NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
10661 |
1q38   |
cing | 1-original | 5 | XPLOR/CNS | peak |
REMARK noe peaks generated by Felix 99.0 from ana_0418.dba database
REMARK using 0.150E+00 seconds mixing time
REMARK vweak < 4.2 , upper limit 6.0
REMARK weak < 3.6 , upper limit 5.0
REMARK medium < 3.0 , upper limit 3.6
REMARK strong < 2.5 , upper limit 2.7
REMARK dnoe: 2.922093 position 4.507861 3.708524
ASSI { 2 }
( attr rmsd >= 3.648524 and attr rmsd <= 3.768524 )
(( attr rmsd >= 4.467861 and attr rmsd <= 4.547861 )
and bondedto ( attr rmsd >= 49.91522 and attr rmsd <= 51.51522 ))
3.0 3.0 0.5999999
peak 2 ppm1 3.708524 ppm2 4.507861 volume 12200000 weight 1.0
REMARK dnoe: 3.010607 position 4.508025 3.554088
ASSI { 3 }
( attr rmsd >= 3.494088 and attr rmsd <= 3.614088 )
(( attr rmsd >= 4.468025 and attr rmsd <= 4.548025 )
and bondedto ( attr rmsd >= 49.91522 and attr rmsd <= 51.51522 ))
3.6 3.6 1.4
peak 3 ppm1 3.554088 ppm2 4.508025 volume 10200000 weight 1.0
REMARK dnoe: 2.795897 position 4.506759 1.265165
ASSI { 4 }
( attr rmsd >= 1.205165 and attr rmsd <= 1.325165 )
(( attr rmsd >= 4.466759 and attr rmsd <= 4.546759 )
and bondedto ( attr rmsd >= 49.93885 and attr rmsd <= 51.53885 ))
3.0 3.0 0.5999999
peak 4 ppm1 1.265165 ppm2 4.506759 volume 15899999 weight 1.0
REMARK dnoe: 2.823181 position 3.931607 4.765886
ASSI { 5 }
( attr rmsd >= 4.705886 and attr rmsd <= 4.825886 )
(( attr rmsd >= 3.891607 and attr rmsd <= 3.971607 )
and bondedto ( attr rmsd >= 50.01738 and attr rmsd <= 51.61738 ))
3.0 3.0 0.5999999
peak 5 ppm1 4.765886 ppm2 3.931607 volume 15000001 weight 1.0
REMARK dnoe: 2.807795 position 3.689429 4.765886
ASSI { 6 }
( attr rmsd >= 4.705886 and attr rmsd <= 4.825886 )
(( attr rmsd >= 3.649429 and attr rmsd <= 3.729429 )
and bondedto ( attr rmsd >= 50.01738 and attr rmsd <= 51.61738 ))
3.0 3.0 0.5999999
peak 6 ppm1 4.765886 ppm2 3.689429 volume 15500000 weight 1.0
REMARK dnoe: 2.58762 position 3.927738 3.690888
ASSI { 7 }
( attr rmsd >= 3.630888 and attr rmsd <= 3.750888 )
(( attr rmsd >= 3.887738 and attr rmsd <= 3.967738 )
and bondedto ( attr rmsd >= 50.02831 and attr rmsd <= 51.62831 ))
3.0 3.0 0.5999999
peak 7 ppm1 3.690888 ppm2 3.927738 volume 25300000 weight 1.0
REMARK dnoe: 2.536763 position 3.685888 3.917612
ASSI { 8 }
( attr rmsd >= 3.857612 and attr rmsd <= 3.977612 )
(( attr rmsd >= 3.645888 and attr rmsd <= 3.725888 )
and bondedto ( attr rmsd >= 50.07447 and attr rmsd <= 51.67447 ))
3.0 3.0 0.5999999
peak 8 ppm1 3.917612 ppm2 3.685888 volume 28500000 weight 1.0
REMARK dnoe: 2.914185 position 3.525216 4.25379
ASSI { 9 }
( attr rmsd >= 4.19379 and attr rmsd <= 4.31379 )
(( attr rmsd >= 3.485216 and attr rmsd <= 3.565216 )
and bondedto ( attr rmsd >= 50.01891 and attr rmsd <= 51.61891 ))
3.0 3.0 0.5999999
peak 9 ppm1 4.25379 ppm2 3.525216 volume 12400000 weight 1.0
REMARK dnoe: 2.422271 position 3.521042 3.798385
ASSI { 10 }
( attr rmsd >= 3.738385 and attr rmsd <= 3.858385 )
(( attr rmsd >= 3.481042 and attr rmsd <= 3.561042 )
and bondedto ( attr rmsd >= 50.00797 and attr rmsd <= 51.60797 ))
2.5 2.5 0.2
peak 10 ppm1 3.798385 ppm2 3.521042 volume 37600000 weight 1.0
REMARK dnoe: 3.127241 position 3.797902 4.593899
ASSI { 11 }
( attr rmsd >= 4.533899 and attr rmsd <= 4.653899 )
(( attr rmsd >= 3.757902 and attr rmsd <= 3.837902 )
and bondedto ( attr rmsd >= 50.06069 and attr rmsd <= 51.66069 ))
3.6 3.6 1.4
peak 11 ppm1 4.593899 ppm2 3.797902 volume 8120000 weight 1.0
REMARK dnoe: 2.859246 position 3.808572 4.271384
ASSI { 12 }
( attr rmsd >= 4.211384 and attr rmsd <= 4.331384 )
(( attr rmsd >= 3.768572 and attr rmsd <= 3.848572 )
and bondedto ( attr rmsd >= 50.03072 and attr rmsd <= 51.63072 ))
3.0 3.0 0.5999999
peak 12 ppm1 4.271384 ppm2 3.808572 volume 13900000 weight 1.0
REMARK dnoe: 2.327284 position 3.803835 3.516945
ASSI { 13 }
( attr rmsd >= 3.456945 and attr rmsd <= 3.576945 )
(( attr rmsd >= 3.763835 and attr rmsd <= 3.843835 )
and bondedto ( attr rmsd >= 49.68598 and attr rmsd <= 51.28598 ))
2.5 2.5 0.2
peak 13 ppm1 3.516945 ppm2 3.803835 volume 47800000 weight 1.0
REMARK dnoe: 1.699687 position 3.708398 3.565796
ASSI { 14 }
( attr rmsd >= 3.505796 and attr rmsd <= 3.625796 )
(( attr rmsd >= 3.668398 and attr rmsd <= 3.748398 )
and bondedto ( attr rmsd >= 49.76691 and attr rmsd <= 51.36691 ))
2.5 2.5 0.2
peak 14 ppm1 3.565796 ppm2 3.708398 volume 315000000 weight 1.0
REMARK dnoe: 3.023084 position 3.644219 4.591944
ASSI { 15 }
( attr rmsd >= 4.531944 and attr rmsd <= 4.651944 )
(( attr rmsd >= 3.604219 and attr rmsd <= 3.684219 )
and bondedto ( attr rmsd >= 50.07097 and attr rmsd <= 51.67097 ))
3.6 3.6 1.4
peak 15 ppm1 4.591944 ppm2 3.644219 volume 9950000 weight 1.0
REMARK dnoe: 2.316899 position 3.712197 4.520923
ASSI { 16 }
( attr rmsd >= 4.460923 and attr rmsd <= 4.580923 )
(( attr rmsd >= 3.672197 and attr rmsd <= 3.752197 )
and bondedto ( attr rmsd >= 49.81285 and attr rmsd <= 51.41285 ))
2.5 2.5 0.2
peak 16 ppm1 4.520923 ppm2 3.712197 volume 49100000 weight 1.0
REMARK dnoe: 2.397419 position 3.581025 4.531342
ASSI { 17 }
( attr rmsd >= 4.471342 and attr rmsd <= 4.591342 )
(( attr rmsd >= 3.541025 and attr rmsd <= 3.621025 )
and bondedto ( attr rmsd >= 49.78310 and attr rmsd <= 51.38310 ))
2.5 2.5 0.2
peak 17 ppm1 4.531342 ppm2 3.581025 volume 40000000 weight 1.0
REMARK dnoe: 3.020559 position 3.646095 4.1209
ASSI { 18 }
( attr rmsd >= 4.0609 and attr rmsd <= 4.1809 )
(( attr rmsd >= 3.606095 and attr rmsd <= 3.686095 )
and bondedto ( attr rmsd >= 50.03531 and attr rmsd <= 51.63531 ))
3.6 3.6 1.4
peak 18 ppm1 4.1209 ppm2 3.646095 volume 10000000 weight 1.0
REMARK dnoe: 1.867577 position 3.644102 3.798385
ASSI { 19 }
( attr rmsd >= 3.738385 and attr rmsd <= 3.858385 )
(( attr rmsd >= 3.604102 and attr rmsd <= 3.684102 )
and bondedto ( attr rmsd >= 50.03094 and attr rmsd <= 51.63094 ))
2.5 2.5 0.2
peak 19 ppm1 3.798385 ppm2 3.644102 volume 179000000 weight 1.0
REMARK dnoe: 3.172449 position 3.801279 4.12481
ASSI { 20 }
( attr rmsd >= 4.06481 and attr rmsd <= 4.18481 )
(( attr rmsd >= 3.761279 and attr rmsd <= 3.841279 )
and bondedto ( attr rmsd >= 50.02131 and attr rmsd <= 51.62131 ))
3.6 3.6 1.4
peak 20 ppm1 4.12481 ppm2 3.801279 volume 7450000 weight 1.0
REMARK dnoe: 2.095894 position 3.798113 3.649856
ASSI { 21 }
( attr rmsd >= 3.589856 and attr rmsd <= 3.709856 )
(( attr rmsd >= 3.758113 and attr rmsd <= 3.838113 )
and bondedto ( attr rmsd >= 49.86513 and attr rmsd <= 51.46513 ))
2.5 2.5 0.2
peak 21 ppm1 3.649856 ppm2 3.798113 volume 89600000 weight 1.0
REMARK dnoe: 2.951012 position 3.929028 2.05926
ASSI { 22 }
( attr rmsd >= 1.99926 and attr rmsd <= 2.11926 )
(( attr rmsd >= 3.889028 and attr rmsd <= 3.969028 )
and bondedto ( attr rmsd >= 49.99856 and attr rmsd <= 51.59856 ))
3.0 3.0 0.5999999
peak 22 ppm1 2.05926 ppm2 3.929028 volume 11500000 weight 1.0
REMARK dnoe: 2.601515 position 3.929028 1.924737
ASSI { 23 }
( attr rmsd >= 1.864737 and attr rmsd <= 1.984737 )
(( attr rmsd >= 3.889028 and attr rmsd <= 3.969028 )
and bondedto ( attr rmsd >= 49.99397 and attr rmsd <= 51.59397 ))
3.0 3.0 0.5999999
peak 23 ppm1 1.924737 ppm2 3.929028 volume 24500000 weight 1.0
REMARK dnoe: 2.548829 position 3.79877 1.86942
ASSI { 24 }
( attr rmsd >= 1.80942 and attr rmsd <= 1.92942 )
(( attr rmsd >= 3.75877 and attr rmsd <= 3.83877 )
and bondedto ( attr rmsd >= 50.00885 and attr rmsd <= 51.60885 ))
3.0 3.0 0.5999999
peak 24 ppm1 1.86942 ppm2 3.79877 volume 27700002 weight 1.0
REMARK dnoe: 2.07628 position 3.674819 1.92783
ASSI { 25 }
( attr rmsd >= 1.86783 and attr rmsd <= 1.98783 )
(( attr rmsd >= 3.634819 and attr rmsd <= 3.714819 )
and bondedto ( attr rmsd >= 49.73695 and attr rmsd <= 51.33695 ))
2.5 2.5 0.2
peak 25 ppm1 1.92783 ppm2 3.674819 volume 94800000 weight 1.0
REMARK dnoe: 2.085172 position 3.599057 1.942761
ASSI { 26 }
( attr rmsd >= 1.882761 and attr rmsd <= 2.002761 )
(( attr rmsd >= 3.559057 and attr rmsd <= 3.639057 )
and bondedto ( attr rmsd >= 49.76079 and attr rmsd <= 51.36079 ))
2.5 2.5 0.2
peak 26 ppm1 1.942761 ppm2 3.599057 volume 92400000 weight 1.0
REMARK dnoe: 2.411697 position 3.53197 1.999603
ASSI { 27 }
( attr rmsd >= 1.939603 and attr rmsd <= 2.059603 )
(( attr rmsd >= 3.49197 and attr rmsd <= 3.57197 )
and bondedto ( attr rmsd >= 50.10750 and attr rmsd <= 51.70750 ))
2.5 2.5 0.2
peak 27 ppm1 1.999603 ppm2 3.53197 volume 38600000 weight 1.0
REMARK dnoe: 2.475531 position 3.79877 1.997197
ASSI { 28 }
( attr rmsd >= 1.937197 and attr rmsd <= 2.057197 )
(( attr rmsd >= 3.75877 and attr rmsd <= 3.83877 )
and bondedto ( attr rmsd >= 50.00885 and attr rmsd <= 51.60885 ))
2.5 2.5 0.2
peak 28 ppm1 1.997197 ppm2 3.79877 volume 33000002 weight 1.0
REMARK dnoe: 2.873195 position 3.693743 2.199239
ASSI { 29 }
( attr rmsd >= 2.139239 and attr rmsd <= 2.259239 )
(( attr rmsd >= 3.653743 and attr rmsd <= 3.733743 )
and bondedto ( attr rmsd >= 49.93513 and attr rmsd <= 51.53513 ))
3.0 3.0 0.5999999
peak 29 ppm1 2.199239 ppm2 3.693743 volume 13500001 weight 1.0
REMARK dnoe: 3.258911 position 3.65381 1.167828
ASSI { 30 }
( attr rmsd >= 1.107828 and attr rmsd <= 1.227828 )
(( attr rmsd >= 3.61381 and attr rmsd <= 3.69381 )
and bondedto ( attr rmsd >= 50.08278 and attr rmsd <= 51.68278 ))
3.6 3.6 1.4
peak 30 ppm1 1.167828 ppm2 3.65381 volume 6340000 weight 1.0
REMARK dnoe: 3.412426 position 3.805077 1.16583
ASSI { 31 }
( attr rmsd >= 1.10583 and attr rmsd <= 1.22583 )
(( attr rmsd >= 3.765077 and attr rmsd <= 3.845077 )
and bondedto ( attr rmsd >= 50.11384 and attr rmsd <= 51.71384 ))
3.6 3.6 1.4
peak 31 ppm1 1.16583 ppm2 3.805077 volume 4810000 weight 1.0
REMARK dnoe: 3.541418 position 3.811385 0.7695882
ASSI { 32 }
( attr rmsd >= 0.7095882 and attr rmsd <= 0.8295882 )
(( attr rmsd >= 3.771385 and attr rmsd <= 3.851385 )
and bondedto ( attr rmsd >= 50.14228 and attr rmsd <= 51.74228 ))
3.6 3.6 1.4
peak 32 ppm1 0.7695882 ppm2 3.811385 volume 3850000 weight 1.0
REMARK dnoe: 3.197244 position 3.527772 0.7573857
ASSI { 33 }
( attr rmsd >= 0.6973857 and attr rmsd <= 0.8173857 )
(( attr rmsd >= 3.487772 and attr rmsd <= 3.567772 )
and bondedto ( attr rmsd >= 50.06550 and attr rmsd <= 51.66550 ))
3.6 3.6 1.4
peak 33 ppm1 0.7573857 ppm2 3.527772 volume 7110001 weight 1.0
REMARK dnoe: 3.220299 position 3.529859 0.5892224
ASSI { 34 }
( attr rmsd >= 0.5292224 and attr rmsd <= 0.6492224 )
(( attr rmsd >= 3.489859 and attr rmsd <= 3.569859 )
and bondedto ( attr rmsd >= 50.01519 and attr rmsd <= 51.61519 ))
3.6 3.6 1.4
peak 34 ppm1 0.5892224 ppm2 3.529859 volume 6810000 weight 1.0
REMARK dnoe: 3.253799 position 3.809275 0.5955377
ASSI { 35 }
( attr rmsd >= 0.5355377 and attr rmsd <= 0.6555377 )
(( attr rmsd >= 3.769275 and attr rmsd <= 3.849275 )
and bondedto ( attr rmsd >= 50.14228 and attr rmsd <= 51.74228 ))
3.6 3.6 1.4
peak 35 ppm1 0.5955377 ppm2 3.809275 volume 6400000 weight 1.0
REMARK dnoe: 3.606762 position 3.803225 2.223084
ASSI { 36 }
( attr rmsd >= 2.163084 and attr rmsd <= 2.283084 )
(( attr rmsd >= 3.763225 and attr rmsd <= 3.843225 )
and bondedto ( attr rmsd >= 50.04691 and attr rmsd <= 51.64691 ))
4.2 4.2 1.8
peak 36 ppm1 2.223084 ppm2 3.803225 volume 3450000 weight 1.0
REMARK dnoe: 3.564952 position 3.926073 1.685703
ASSI { 37 }
( attr rmsd >= 1.625703 and attr rmsd <= 1.745703 )
(( attr rmsd >= 3.886073 and attr rmsd <= 3.966073 )
and bondedto ( attr rmsd >= 50.12368 and attr rmsd <= 51.72368 ))
3.6 3.6 1.4
peak 37 ppm1 1.685703 ppm2 3.926073 volume 3700000 weight 1.0
REMARK dnoe: 3.26408 position 3.688186 1.679087
ASSI { 38 }
( attr rmsd >= 1.619087 and attr rmsd <= 1.739087 )
(( attr rmsd >= 3.648186 and attr rmsd <= 3.728186 )
and bondedto ( attr rmsd >= 50.13550 and attr rmsd <= 51.73550 ))
3.6 3.6 1.4
peak 38 ppm1 1.679087 ppm2 3.688186 volume 6280000 weight 1.0
REMARK dnoe: 3.553834 position 3.930365 2.214642
ASSI { 39 }
( attr rmsd >= 2.154642 and attr rmsd <= 2.274642 )
(( attr rmsd >= 3.890365 and attr rmsd <= 3.970365 )
and bondedto ( attr rmsd >= 50.06200 and attr rmsd <= 51.66200 ))
3.6 3.6 1.4
peak 39 ppm1 2.214642 ppm2 3.930365 volume 3770000 weight 1.0
REMARK dnoe: 2.959654 position 1.514883 9.413229
ASSI { 40 }
( attr rmsd >= 9.353229 and attr rmsd <= 9.473229 )
(( attr rmsd >= 1.474883 and attr rmsd <= 1.554883 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.0 3.0 0.5999999
peak 40 ppm1 9.413229 ppm2 1.514883 volume 11300000 weight 1.0
REMARK dnoe: 3.516007 position 1.521097 9.090994
ASSI { 41 }
( attr rmsd >= 9.030993 and attr rmsd <= 9.150994 )
(( attr rmsd >= 1.481097 and attr rmsd <= 1.561097 )
and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
3.6 3.6 1.4
peak 41 ppm1 9.090994 ppm2 1.521097 volume 4020000 weight 1.0
REMARK dnoe: 2.726206 position 1.518611 8.49808
ASSI { 42 }
( attr rmsd >= 8.43808 and attr rmsd <= 8.558081 )
(( attr rmsd >= 1.478611 and attr rmsd <= 1.558611 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.0 3.0 0.5999999
peak 42 ppm1 8.49808 ppm2 1.518611 volume 18500000 weight 1.0
REMARK dnoe: 3.360874 position 1.514883 6.577558
ASSI { 43 }
( attr rmsd >= 6.517558 and attr rmsd <= 6.637558 )
(( attr rmsd >= 1.474883 and attr rmsd <= 1.554883 )
and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
3.6 3.6 1.4
peak 43 ppm1 6.577558 ppm2 1.514883 volume 5270000 weight 1.0
REMARK dnoe: 2.596243 position 1.511061 6.805636
ASSI { 45 }
( attr rmsd >= 6.745636 and attr rmsd <= 6.865636 )
(( attr rmsd >= 1.471061 and attr rmsd <= 1.551061 )
and bondedto ( attr rmsd >= 21.90138 and attr rmsd <= 23.50138 ))
3.0 3.0 0.5999999
peak 45 ppm1 6.805636 ppm2 1.511061 volume 24800000 weight 1.0
REMARK dnoe: 3.118973 position 0.7149749 6.875453
ASSI { 46 }
( attr rmsd >= 6.815453 and attr rmsd <= 6.935453 )
(( attr rmsd >= 0.6749749 and attr rmsd <= 0.7549749 )
and bondedto ( attr rmsd >= 22.06631 and attr rmsd <= 23.66631 ))
3.6 3.6 1.4
peak 46 ppm1 6.875453 ppm2 0.7149749 volume 8250000 weight 1.0
REMARK dnoe: 2.855832 position 0.7148812 7.140396
ASSI { 47 }
( attr rmsd >= 7.080396 and attr rmsd <= 7.200396 )
(( attr rmsd >= 0.6748812 and attr rmsd <= 0.7548812 )
and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
3.0 3.0 0.5999999
peak 47 ppm1 7.140396 ppm2 0.7148812 volume 14000000 weight 1.0
REMARK dnoe: 3.736686 position 0.7174137 6.577558
ASSI { 48 }
( attr rmsd >= 6.517558 and attr rmsd <= 6.637558 )
(( attr rmsd >= 0.6774137 and attr rmsd <= 0.7574137 )
and bondedto ( attr rmsd >= 22.19865 and attr rmsd <= 23.79865 ))
4.2 4.2 1.8
peak 48 ppm1 6.577558 ppm2 0.7174137 volume 0.279e+07 weight 1.0
REMARK dnoe: 3.383729 position 0.7149749 8.102676
ASSI { 49 }
( attr rmsd >= 8.042676 and attr rmsd <= 8.162677 )
(( attr rmsd >= 0.6749749 and attr rmsd <= 0.7549749 )
and bondedto ( attr rmsd >= 22.04882 and attr rmsd <= 23.64882 ))
3.6 3.6 1.4
peak 49 ppm1 8.102676 ppm2 0.7149749 volume 5060000 weight 1.0
REMARK dnoe: 2.784343 position 1.511061 7.029053
ASSI { 50 }
( attr rmsd >= 6.969053 and attr rmsd <= 7.089053 )
(( attr rmsd >= 1.471061 and attr rmsd <= 1.551061 )
and bondedto ( attr rmsd >= 22.00026 and attr rmsd <= 23.60026 ))
3.0 3.0 0.5999999
peak 50 ppm1 7.029053 ppm2 1.511061 volume 16300000 weight 1.0
REMARK dnoe: 3.221087 position 1.509701 7.318699
ASSI { 51 }
( attr rmsd >= 7.258699 and attr rmsd <= 7.378699 )
(( attr rmsd >= 1.469701 and attr rmsd <= 1.549701 )
and bondedto ( attr rmsd >= 22.02235 and attr rmsd <= 23.62235 ))
3.6 3.6 1.4
peak 51 ppm1 7.318699 ppm2 1.509701 volume 6800000 weight 1.0
REMARK dnoe: 3.920995 position 1.145166 9.456194
ASSI { 52 }
( attr rmsd >= 9.396194 and attr rmsd <= 9.516194 )
(( attr rmsd >= 1.105166 and attr rmsd <= 1.185166 )
and bondedto ( attr rmsd >= 22.28680 and attr rmsd <= 23.88680 ))
4.2 4.2 1.8
peak 52 ppm1 9.456194 ppm2 1.145166 volume 0.209e+07 weight 1.0
REMARK dnoe: 3.656084 position 1.14465 8.635568
ASSI { 53 }
( attr rmsd >= 8.575567 and attr rmsd <= 8.695568 )
(( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )
and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
4.2 4.2 1.8
peak 53 ppm1 8.635568 ppm2 1.14465 volume 3180000 weight 1.0
REMARK dnoe: 3.5131 position 1.14465 6.895496
ASSI { 54 }
( attr rmsd >= 6.835496 and attr rmsd <= 6.955496 )
(( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
3.6 3.6 1.4
peak 54 ppm1 6.895496 ppm2 1.14465 volume 0.404e+07 weight 1.0
REMARK dnoe: 4.418966 position 1.14465 6.586151
ASSI { 55 }
( attr rmsd >= 6.526151 and attr rmsd <= 6.646151 )
(( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )
and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
4.2 4.2 1.8
peak 55 ppm1 6.586151 ppm2 1.14465 volume 1020000 weight 1.0
REMARK dnoe: 3.620893 position 1.150372 6.760158
ASSI { 56 }
( attr rmsd >= 6.700158 and attr rmsd <= 6.820158 )
(( attr rmsd >= 1.110372 and attr rmsd <= 1.190372 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
4.2 4.2 1.8
peak 56 ppm1 6.760158 ppm2 1.150372 volume 3370000 weight 1.0
REMARK dnoe: 3.310483 position 1.509795 7.179064
ASSI { 57 }
( attr rmsd >= 7.119064 and attr rmsd <= 7.239064 )
(( attr rmsd >= 1.469795 and attr rmsd <= 1.549795 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.6 3.6 1.4
peak 57 ppm1 7.179064 ppm2 1.509795 volume 5770000 weight 1.0
REMARK dnoe: 2.363231 position 1.510803 4.788636
ASSI { 58 }
( attr rmsd >= 4.728636 and attr rmsd <= 4.848636 )
(( attr rmsd >= 1.470803 and attr rmsd <= 1.550803 )
and bondedto ( attr rmsd >= 21.89941 and attr rmsd <= 23.49941 ))
2.5 2.5 0.2
peak 58 ppm1 4.788636 ppm2 1.510803 volume 43600000 weight 1.0
REMARK dnoe: 2.498781 position 0.7176721 3.832113
ASSI { 59 }
( attr rmsd >= 3.772113 and attr rmsd <= 3.892113 )
(( attr rmsd >= 0.6776721 and attr rmsd <= 0.7576721 )
and bondedto ( attr rmsd >= 22.19865 and attr rmsd <= 23.79865 ))
2.5 2.5 0.2
peak 59 ppm1 3.832113 ppm2 0.7176721 volume 31200000 weight 1.0
REMARK dnoe: 3.080376 position 0.7143888 4.719334
ASSI { 60 }
( attr rmsd >= 4.659334 and attr rmsd <= 4.779334 )
(( attr rmsd >= 0.6743888 and attr rmsd <= 0.7543888 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
3.6 3.6 1.4
peak 60 ppm1 4.719334 ppm2 0.7143888 volume 8890000 weight 1.0
REMARK dnoe: 2.955311 position 1.143947 4.712889
ASSI { 62 }
( attr rmsd >= 4.652889 and attr rmsd <= 4.772889 )
(( attr rmsd >= 1.103947 and attr rmsd <= 1.183947 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
3.0 3.0 0.5999999
peak 62 ppm1 4.712889 ppm2 1.143947 volume 11400000 weight 1.0
REMARK dnoe: 2.781506 position 1.142564 4.498066
ASSI { 63 }
( attr rmsd >= 4.438066 and attr rmsd <= 4.558066 )
(( attr rmsd >= 1.102564 and attr rmsd <= 1.182564 )
and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
3.0 3.0 0.5999999
peak 63 ppm1 4.498066 ppm2 1.142564 volume 16400000 weight 1.0
REMARK dnoe: 2.770357 position 1.145166 4.311169
ASSI { 64 }
( attr rmsd >= 4.251169 and attr rmsd <= 4.371169 )
(( attr rmsd >= 1.105166 and attr rmsd <= 1.185166 )
and bondedto ( attr rmsd >= 22.24284 and attr rmsd <= 23.84284 ))
3.0 3.0 0.5999999
peak 64 ppm1 4.311169 ppm2 1.145166 volume 16800000 weight 1.0
REMARK dnoe: 3.373801 position 1.511624 5.624557
ASSI { 65 }
( attr rmsd >= 5.564557 and attr rmsd <= 5.684557 )
(( attr rmsd >= 1.471624 and attr rmsd <= 1.551624 )
and bondedto ( attr rmsd >= 22.00835 and attr rmsd <= 23.60835 ))
3.6 3.6 1.4
peak 65 ppm1 5.624557 ppm2 1.511624 volume 5150000 weight 1.0
REMARK dnoe: 4.00878 position 1.514086 4.290718
ASSI { 66 }
( attr rmsd >= 4.230718 and attr rmsd <= 4.350718 )
(( attr rmsd >= 1.474086 and attr rmsd <= 1.554086 )
and bondedto ( attr rmsd >= 21.95694 and attr rmsd <= 23.55694 ))
4.2 4.2 1.8
peak 66 ppm1 4.290718 ppm2 1.514086 volume 1830000 weight 1.0
REMARK dnoe: 3.78574 position 1.510803 3.955744
ASSI { 67 }
( attr rmsd >= 3.895744 and attr rmsd <= 4.015744 )
(( attr rmsd >= 1.470803 and attr rmsd <= 1.550803 )
and bondedto ( attr rmsd >= 21.87994 and attr rmsd <= 23.47994 ))
4.2 4.2 1.8
peak 67 ppm1 3.955744 ppm2 1.510803 volume 0.258e+07 weight 1.0
REMARK dnoe: 3.606762 position 0.7209315 2.987856
ASSI { 68 }
( attr rmsd >= 2.927856 and attr rmsd <= 3.047856 )
(( attr rmsd >= 0.6809314 and attr rmsd <= 0.7609315 )
and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
4.2 4.2 1.8
peak 68 ppm1 2.987856 ppm2 0.7209315 volume 3450000 weight 1.0
REMARK dnoe: 3.933644 position 1.15811 4.97927
ASSI { 69 }
( attr rmsd >= 4.91927 and attr rmsd <= 5.03927 )
(( attr rmsd >= 1.11811 and attr rmsd <= 1.19811 )
and bondedto ( attr rmsd >= 22.35309 and attr rmsd <= 23.95309 ))
4.2 4.2 1.8
peak 69 ppm1 4.97927 ppm2 1.15811 volume 2050000 weight 1.0
REMARK dnoe: 3.693818 position 1.144346 3.927043
ASSI { 70 }
( attr rmsd >= 3.867043 and attr rmsd <= 3.987043 )
(( attr rmsd >= 1.104346 and attr rmsd <= 1.184346 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
4.2 4.2 1.8
peak 70 ppm1 3.927043 ppm2 1.144346 volume 2990000 weight 1.0
REMARK dnoe: 3.652266 position 1.151685 2.190861
ASSI { 72 }
( attr rmsd >= 2.130861 and attr rmsd <= 2.250861 )
(( attr rmsd >= 1.111685 and attr rmsd <= 1.191685 )
and bondedto ( attr rmsd >= 22.35309 and attr rmsd <= 23.95309 ))
4.2 4.2 1.8
peak 72 ppm1 2.190861 ppm2 1.151685 volume 3200000 weight 1.0
REMARK dnoe: 3.708431 position 1.154194 1.93522
ASSI { 73 }
( attr rmsd >= 1.87522 and attr rmsd <= 1.99522 )
(( attr rmsd >= 1.114194 and attr rmsd <= 1.194194 )
and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
4.2 4.2 1.8
peak 73 ppm1 1.93522 ppm2 1.154194 volume 2920000 weight 1.0
REMARK dnoe: 3.523349 position 1.140242 1.767658
ASSI { 74 }
( attr rmsd >= 1.707658 and attr rmsd <= 1.827658 )
(( attr rmsd >= 1.100242 and attr rmsd <= 1.180242 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
3.6 3.6 1.4
peak 74 ppm1 1.767658 ppm2 1.140242 volume 0.397e+07 weight 1.0
REMARK dnoe: 3.251264 position 1.148613 1.58291
ASSI { 75 }
( attr rmsd >= 1.52291 and attr rmsd <= 1.64291 )
(( attr rmsd >= 1.108613 and attr rmsd <= 1.188613 )
and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
3.6 3.6 1.4
peak 75 ppm1 1.58291 ppm2 1.148613 volume 6430000 weight 1.0
REMARK dnoe: 3.21794 position 1.145823 1.385273
ASSI { 76 }
( attr rmsd >= 1.325273 and attr rmsd <= 1.445273 )
(( attr rmsd >= 1.105823 and attr rmsd <= 1.185823 )
and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
3.6 3.6 1.4
peak 76 ppm1 1.385273 ppm2 1.145823 volume 6840000 weight 1.0
REMARK dnoe: 3.496003 position 1.143173 0.4035287
ASSI { 78 }
( attr rmsd >= 0.3435287 and attr rmsd <= 0.4635287 )
(( attr rmsd >= 1.103173 and attr rmsd <= 1.183173 )
and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
3.6 3.6 1.4
peak 78 ppm1 0.4035287 ppm2 1.143173 volume 4160000 weight 1.0
REMARK dnoe: 3.58293 position 1.140242 -0.1700506
ASSI { 79 }
( attr rmsd >= -0.2300506 and attr rmsd <= -0.1100506 )
(( attr rmsd >= 1.100242 and attr rmsd <= 1.180242 )
and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
3.6 3.6 1.4
peak 79 ppm1 -0.1700506 ppm2 1.140242 volume 3590000 weight 1.0
REMARK dnoe: 3.173159 position 1.509115 -0.0411563
ASSI { 80 }
( attr rmsd >= -0.1011563 and attr rmsd <= 0.0188437 )
(( attr rmsd >= 1.469115 and attr rmsd <= 1.549115 )
and bondedto ( attr rmsd >= 22.00026 and attr rmsd <= 23.60026 ))
3.6 3.6 1.4
peak 80 ppm1 -0.0411563 ppm2 1.509115 volume 7440000 weight 1.0
REMARK dnoe: 2.968476 position 1.509138 0.2638931
ASSI { 81 }
( attr rmsd >= 0.2038931 and attr rmsd <= 0.3238931 )
(( attr rmsd >= 1.469138 and attr rmsd <= 1.549138 )
and bondedto ( attr rmsd >= 22.11050 and attr rmsd <= 23.71050 ))
3.0 3.0 0.5999999
peak 81 ppm1 0.2638931 ppm2 1.509138 volume 11100000 weight 1.0
REMARK dnoe: 2.930154 position 1.508833 0.5517569
ASSI { 82 }
( attr rmsd >= 0.4917569 and attr rmsd <= 0.6117569 )
(( attr rmsd >= 1.468833 and attr rmsd <= 1.548833 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.0 3.0 0.5999999
peak 82 ppm1 0.5517569 ppm2 1.508833 volume 12000000 weight 1.0
REMARK dnoe: 2.804787 position 1.510006 1.082371
ASSI { 83 }
( attr rmsd >= 1.022371 and attr rmsd <= 1.142371 )
(( attr rmsd >= 1.470006 and attr rmsd <= 1.550006 )
and bondedto ( attr rmsd >= 21.95607 and attr rmsd <= 23.55607 ))
3.0 3.0 0.5999999
peak 83 ppm1 1.082371 ppm2 1.510006 volume 15600000 weight 1.0
REMARK dnoe: 3.025623 position 1.511085 0.9685144
ASSI { 84 }
( attr rmsd >= 0.9085144 and attr rmsd <= 1.028514 )
(( attr rmsd >= 1.471085 and attr rmsd <= 1.551085 )
and bondedto ( attr rmsd >= 22.06631 and attr rmsd <= 23.66631 ))
3.6 3.6 1.4
peak 84 ppm1 0.9685144 ppm2 1.511085 volume 9900000 weight 1.0
REMARK dnoe: 2.59277 position 1.509842 1.782696
ASSI { 85 }
( attr rmsd >= 1.722696 and attr rmsd <= 1.842696 )
(( attr rmsd >= 1.469842 and attr rmsd <= 1.549842 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.0 3.0 0.5999999
peak 85 ppm1 1.782696 ppm2 1.509842 volume 25000000 weight 1.0
REMARK dnoe: 2.30683 position 0.7142951 0.1049242
ASSI { 87 }
( attr rmsd >= 0.0449242 and attr rmsd <= 0.1649242 )
(( attr rmsd >= 0.6742951 and attr rmsd <= 0.7542951 )
and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
2.5 2.5 0.2
peak 87 ppm1 0.1049242 ppm2 0.7142951 volume 50400000 weight 1.0
REMARK dnoe: 2.991367 position 0.7116926 1.050148
ASSI { 88 }
( attr rmsd >= 0.990148 and attr rmsd <= 1.110148 )
(( attr rmsd >= 0.6716926 and attr rmsd <= 0.7516926 )
and bondedto ( attr rmsd >= 22.13260 and attr rmsd <= 23.73260 ))
3.0 3.0 0.5999999
peak 88 ppm1 1.050148 ppm2 0.7116926 volume 10600000 weight 1.0
REMARK dnoe: 2.820057 position 0.7139902 1.438978
ASSI { 89 }
( attr rmsd >= 1.378978 and attr rmsd <= 1.498978 )
(( attr rmsd >= 0.6739902 and attr rmsd <= 0.7539902 )
and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
3.0 3.0 0.5999999
peak 89 ppm1 1.438978 ppm2 0.7139902 volume 15099999 weight 1.0
REMARK dnoe: 2.386604 position 0.7145298 1.69247
ASSI { 91 }
( attr rmsd >= 1.63247 and attr rmsd <= 1.75247 )
(( attr rmsd >= 0.6745298 and attr rmsd <= 0.7545298 )
and bondedto ( attr rmsd >= 22.13260 and attr rmsd <= 23.73260 ))
2.5 2.5 0.2
peak 91 ppm1 1.69247 ppm2 0.7145298 volume 41100000 weight 1.0
REMARK dnoe: 2.281161 position 0.7149284 1.849291
ASSI { 92 }
( attr rmsd >= 1.789291 and attr rmsd <= 1.909291 )
(( attr rmsd >= 0.6749284 and attr rmsd <= 0.7549284 )
and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
2.5 2.5 0.2
peak 92 ppm1 1.849291 ppm2 0.7149284 volume 53899996 weight 1.0
REMARK dnoe: 3.178882 position 1.518729 0.1650743
ASSI { 93 }
( attr rmsd >= 0.1050743 and attr rmsd <= 0.2250743 )
(( attr rmsd >= 1.478729 and attr rmsd <= 1.558729 )
and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
3.6 3.6 1.4
peak 93 ppm1 0.1650743 ppm2 1.518729 volume 7360000 weight 1.0
REMARK dnoe: 2.736156 position 3.969453 4.978755
ASSI { 94 }
( attr rmsd >= 4.918755 and attr rmsd <= 5.038755 )
(( attr rmsd >= 3.929453 and attr rmsd <= 4.009453 )
and bondedto ( attr rmsd >= 49.77172 and attr rmsd <= 51.37172 ))
3.0 3.0 0.5999999
peak 94 ppm1 4.978755 ppm2 3.969453 volume 18100000 weight 1.0
REMARK dnoe: 2.938374 position 3.431773 4.978776
ASSI { 95 }
( attr rmsd >= 4.918776 and attr rmsd <= 5.038776 )
(( attr rmsd >= 3.391773 and attr rmsd <= 3.471773 )
and bondedto ( attr rmsd >= 49.76757 and attr rmsd <= 51.36757 ))
3.0 3.0 0.5999999
peak 95 ppm1 4.978776 ppm2 3.431773 volume 11800000 weight 1.0
REMARK dnoe: 3.483554 position 3.983077 6.902307
ASSI { 96 }
( attr rmsd >= 6.842307 and attr rmsd <= 6.962307 )
(( attr rmsd >= 3.943077 and attr rmsd <= 4.023077 )
and bondedto ( attr rmsd >= 49.63370 and attr rmsd <= 51.23370 ))
3.6 3.6 1.4
peak 96 ppm1 6.902307 ppm2 3.983077 volume 4250000 weight 1.0
REMARK dnoe: 3.917877 position 3.436604 6.89163
ASSI { 97 }
( attr rmsd >= 6.83163 and attr rmsd <= 6.95163 )
(( attr rmsd >= 3.396604 and attr rmsd <= 3.476604 )
and bondedto ( attr rmsd >= 49.71945 and attr rmsd <= 51.31945 ))
4.2 4.2 1.8
peak 97 ppm1 6.89163 ppm2 3.436604 volume 2100000 weight 1.0
REMARK dnoe: 3.560158 position 3.977613 6.588514
ASSI { 98 }
( attr rmsd >= 6.528514 and attr rmsd <= 6.648514 )
(( attr rmsd >= 3.937613 and attr rmsd <= 4.017613 )
and bondedto ( attr rmsd >= 49.76079 and attr rmsd <= 51.36079 ))
3.6 3.6 1.4
peak 98 ppm1 6.588514 ppm2 3.977613 volume 3730000 weight 1.0
REMARK dnoe: 3.569793 position 3.432031 6.591887
ASSI { 99 }
( attr rmsd >= 6.531887 and attr rmsd <= 6.651887 )
(( attr rmsd >= 3.392031 and attr rmsd <= 3.472031 )
and bondedto ( attr rmsd >= 49.59914 and attr rmsd <= 51.19914 ))
3.6 3.6 1.4
peak 99 ppm1 6.591887 ppm2 3.432031 volume 0.367e+07 weight 1.0
REMARK dnoe: 2.570956 position 3.968563 3.431445
ASSI { 100 }
( attr rmsd >= 3.371445 and attr rmsd <= 3.491445 )
(( attr rmsd >= 3.928563 and attr rmsd <= 4.008563 )
and bondedto ( attr rmsd >= 49.76210 and attr rmsd <= 51.36210 ))
3.0 3.0 0.5999999
peak 100 ppm1 3.431445 ppm2 3.968563 volume 26300002 weight 1.0
REMARK dnoe: 2.387573 position 3.431867 3.968654
ASSI { 101 }
( attr rmsd >= 3.908654 and attr rmsd <= 4.028654 )
(( attr rmsd >= 3.391867 and attr rmsd <= 3.471867 )
and bondedto ( attr rmsd >= 49.76757 and attr rmsd <= 51.36757 ))
2.5 2.5 0.2
peak 101 ppm1 3.968654 ppm2 3.431867 volume 41000000 weight 1.0
REMARK dnoe: 2.784343 position 3.969852 2.137155
ASSI { 102 }
( attr rmsd >= 2.077155 and attr rmsd <= 2.197155 )
(( attr rmsd >= 3.929852 and attr rmsd <= 4.009852 )
and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
3.0 3.0 0.5999999
peak 102 ppm1 2.137155 ppm2 3.969852 volume 16300000 weight 1.0
REMARK dnoe: 2.579194 position 3.955408 1.853588
ASSI { 104 }
( attr rmsd >= 1.793588 and attr rmsd <= 1.913588 )
(( attr rmsd >= 3.915408 and attr rmsd <= 3.995408 )
and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
3.0 3.0 0.5999999
peak 104 ppm1 1.853588 ppm2 3.955408 volume 25799998 weight 1.0
REMARK dnoe: 2.72867 position 3.974659 1.533501
ASSI { 105 }
( attr rmsd >= 1.473501 and attr rmsd <= 1.593501 )
(( attr rmsd >= 3.934659 and attr rmsd <= 4.014659 )
and bondedto ( attr rmsd >= 49.75860 and attr rmsd <= 51.35860 ))
3.0 3.0 0.5999999
peak 105 ppm1 1.533501 ppm2 3.974659 volume 18400000 weight 1.0
REMARK dnoe: 2.792977 position 3.972244 1.224155
ASSI { 106 }
( attr rmsd >= 1.164155 and attr rmsd <= 1.284155 )
(( attr rmsd >= 3.932244 and attr rmsd <= 4.012244 )
and bondedto ( attr rmsd >= 49.82488 and attr rmsd <= 51.42488 ))
3.0 3.0 0.5999999
peak 106 ppm1 1.224155 ppm2 3.972244 volume 16000000 weight 1.0
REMARK dnoe: 3.214815 position 3.969852 0.7503185
ASSI { 107 }
( attr rmsd >= 0.6903185 and attr rmsd <= 0.8103185 )
(( attr rmsd >= 3.929852 and attr rmsd <= 4.009852 )
and bondedto ( attr rmsd >= 49.78354 and attr rmsd <= 51.38354 ))
3.6 3.6 1.4
peak 107 ppm1 0.7503185 ppm2 3.969852 volume 6880000 weight 1.0
REMARK dnoe: 2.906424 position 3.437753 0.7503185
ASSI { 108 }
( attr rmsd >= 0.6903185 and attr rmsd <= 0.8103185 )
(( attr rmsd >= 3.397753 and attr rmsd <= 3.477753 )
and bondedto ( attr rmsd >= 49.70589 and attr rmsd <= 51.30589 ))
3.0 3.0 0.5999999
peak 108 ppm1 0.7503185 ppm2 3.437753 volume 12600000 weight 1.0
REMARK dnoe: 2.700088 position 3.432922 1.226303
ASSI { 109 }
( attr rmsd >= 1.166303 and attr rmsd <= 1.286303 )
(( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )
and bondedto ( attr rmsd >= 49.75860 and attr rmsd <= 51.35860 ))
3.0 3.0 0.5999999
peak 109 ppm1 1.226303 ppm2 3.432922 volume 19600000 weight 1.0
REMARK dnoe: 2.829504 position 3.435337 1.546025
ASSI { 110 }
( attr rmsd >= 1.486025 and attr rmsd <= 1.606025 )
(( attr rmsd >= 3.395337 and attr rmsd <= 3.475337 )
and bondedto ( attr rmsd >= 49.75160 and attr rmsd <= 51.35160 ))
3.0 3.0 0.5999999
peak 110 ppm1 1.546025 ppm2 3.435337 volume 14800000 weight 1.0
REMARK dnoe: 3.062274 position 3.432922 1.396014
ASSI { 111 }
( attr rmsd >= 1.336014 and attr rmsd <= 1.456014 )
(( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )
and bondedto ( attr rmsd >= 49.78070 and attr rmsd <= 51.38070 ))
3.6 3.6 1.4
peak 111 ppm1 1.396014 ppm2 3.432922 volume 9210000 weight 1.0
REMARK dnoe: 2.427681 position 3.432922 1.847143
ASSI { 112 }
( attr rmsd >= 1.787143 and attr rmsd <= 1.907143 )
(( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )
and bondedto ( attr rmsd >= 49.69254 and attr rmsd <= 51.29254 ))
2.5 2.5 0.2
peak 112 ppm1 1.847143 ppm2 3.432922 volume 37100000 weight 1.0
REMARK dnoe: 2.880351 position 3.435337 2.126714
ASSI { 113 }
( attr rmsd >= 2.066714 and attr rmsd <= 2.186714 )
(( attr rmsd >= 3.395337 and attr rmsd <= 3.475337 )
and bondedto ( attr rmsd >= 49.69998 and attr rmsd <= 51.29998 ))
3.0 3.0 0.5999999
peak 113 ppm1 2.126714 ppm2 3.435337 volume 13300000 weight 1.0
REMARK dnoe: 3.940077 position 3.952992 0.2560525
ASSI { 114 }
( attr rmsd >= 0.1960525 and attr rmsd <= 0.3160525 )
(( attr rmsd >= 3.912992 and attr rmsd <= 3.992992 )
and bondedto ( attr rmsd >= 49.74132 and attr rmsd <= 51.34132 ))
4.2 4.2 1.8
peak 114 ppm1 0.2560525 ppm2 3.952992 volume 2030000 weight 1.0
REMARK dnoe: 3.803135 position 3.437753 0.2760091
ASSI { 115 }
( attr rmsd >= 0.2160091 and attr rmsd <= 0.3360091 )
(( attr rmsd >= 3.397753 and attr rmsd <= 3.477753 )
and bondedto ( attr rmsd >= 49.74635 and attr rmsd <= 51.34635 ))
4.2 4.2 1.8
peak 115 ppm1 0.2760091 ppm2 3.437753 volume 0.251e+07 weight 1.0
REMARK dnoe: 2.839178 position 3.709383 1.260674
ASSI { 116 }
( attr rmsd >= 1.200674 and attr rmsd <= 1.320674 )
(( attr rmsd >= 3.669383 and attr rmsd <= 3.749383 )
and bondedto ( attr rmsd >= 49.71463 and attr rmsd <= 51.31463 ))
3.0 3.0 0.5999999
peak 116 ppm1 1.260674 ppm2 3.709383 volume 14500000 weight 1.0
REMARK dnoe: 2.784343 position 3.550166 1.264971
ASSI { 117 }
( attr rmsd >= 1.204971 and attr rmsd <= 1.324971 )
(( attr rmsd >= 3.510166 and attr rmsd <= 3.590166 )
and bondedto ( attr rmsd >= 49.73651 and attr rmsd <= 51.33651 ))
3.0 3.0 0.5999999
peak 117 ppm1 1.264971 ppm2 3.550166 volume 16300000 weight 1.0
REMARK dnoe: 2.577532 position 3.714636 1.784844
ASSI { 118 }
( attr rmsd >= 1.724844 and attr rmsd <= 1.844844 )
(( attr rmsd >= 3.674636 and attr rmsd <= 3.754636 )
and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
3.0 3.0 0.5999999
peak 118 ppm1 1.784844 ppm2 3.714636 volume 25900000 weight 1.0
REMARK dnoe: 2.47804 position 3.558138 1.784844
ASSI { 119 }
( attr rmsd >= 1.724844 and attr rmsd <= 1.844844 )
(( attr rmsd >= 3.518138 and attr rmsd <= 3.598138 )
and bondedto ( attr rmsd >= 49.73651 and attr rmsd <= 51.33651 ))
2.5 2.5 0.2
peak 119 ppm1 1.784844 ppm2 3.558138 volume 32800000 weight 1.0
REMARK dnoe: 3.252952 position 3.558138 2.18012
ASSI { 120 }
( attr rmsd >= 2.12012 and attr rmsd <= 2.24012 )
(( attr rmsd >= 3.518138 and attr rmsd <= 3.598138 )
and bondedto ( attr rmsd >= 49.64836 and attr rmsd <= 51.24836 ))
3.6 3.6 1.4
peak 120 ppm1 2.18012 ppm2 3.558138 volume 0.641e+07 weight 1.0
REMARK dnoe: 2.336332 position 3.553941 1.924544
ASSI { 121 }
( attr rmsd >= 1.864544 and attr rmsd <= 1.984544 )
(( attr rmsd >= 3.513941 and attr rmsd <= 3.593941 )
and bondedto ( attr rmsd >= 49.56020 and attr rmsd <= 51.16020 ))
2.5 2.5 0.2
peak 121 ppm1 1.924544 ppm2 3.553941 volume 46700000 weight 1.0
REMARK dnoe: 2.189698 position 3.71222 1.933073
ASSI { 122 }
( attr rmsd >= 1.873073 and attr rmsd <= 1.993073 )
(( attr rmsd >= 3.67222 and attr rmsd <= 3.75222 )
and bondedto ( attr rmsd >= 49.84676 and attr rmsd <= 51.44676 ))
2.5 2.5 0.2
peak 122 ppm1 1.933073 ppm2 3.71222 volume 68900000 weight 1.0
REMARK dnoe: 1.627297 position 3.57141 3.710243
ASSI { 123 }
( attr rmsd >= 3.650243 and attr rmsd <= 3.770243 )
(( attr rmsd >= 3.53141 and attr rmsd <= 3.61141 )
and bondedto ( attr rmsd >= 49.78310 and attr rmsd <= 51.38310 ))
2.5 2.5 0.2
peak 123 ppm1 3.710243 ppm2 3.57141 volume 409000000 weight 1.0
REMARK dnoe: 3.253799 position 0.7544632 9.479802
ASSI { 124 }
( attr rmsd >= 9.419802 and attr rmsd <= 9.539803 )
(( attr rmsd >= 0.7144632 and attr rmsd <= 0.7944632 )
and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
3.6 3.6 1.4
peak 124 ppm1 9.479802 ppm2 0.7544632 volume 6400000 weight 1.0
REMARK dnoe: 2.711742 position 0.752564 9.232068
ASSI { 125 }
( attr rmsd >= 9.172068 and attr rmsd <= 9.292068 )
(( attr rmsd >= 0.712564 and attr rmsd <= 0.792564 )
and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
3.0 3.0 0.5999999
peak 125 ppm1 9.232068 ppm2 0.752564 volume 19100000 weight 1.0
REMARK dnoe: 3.015554 position 1.067738 9.007835
ASSI { 126 }
( attr rmsd >= 8.947835 and attr rmsd <= 9.067836 )
(( attr rmsd >= 1.027738 and attr rmsd <= 1.107738 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 126 ppm1 9.007835 ppm2 1.067738 volume 10100000 weight 1.0
REMARK dnoe: 2.778689 position 1.285578 6.909654
ASSI { 128 }
( attr rmsd >= 6.849654 and attr rmsd <= 6.969654 )
(( attr rmsd >= 1.245578 and attr rmsd <= 1.325578 )
and bondedto ( attr rmsd >= 21.30465 and attr rmsd <= 22.90465 ))
3.0 3.0 0.5999999
peak 128 ppm1 6.909654 ppm2 1.285578 volume 16500001 weight 1.0
REMARK dnoe: 3.254647 position 1.283092 6.726903
ASSI { 129 }
( attr rmsd >= 6.666903 and attr rmsd <= 6.786903 )
(( attr rmsd >= 1.243092 and attr rmsd <= 1.323092 )
and bondedto ( attr rmsd >= 21.54286 and attr rmsd <= 23.14286 ))
3.6 3.6 1.4
peak 129 ppm1 6.726903 ppm2 1.283092 volume 6390000 weight 1.0
REMARK dnoe: 3.060615 position 1.144275 6.889202
ASSI { 130 }
( attr rmsd >= 6.829202 and attr rmsd <= 6.949202 )
(( attr rmsd >= 1.104275 and attr rmsd <= 1.184275 )
and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
3.6 3.6 1.4
peak 130 ppm1 6.889202 ppm2 1.144275 volume 9240000 weight 1.0
REMARK dnoe: 3.204801 position 0.7551429 5.979446
ASSI { 131 }
( attr rmsd >= 5.919446 and attr rmsd <= 6.039446 )
(( attr rmsd >= 0.7151429 and attr rmsd <= 0.7951429 )
and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
3.6 3.6 1.4
peak 131 ppm1 5.979446 ppm2 0.7551429 volume 7010000 weight 1.0
REMARK dnoe: 3.112096 position 1.285578 8.772925
ASSI { 132 }
( attr rmsd >= 8.712925 and attr rmsd <= 8.832926 )
(( attr rmsd >= 1.245578 and attr rmsd <= 1.325578 )
and bondedto ( attr rmsd >= 21.30181 and attr rmsd <= 22.90181 ))
3.6 3.6 1.4
peak 132 ppm1 8.772925 ppm2 1.285578 volume 8360001 weight 1.0
REMARK dnoe: 3.096251 position 1.067762 8.512366
ASSI { 133 }
( attr rmsd >= 8.452366 and attr rmsd <= 8.572367 )
(( attr rmsd >= 1.027762 and attr rmsd <= 1.107762 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 133 ppm1 8.512366 ppm2 1.067762 volume 8620000 weight 1.0
REMARK dnoe: 3.247069 position 0.7600906 8.943753
ASSI { 134 }
( attr rmsd >= 8.883753 and attr rmsd <= 9.003754 )
(( attr rmsd >= 0.7200906 and attr rmsd <= 0.8000906 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 134 ppm1 8.943753 ppm2 0.7600906 volume 6480000 weight 1.0
REMARK dnoe: 3.316256 position 0.7551429 8.578575
ASSI { 135 }
( attr rmsd >= 8.518575 and attr rmsd <= 8.638576 )
(( attr rmsd >= 0.7151429 and attr rmsd <= 0.7951429 )
and bondedto ( attr rmsd >= 21.27993 and attr rmsd <= 22.87993 ))
3.6 3.6 1.4
peak 135 ppm1 8.578575 ppm2 0.7551429 volume 5710000 weight 1.0
REMARK dnoe: 3.124043 position 0.7625766 8.119432
ASSI { 136 }
( attr rmsd >= 8.059432 and attr rmsd <= 8.179433 )
(( attr rmsd >= 0.7225766 and attr rmsd <= 0.8025766 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 136 ppm1 8.119432 ppm2 0.7625766 volume 0.817e+07 weight 1.0
REMARK dnoe: 2.910286 position 1.151193 8.619155
ASSI { 137 }
( attr rmsd >= 8.559155 and attr rmsd <= 8.679155 )
(( attr rmsd >= 1.111193 and attr rmsd <= 1.191193 )
and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
3.0 3.0 0.5999999
peak 137 ppm1 8.619155 ppm2 1.151193 volume 12500000 weight 1.0
REMARK dnoe: 3.599839 position 1.181465 8.225662
ASSI { 138 }
( attr rmsd >= 8.165662 and attr rmsd <= 8.285663 )
(( attr rmsd >= 1.141465 and attr rmsd <= 1.221465 )
and bondedto ( attr rmsd >= 21.24580 and attr rmsd <= 22.84580 ))
3.6 3.6 1.4
peak 138 ppm1 8.225662 ppm2 1.181465 volume 3490000 weight 1.0
REMARK dnoe: 2.492169 position 0.8044558 4.319548
ASSI { 139 }
( attr rmsd >= 4.259548 and attr rmsd <= 4.379548 )
(( attr rmsd >= 0.7644558 and attr rmsd <= 0.8444558 )
and bondedto ( attr rmsd >= 20.92929 and attr rmsd <= 22.52929 ))
2.5 2.5 0.2
peak 139 ppm1 4.319548 ppm2 0.8044558 volume 31700000 weight 1.0
REMARK dnoe: 2.53234 position 0.7534785 4.035379
ASSI { 140 }
( attr rmsd >= 3.975379 and attr rmsd <= 4.095379 )
(( attr rmsd >= 0.7134785 and attr rmsd <= 0.7934785 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.0 3.0 0.5999999
peak 140 ppm1 4.035379 ppm2 0.7534785 volume 28799998 weight 1.0
REMARK dnoe: 2.859246 position 0.7565498 3.82599
ASSI { 141 }
( attr rmsd >= 3.76599 and attr rmsd <= 3.88599 )
(( attr rmsd >= 0.7165498 and attr rmsd <= 0.7965498 )
and bondedto ( attr rmsd >= 21.03888 and attr rmsd <= 22.63888 ))
3.0 3.0 0.5999999
peak 141 ppm1 3.82599 ppm2 0.7565498 volume 13900000 weight 1.0
REMARK dnoe: 2.527969 position 0.9023075 3.644356
ASSI { 142 }
( attr rmsd >= 3.584356 and attr rmsd <= 3.704356 )
(( attr rmsd >= 0.8623075 and attr rmsd <= 0.9423075 )
and bondedto ( attr rmsd >= 20.86366 and attr rmsd <= 22.46366 ))
3.0 3.0 0.5999999
peak 142 ppm1 3.644356 ppm2 0.9023075 volume 29100000 weight 1.0
REMARK dnoe: 4.066329 position 1.281568 5.174352
ASSI { 143 }
( attr rmsd >= 5.114352 and attr rmsd <= 5.234352 )
(( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )
and bondedto ( attr rmsd >= 21.34599 and attr rmsd <= 22.94599 ))
4.2 4.2 1.8
peak 143 ppm1 5.174352 ppm2 1.281568 volume 1680000 weight 1.0
REMARK dnoe: 3.279043 position 1.283608 4.95622
ASSI { 144 }
( attr rmsd >= 4.89622 and attr rmsd <= 5.01622 )
(( attr rmsd >= 1.243608 and attr rmsd <= 1.323608 )
and bondedto ( attr rmsd >= 21.36021 and attr rmsd <= 22.96021 ))
3.6 3.6 1.4
peak 144 ppm1 4.95622 ppm2 1.283608 volume 6110000 weight 1.0
REMARK dnoe: 2.490861 position 1.281568 4.694823
ASSI { 145 }
( attr rmsd >= 4.634823 and attr rmsd <= 4.754823 )
(( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )
and bondedto ( attr rmsd >= 21.30552 and attr rmsd <= 22.90552 ))
2.5 2.5 0.2
peak 145 ppm1 4.694823 ppm2 1.281568 volume 31799998 weight 1.0
REMARK dnoe: 2.606863 position 1.282201 4.102726
ASSI { 146 }
( attr rmsd >= 4.042726 and attr rmsd <= 4.162726 )
(( attr rmsd >= 1.242201 and attr rmsd <= 1.322201 )
and bondedto ( attr rmsd >= 21.30246 and attr rmsd <= 22.90246 ))
3.0 3.0 0.5999999
peak 146 ppm1 4.102726 ppm2 1.282201 volume 24200000 weight 1.0
REMARK dnoe: 2.473039 position 1.067504 3.968547
ASSI { 147 }
( attr rmsd >= 3.908547 and attr rmsd <= 4.028547 )
(( attr rmsd >= 1.027504 and attr rmsd <= 1.107504 )
and bondedto ( attr rmsd >= 21.26942 and attr rmsd <= 22.86942 ))
2.5 2.5 0.2
peak 147 ppm1 3.968547 ppm2 1.067504 volume 33199998 weight 1.0
REMARK dnoe: 2.429869 position 1.069521 4.762514
ASSI { 148 }
( attr rmsd >= 4.702514 and attr rmsd <= 4.822514 )
(( attr rmsd >= 1.029521 and attr rmsd <= 1.109521 )
and bondedto ( attr rmsd >= 21.27512 and attr rmsd <= 22.87512 ))
2.5 2.5 0.2
peak 148 ppm1 4.762514 ppm2 1.069521 volume 36900000 weight 1.0
REMARK dnoe: 2.139438 position 1.146995 4.69347
ASSI { 149 }
( attr rmsd >= 4.63347 and attr rmsd <= 4.75347 )
(( attr rmsd >= 1.106995 and attr rmsd <= 1.186995 )
and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
2.5 2.5 0.2
peak 149 ppm1 4.69347 ppm2 1.146995 volume 79200000 weight 1.0
REMARK dnoe: 2.206005 position 1.177596 4.120836
ASSI { 150 }
( attr rmsd >= 4.060836 and attr rmsd <= 4.180836 )
(( attr rmsd >= 1.137596 and attr rmsd <= 1.217596 )
and bondedto ( attr rmsd >= 21.10472 and attr rmsd <= 22.70472 ))
2.5 2.5 0.2
peak 150 ppm1 4.120836 ppm2 1.177596 volume 65899996 weight 1.0
REMARK dnoe: 2.165257 position 1.140876 4.249042
ASSI { 151 }
( attr rmsd >= 4.189042 and attr rmsd <= 4.309042 )
(( attr rmsd >= 1.100876 and attr rmsd <= 1.180876 )
and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
2.5 2.5 0.2
peak 151 ppm1 4.249042 ppm2 1.140876 volume 73700000 weight 1.0
REMARK dnoe: 2.169199 position 1.151076 4.550311
ASSI { 152 }
( attr rmsd >= 4.490311 and attr rmsd <= 4.610311 )
(( attr rmsd >= 1.111076 and attr rmsd <= 1.191076 )
and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
2.5 2.5 0.2
peak 152 ppm1 4.550311 ppm2 1.151076 volume 72900000 weight 1.0
REMARK dnoe: 2.902597 position 1.079721 3.573852
ASSI { 153 }
( attr rmsd >= 3.513852 and attr rmsd <= 3.633852 )
(( attr rmsd >= 1.039721 and attr rmsd <= 1.119721 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.0 3.0 0.5999999
peak 153 ppm1 3.573852 ppm2 1.079721 volume 12700000 weight 1.0
REMARK dnoe: 3.430492 position 1.065839 3.787515
ASSI { 154 }
( attr rmsd >= 3.727515 and attr rmsd <= 3.847515 )
(( attr rmsd >= 1.025839 and attr rmsd <= 1.105839 )
and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
3.6 3.6 1.4
peak 154 ppm1 3.787515 ppm2 1.065839 volume 4660000 weight 1.0
REMARK dnoe: 2.922093 position 1.169436 3.646505
ASSI { 155 }
( attr rmsd >= 3.586505 and attr rmsd <= 3.706505 )
(( attr rmsd >= 1.129436 and attr rmsd <= 1.209436 )
and bondedto ( attr rmsd >= 21.10472 and attr rmsd <= 22.70472 ))
3.0 3.0 0.5999999
peak 155 ppm1 3.646505 ppm2 1.169436 volume 12200000 weight 1.0
REMARK dnoe: 2.702391 position 1.171476 3.815292
ASSI { 156 }
( attr rmsd >= 3.755292 and attr rmsd <= 3.875292 )
(( attr rmsd >= 1.131476 and attr rmsd <= 1.211476 )
and bondedto ( attr rmsd >= 21.14847 and attr rmsd <= 22.74847 ))
3.0 3.0 0.5999999
peak 156 ppm1 3.815292 ppm2 1.171476 volume 19500000 weight 1.0
REMARK dnoe: 2.638701 position 1.151076 3.902897
ASSI { 157 }
( attr rmsd >= 3.842897 and attr rmsd <= 3.962897 )
(( attr rmsd >= 1.111076 and attr rmsd <= 1.191076 )
and bondedto ( attr rmsd >= 21.14847 and attr rmsd <= 22.74847 ))
3.0 3.0 0.5999999
peak 157 ppm1 3.902897 ppm2 1.151076 volume 22500000 weight 1.0
REMARK dnoe: 3.420773 position 1.067481 4.252888
ASSI { 158 }
( attr rmsd >= 4.192888 and attr rmsd <= 4.312888 )
(( attr rmsd >= 1.027481 and attr rmsd <= 1.107481 )
and bondedto ( attr rmsd >= 21.20927 and attr rmsd <= 22.80927 ))
3.6 3.6 1.4
peak 158 ppm1 4.252888 ppm2 1.067481 volume 4740000 weight 1.0
REMARK dnoe: 3.326035 position 1.07156 4.422126
ASSI { 159 }
( attr rmsd >= 4.362126 and attr rmsd <= 4.482126 )
(( attr rmsd >= 1.03156 and attr rmsd <= 1.11156 )
and bondedto ( attr rmsd >= 21.21212 and attr rmsd <= 22.81212 ))
3.6 3.6 1.4
peak 159 ppm1 4.422126 ppm2 1.07156 volume 5610000 weight 1.0
REMARK dnoe: 3.403057 position 1.283115 3.309683
ASSI { 160 }
( attr rmsd >= 3.249683 and attr rmsd <= 3.369683 )
(( attr rmsd >= 1.243115 and attr rmsd <= 1.323115 )
and bondedto ( attr rmsd >= 21.34555 and attr rmsd <= 22.94555 ))
3.6 3.6 1.4
peak 160 ppm1 3.309683 ppm2 1.283115 volume 4890000 weight 1.0
REMARK dnoe: 3.347252 position 1.281568 3.142916
ASSI { 161 }
( attr rmsd >= 3.082916 and attr rmsd <= 3.202916 )
(( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )
and bondedto ( attr rmsd >= 21.36743 and attr rmsd <= 22.96743 ))
3.6 3.6 1.4
peak 161 ppm1 3.142916 ppm2 1.281568 volume 5400000 weight 1.0
REMARK dnoe: 2.402451 position 0.7534313 2.538274
ASSI { 162 }
( attr rmsd >= 2.478274 and attr rmsd <= 2.598274 )
(( attr rmsd >= 0.7134313 and attr rmsd <= 0.7934313 )
and bondedto ( attr rmsd >= 21.16881 and attr rmsd <= 22.76881 ))
2.5 2.5 0.2
peak 162 ppm1 2.538274 ppm2 0.7534313 volume 39500000 weight 1.0
REMARK dnoe: 2.816956 position 0.758004 2.879972
ASSI { 163 }
( attr rmsd >= 2.819972 and attr rmsd <= 2.939972 )
(( attr rmsd >= 0.718004 and attr rmsd <= 0.798004 )
and bondedto ( attr rmsd >= 21.27424 and attr rmsd <= 22.87424 ))
3.0 3.0 0.5999999
peak 163 ppm1 2.879972 ppm2 0.758004 volume 15200000 weight 1.0
REMARK dnoe: 2.996096 position 1.069404 2.749209
ASSI { 164 }
( attr rmsd >= 2.689209 and attr rmsd <= 2.809209 )
(( attr rmsd >= 1.029404 and attr rmsd <= 1.109404 )
and bondedto ( attr rmsd >= 21.21475 and attr rmsd <= 22.81475 ))
3.0 3.0 0.5999999
peak 164 ppm1 2.749209 ppm2 1.069404 volume 10500000 weight 1.0
REMARK dnoe: 2.691012 position 1.150583 3.298985
ASSI { 165 }
( attr rmsd >= 3.238985 and attr rmsd <= 3.358985 )
(( attr rmsd >= 1.110583 and attr rmsd <= 1.190583 )
and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
3.0 3.0 0.5999999
peak 165 ppm1 3.298985 ppm2 1.150583 volume 20000000 weight 1.0
REMARK dnoe: 2.261987 position 0.8053238 2.253525
ASSI { 166 }
( attr rmsd >= 2.193525 and attr rmsd <= 2.313525 )
(( attr rmsd >= 0.7653238 and attr rmsd <= 0.8453238 )
and bondedto ( attr rmsd >= 20.92929 and attr rmsd <= 22.52929 ))
2.5 2.5 0.2
peak 166 ppm1 2.253525 ppm2 0.8053238 volume 56699996 weight 1.0
REMARK dnoe: 2.221439 position 0.7527981 1.714275
ASSI { 167 }
( attr rmsd >= 1.654275 and attr rmsd <= 1.774275 )
(( attr rmsd >= 0.7127981 and attr rmsd <= 0.7927981 )
and bondedto ( attr rmsd >= 21.12659 and attr rmsd <= 22.72659 ))
2.5 2.5 0.2
peak 167 ppm1 1.714275 ppm2 0.7527981 volume 63200004 weight 1.0
REMARK dnoe: 2.361429 position 0.7548146 1.479258
ASSI { 168 }
( attr rmsd >= 1.419258 and attr rmsd <= 1.539258 )
(( attr rmsd >= 0.7148146 and attr rmsd <= 0.7948146 )
and bondedto ( attr rmsd >= 21.19221 and attr rmsd <= 22.79221 ))
2.5 2.5 0.2
peak 168 ppm1 1.479258 ppm2 0.7548146 volume 43800000 weight 1.0
REMARK dnoe: 2.332188 position 0.7588248 1.203639
ASSI { 169 }
( attr rmsd >= 1.143639 and attr rmsd <= 1.263639 )
(( attr rmsd >= 0.7188248 and attr rmsd <= 0.7988248 )
and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
2.5 2.5 0.2
peak 169 ppm1 1.203639 ppm2 0.7588248 volume 47200000 weight 1.0
REMARK dnoe: 2.249595 position 0.8390665 1.90869
ASSI { 171 }
( attr rmsd >= 1.84869 and attr rmsd <= 1.96869 )
(( attr rmsd >= 0.7990665 and attr rmsd <= 0.8790665 )
and bondedto ( attr rmsd >= 20.88554 and attr rmsd <= 22.48554 ))
2.5 2.5 0.2
peak 171 ppm1 1.90869 ppm2 0.8390665 volume 58600004 weight 1.0
REMARK dnoe: 2.551909 position 1.069755 0.6810808
ASSI { 172 }
( attr rmsd >= 0.6210808 and attr rmsd <= 0.7410808 )
(( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )
and bondedto ( attr rmsd >= 21.27227 and attr rmsd <= 22.87227 ))
3.0 3.0 0.5999999
peak 172 ppm1 0.6810808 ppm2 1.069755 volume 27500000 weight 1.0
REMARK dnoe: 2.652637 position 1.071772 1.305272
ASSI { 173 }
( attr rmsd >= 1.245272 and attr rmsd <= 1.365272 )
(( attr rmsd >= 1.031772 and attr rmsd <= 1.111772 )
and bondedto ( attr rmsd >= 21.25346 and attr rmsd <= 22.85346 ))
3.0 3.0 0.5999999
peak 173 ppm1 1.305272 ppm2 1.071772 volume 21800000 weight 1.0
REMARK dnoe: 2.469334 position 1.069755 1.477002
ASSI { 174 }
( attr rmsd >= 1.417002 and attr rmsd <= 1.537002 )
(( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )
and bondedto ( attr rmsd >= 21.28190 and attr rmsd <= 22.88190 ))
2.5 2.5 0.2
peak 174 ppm1 1.477002 ppm2 1.069755 volume 33500000 weight 1.0
REMARK dnoe: 2.714116 position 1.071772 1.717067
ASSI { 175 }
( attr rmsd >= 1.657067 and attr rmsd <= 1.777067 )
(( attr rmsd >= 1.031772 and attr rmsd <= 1.111772 )
and bondedto ( attr rmsd >= 21.23574 and attr rmsd <= 22.83574 ))
3.0 3.0 0.5999999
peak 175 ppm1 1.717067 ppm2 1.071772 volume 19000000 weight 1.0
REMARK dnoe: 3.06673 position 1.069755 1.998422
ASSI { 176 }
( attr rmsd >= 1.938422 and attr rmsd <= 2.058422 )
(( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 176 ppm1 1.998422 ppm2 1.069755 volume 9130000 weight 1.0
REMARK dnoe: 2.558149 position 1.154405 0.6438947
ASSI { 186 }
( attr rmsd >= 1.974705 and attr rmsd <= 2.094705 )
(( attr rmsd >= 1.244405 and attr rmsd <= 1.324405 )
and bondedto ( attr rmsd >= 21.31143 and attr rmsd <= 22.91143 ))
3.0 3.0 0.5999999
peak 186 ppm1 2.034705 ppm2 1.284405 volume 13300000 weight 1.0
REMARK dnoe: 2.733645 position 1.149997 1.944995
ASSI { 189 }
( attr rmsd >= 8.939994 and attr rmsd <= 9.059995 )
(( attr rmsd >= 1.119024 and attr rmsd <= 1.199024 )
and bondedto ( attr rmsd >= 21.10406 and attr rmsd <= 22.70406 ))
3.6 3.6 1.4
peak 189 ppm1 8.999994 ppm2 1.159024 volume 0.36e+07 weight 1.0
REMARK dnoe: 3.347252 position 1.172039 9.2676
ASSI { 190 }
( attr rmsd >= 9.2076 and attr rmsd <= 9.3276 )
(( attr rmsd >= 1.132039 and attr rmsd <= 1.212039 )
and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
3.6 3.6 1.4
peak 190 ppm1 9.2676 ppm2 1.172039 volume 5400000 weight 1.0
REMARK dnoe: 2.883976 position 0.8338139 8.763172
ASSI { 191 }
( attr rmsd >= 8.703172 and attr rmsd <= 8.823173 )
(( attr rmsd >= 0.7938139 and attr rmsd <= 0.8738139 )
and bondedto ( attr rmsd >= 20.95116 and attr rmsd <= 22.55116 ))
3.0 3.0 0.5999999
peak 191 ppm1 8.763172 ppm2 0.8338139 volume 13200000 weight 1.0
REMARK dnoe: 2.67996 position 0.9033394 4.131491
ASSI { 194 }
( attr rmsd >= 4.071491 and attr rmsd <= 4.191491 )
(( attr rmsd >= 0.8633394 and attr rmsd <= 0.9433394 )
and bondedto ( attr rmsd >= 20.86366 and attr rmsd <= 22.46366 ))
3.0 3.0 0.5999999
peak 194 ppm1 4.131491 ppm2 0.9033394 volume 20500000 weight 1.0
REMARK dnoe: 2.630963 position 0.8361819 4.853921
ASSI { 195 }
( attr rmsd >= 4.793921 and attr rmsd <= 4.913921 )
(( attr rmsd >= 0.7961819 and attr rmsd <= 0.8761819 )
and bondedto ( attr rmsd >= 20.90741 and attr rmsd <= 22.50741 ))
3.0 3.0 0.5999999
peak 195 ppm1 4.853921 ppm2 0.8361819 volume 22900000 weight 1.0
REMARK dnoe: 2.873195 position 0.8361819 4.558968
ASSI { 196 }
( attr rmsd >= 4.498968 and attr rmsd <= 4.618968 )
(( attr rmsd >= 0.7961819 and attr rmsd <= 0.8761819 )
and bondedto ( attr rmsd >= 20.90741 and attr rmsd <= 22.50741 ))
3.0 3.0 0.5999999
peak 196 ppm1 4.558968 ppm2 0.8361819 volume 13500001 weight 1.0
REMARK dnoe: 2.852446 position 0.8318439 3.718987
ASSI { 197 }
( attr rmsd >= 3.658987 and attr rmsd <= 3.778987 )
(( attr rmsd >= 0.7918439 and attr rmsd <= 0.8718439 )
and bondedto ( attr rmsd >= 20.95116 and attr rmsd <= 22.55116 ))
3.0 3.0 0.5999999
peak 197 ppm1 3.718987 ppm2 0.8318439 volume 14100000 weight 1.0
REMARK dnoe: 3.279939 position 0.9017451 7.349075
ASSI { 199 }
( attr rmsd >= 7.289075 and attr rmsd <= 7.409075 )
(( attr rmsd >= 0.8617451 and attr rmsd <= 0.9417451 )
and bondedto ( attr rmsd >= 20.89844 and attr rmsd <= 22.49844 ))
3.6 3.6 1.4
peak 199 ppm1 7.349075 ppm2 0.9017451 volume 6100000 weight 1.0
REMARK dnoe: 3.596413 position 0.9019089 3.224011
ASSI { 202 }
( attr rmsd >= 2.846094 and attr rmsd <= 2.966094 )
(( attr rmsd >= 0.8619089 and attr rmsd <= 0.9419089 )
and bondedto ( attr rmsd >= 20.75407 and attr rmsd <= 22.35407 ))
4.2 4.2 1.8
peak 202 ppm1 2.906094 ppm2 0.9019089 volume 2540000 weight 1.0
REMARK dnoe: 3.16262 position 1.182614 9.453659
ASSI { 203 }
( attr rmsd >= 9.393659 and attr rmsd <= 9.513659 )
(( attr rmsd >= 1.142614 and attr rmsd <= 1.222614 )
and bondedto ( attr rmsd >= 20.66133 and attr rmsd <= 22.26133 ))
3.6 3.6 1.4
peak 203 ppm1 9.453659 ppm2 1.182614 volume 7590000 weight 1.0
REMARK dnoe: 3.06172 position 1.180762 9.22949
ASSI { 204 }
( attr rmsd >= 9.16949 and attr rmsd <= 9.289491 )
(( attr rmsd >= 1.140762 and attr rmsd <= 1.220762 )
and bondedto ( attr rmsd >= 20.67970 and attr rmsd <= 22.27970 ))
3.6 3.6 1.4
peak 204 ppm1 9.22949 ppm2 1.180762 volume 9220000 weight 1.0
REMARK dnoe: 2.823181 position 1.180762 8.627168
ASSI { 205 }
( attr rmsd >= 8.567167 and attr rmsd <= 8.687168 )
(( attr rmsd >= 1.140762 and attr rmsd <= 1.220762 )
and bondedto ( attr rmsd >= 20.71514 and attr rmsd <= 22.31514 ))
3.0 3.0 0.5999999
peak 205 ppm1 8.627168 ppm2 1.180762 volume 15000001 weight 1.0
REMARK dnoe: 3.451805 position 1.178909 8.111012
ASSI { 206 }
( attr rmsd >= 8.051012 and attr rmsd <= 8.171013 )
(( attr rmsd >= 1.138909 and attr rmsd <= 1.218909 )
and bondedto ( attr rmsd >= 20.81970 and attr rmsd <= 22.41970 ))
3.6 3.6 1.4
peak 206 ppm1 8.111012 ppm2 1.178909 volume 4490000 weight 1.0
REMARK dnoe: 3.260627 position 0.9021201 8.062504
ASSI { 207 }
( attr rmsd >= 8.002503 and attr rmsd <= 8.122504 )
(( attr rmsd >= 0.8621201 and attr rmsd <= 0.9421201 )
and bondedto ( attr rmsd >= 20.77092 and attr rmsd <= 22.37092 ))
3.6 3.6 1.4
peak 207 ppm1 8.062504 ppm2 0.9021201 volume 6320001 weight 1.0
REMARK dnoe: 2.572589 position 0.7869391 8.100142
ASSI { 208 }
( attr rmsd >= 8.040141 and attr rmsd <= 8.160142 )
(( attr rmsd >= 0.7469391 and attr rmsd <= 0.8269391 )
and bondedto ( attr rmsd >= 20.63267 and attr rmsd <= 22.23267 ))
3.0 3.0 0.5999999
peak 208 ppm1 8.100142 ppm2 0.7869391 volume 26200000 weight 1.0
REMARK dnoe: 2.553459 position 0.7825077 9.226376
ASSI { 209 }
( attr rmsd >= 9.166375 and attr rmsd <= 9.286376 )
(( attr rmsd >= 0.7425077 and attr rmsd <= 0.8225077 )
and bondedto ( attr rmsd >= 20.76764 and attr rmsd <= 22.36764 ))
3.0 3.0 0.5999999
peak 209 ppm1 9.226376 ppm2 0.7825077 volume 27399998 weight 1.0
REMARK dnoe: 3.439156 position 1.174079 5.290765
ASSI { 210 }
( attr rmsd >= 5.230765 and attr rmsd <= 5.350765 )
(( attr rmsd >= 1.134079 and attr rmsd <= 1.214079 )
and bondedto ( attr rmsd >= 20.71601 and attr rmsd <= 22.31601 ))
3.6 3.6 1.4
peak 210 ppm1 5.290765 ppm2 1.174079 volume 4590000 weight 1.0
REMARK dnoe: 2.667106 position 1.180738 5.000753
ASSI { 211 }
( attr rmsd >= 4.940753 and attr rmsd <= 5.060753 )
(( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )
and bondedto ( attr rmsd >= 20.66111 and attr rmsd <= 22.26111 ))
3.0 3.0 0.5999999
peak 211 ppm1 5.000753 ppm2 1.180738 volume 21100000 weight 1.0
REMARK dnoe: 2.24076 position 1.180738 4.704618
ASSI { 212 }
( attr rmsd >= 4.644618 and attr rmsd <= 4.764618 )
(( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )
and bondedto ( attr rmsd >= 20.75954 and attr rmsd <= 22.35954 ))
2.5 2.5 0.2
peak 212 ppm1 4.704618 ppm2 1.180738 volume 60000004 weight 1.0
REMARK dnoe: 2.234596 position 1.17851 4.472308
ASSI { 213 }
( attr rmsd >= 4.412308 and attr rmsd <= 4.532308 )
(( attr rmsd >= 1.13851 and attr rmsd <= 1.21851 )
and bondedto ( attr rmsd >= 20.75954 and attr rmsd <= 22.35954 ))
2.5 2.5 0.2
peak 213 ppm1 4.472308 ppm2 1.17851 volume 61000000 weight 1.0
REMARK dnoe: 2.353438 position 1.180738 4.04307
ASSI { 214 }
( attr rmsd >= 3.98307 and attr rmsd <= 4.10307 )
(( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )
and bondedto ( attr rmsd >= 20.71403 and attr rmsd <= 22.31403 ))
2.5 2.5 0.2
peak 214 ppm1 4.04307 ppm2 1.180738 volume 44700000 weight 1.0
REMARK dnoe: 2.393447 position 0.786869 4.038644
ASSI { 215 }
( attr rmsd >= 3.978644 and attr rmsd <= 4.098644 )
(( attr rmsd >= 0.746869 and attr rmsd <= 0.826869 )
and bondedto ( attr rmsd >= 20.64602 and attr rmsd <= 22.24602 ))
2.5 2.5 0.2
peak 215 ppm1 4.038644 ppm2 0.786869 volume 40400000 weight 1.0
REMARK dnoe: 2.773115 position 0.786869 3.824035
ASSI { 216 }
( attr rmsd >= 3.764035 and attr rmsd <= 3.884035 )
(( attr rmsd >= 0.746869 and attr rmsd <= 0.826869 )
and bondedto ( attr rmsd >= 20.66876 and attr rmsd <= 22.26876 ))
3.0 3.0 0.5999999
peak 216 ppm1 3.824035 ppm2 0.786869 volume 16700000 weight 1.0
REMARK dnoe: 2.051102 position 0.7847352 1.709506
ASSI { 217 }
( attr rmsd >= 1.649506 and attr rmsd <= 1.769506 )
(( attr rmsd >= 0.7447352 and attr rmsd <= 0.8247352 )
and bondedto ( attr rmsd >= 20.60051 and attr rmsd <= 22.20051 ))
2.5 2.5 0.2
peak 217 ppm1 1.709506 ppm2 0.7847352 volume 102000000 weight 1.0
REMARK dnoe: 2.359637 position 1.178253 0.7669671
ASSI { 218 }
( attr rmsd >= 0.7069671 and attr rmsd <= 0.8269671 )
(( attr rmsd >= 1.138253 and attr rmsd <= 1.218253 )
and bondedto ( attr rmsd >= 20.66876 and attr rmsd <= 22.26876 ))
2.5 2.5 0.2
peak 218 ppm1 0.7669671 ppm2 1.178253 volume 44000000 weight 1.0
REMARK dnoe: 3.424395 position 0.7858608 0.1046872
ASSI { 219 }
( attr rmsd >= 0.0446872 and attr rmsd <= 0.1646872 )
(( attr rmsd >= 0.7458608 and attr rmsd <= 0.8258608 )
and bondedto ( attr rmsd >= 20.64602 and attr rmsd <= 22.24602 ))
3.6 3.6 1.4
peak 219 ppm1 0.1046872 ppm2 0.7858608 volume 4710000 weight 1.0
REMARK dnoe: 2.175714 position 0.7860019 1.176421
ASSI { 220 }
( attr rmsd >= 1.116421 and attr rmsd <= 1.236421 )
(( attr rmsd >= 0.7460019 and attr rmsd <= 0.8260019 )
and bondedto ( attr rmsd >= 20.60051 and attr rmsd <= 22.20051 ))
2.5 2.5 0.2
peak 220 ppm1 1.176421 ppm2 0.7860019 volume 71600000 weight 1.0
REMARK dnoe: 2.303037 position 0.7408397 1.904952
ASSI { 221 }
( attr rmsd >= 1.844952 and attr rmsd <= 1.964952 )
(( attr rmsd >= 0.7008397 and attr rmsd <= 0.7808397 )
and bondedto ( attr rmsd >= 20.23674 and attr rmsd <= 21.83674 ))
2.5 2.5 0.2
peak 221 ppm1 1.904952 ppm2 0.7408397 volume 50900000 weight 1.0
REMARK dnoe: 3.1266 position 0.742434 8.761539
ASSI { 222 }
( attr rmsd >= 8.701539 and attr rmsd <= 8.82154 )
(( attr rmsd >= 0.702434 and attr rmsd <= 0.782434 )
and bondedto ( attr rmsd >= 20.21421 and attr rmsd <= 21.81421 ))
3.6 3.6 1.4
peak 222 ppm1 8.761539 ppm2 0.742434 volume 8130000 weight 1.0
REMARK dnoe: 3.231467 position 0.7399716 8.898769
ASSI { 223 }
( attr rmsd >= 8.838769 and attr rmsd <= 8.95877 )
(( attr rmsd >= 0.6999716 and attr rmsd <= 0.7799716 )
and bondedto ( attr rmsd >= 20.18359 and attr rmsd <= 21.78359 ))
3.6 3.6 1.4
peak 223 ppm1 8.898769 ppm2 0.7399716 volume 6670000 weight 1.0
REMARK dnoe: 3.352445 position 0.742434 9.053936
ASSI { 224 }
( attr rmsd >= 8.993936 and attr rmsd <= 9.113936 )
(( attr rmsd >= 0.702434 and attr rmsd <= 0.782434 )
and bondedto ( attr rmsd >= 20.16717 and attr rmsd <= 21.76717 ))
3.6 3.6 1.4
peak 224 ppm1 9.053936 ppm2 0.742434 volume 5350001 weight 1.0
REMARK dnoe: 3.124043 position 0.7523293 9.192089
ASSI { 225 }
( attr rmsd >= 9.132089 and attr rmsd <= 9.25209 )
(( attr rmsd >= 0.7123293 and attr rmsd <= 0.7923293 )
and bondedto ( attr rmsd >= 20.25687 and attr rmsd <= 21.85687 ))
3.6 3.6 1.4
peak 225 ppm1 9.192089 ppm2 0.7523293 volume 0.817e+07 weight 1.0
REMARK dnoe: 3.082112 position 0.8312106 8.896105
ASSI { 226 }
( attr rmsd >= 8.836104 and attr rmsd <= 8.956105 )
(( attr rmsd >= 0.7912106 and attr rmsd <= 0.8712106 )
and bondedto ( attr rmsd >= 20.91485 and attr rmsd <= 22.51485 ))
3.6 3.6 1.4
peak 226 ppm1 8.896105 ppm2 0.8312106 volume 8860000 weight 1.0
REMARK dnoe: 2.996096 position 0.8352208 9.080618
ASSI { 227 }
( attr rmsd >= 9.020617 and attr rmsd <= 9.140618 )
(( attr rmsd >= 0.7952208 and attr rmsd <= 0.8752208 )
and bondedto ( attr rmsd >= 20.93344 and attr rmsd <= 22.53344 ))
3.0 3.0 0.5999999
peak 227 ppm1 9.080618 ppm2 0.8352208 volume 10500000 weight 1.0
REMARK dnoe: 4.201853 position 0.739362 6.658095
ASSI { 228 }
( attr rmsd >= 6.598095 and attr rmsd <= 6.718095 )
(( attr rmsd >= 0.699362 and attr rmsd <= 0.779362 )
and bondedto ( attr rmsd >= 20.22974 and attr rmsd <= 21.82974 ))
4.2 4.2 1.8
peak 228 ppm1 6.658095 ppm2 0.739362 volume 1380000 weight 1.0
REMARK dnoe: 3.808209 position -0.2029967 6.61324
ASSI { 229 }
( attr rmsd >= 6.55324 and attr rmsd <= 6.67324 )
(( attr rmsd >= -0.2429967 and attr rmsd <= -0.1629967 )
and bondedto ( attr rmsd >= 20.19102 and attr rmsd <= 21.79102 ))
4.2 4.2 1.8
peak 229 ppm1 6.61324 ppm2 -0.2029967 volume 2490000 weight 1.0
REMARK dnoe: 3.544494 position -0.19418 6.780458
ASSI { 230 }
( attr rmsd >= 6.720458 and attr rmsd <= 6.840458 )
(( attr rmsd >= -0.23418 and attr rmsd <= -0.15418 )
and bondedto ( attr rmsd >= 20.09719 and attr rmsd <= 21.69719 ))
3.6 3.6 1.4
peak 230 ppm1 6.780458 ppm2 -0.19418 volume 0.383e+07 weight 1.0
REMARK dnoe: 2.736156 position 0.7382598 4.700838
ASSI { 231 }
( attr rmsd >= 4.640838 and attr rmsd <= 4.760838 )
(( attr rmsd >= 0.6982598 and attr rmsd <= 0.7782598 )
and bondedto ( attr rmsd >= 20.22821 and attr rmsd <= 21.82821 ))
3.0 3.0 0.5999999
peak 231 ppm1 4.700838 ppm2 0.7382598 volume 18100000 weight 1.0
REMARK dnoe: 2.601515 position 0.738307 4.849452
ASSI { 232 }
( attr rmsd >= 4.789452 and attr rmsd <= 4.909452 )
(( attr rmsd >= 0.698307 and attr rmsd <= 0.778307 )
and bondedto ( attr rmsd >= 20.23455 and attr rmsd <= 21.83455 ))
3.0 3.0 0.5999999
peak 232 ppm1 4.849452 ppm2 0.738307 volume 24500000 weight 1.0
REMARK dnoe: 3.205563 position 0.7396667 5.135383
ASSI { 233 }
( attr rmsd >= 5.075383 and attr rmsd <= 5.195383 )
(( attr rmsd >= 0.6996667 and attr rmsd <= 0.7796667 )
and bondedto ( attr rmsd >= 20.21531 and attr rmsd <= 21.81531 ))
3.6 3.6 1.4
peak 233 ppm1 5.135383 ppm2 0.7396667 volume 7000000 weight 1.0
REMARK dnoe: 3.042237 position 0.739362 4.578581
ASSI { 234 }
( attr rmsd >= 4.518581 and attr rmsd <= 4.638581 )
(( attr rmsd >= 0.699362 and attr rmsd <= 0.779362 )
and bondedto ( attr rmsd >= 20.06066 and attr rmsd <= 21.66066 ))
3.6 3.6 1.4
peak 234 ppm1 4.578581 ppm2 0.739362 volume 9580000 weight 1.0
REMARK dnoe: 3.754849 position -0.196619 4.226207
ASSI { 235 }
( attr rmsd >= 4.166207 and attr rmsd <= 4.286207 )
(( attr rmsd >= -0.236619 and attr rmsd <= -0.156619 )
and bondedto ( attr rmsd >= 20.25227 and attr rmsd <= 21.85227 ))
4.2 4.2 1.8
peak 235 ppm1 4.226207 ppm2 -0.196619 volume 2710000 weight 1.0
REMARK dnoe: 3.330004 position 0.7418945 3.20008
ASSI { 236 }
( attr rmsd >= 3.14008 and attr rmsd <= 3.26008 )
(( attr rmsd >= 0.7018945 and attr rmsd <= 0.7818945 )
and bondedto ( attr rmsd >= 20.26671 and attr rmsd <= 21.86671 ))
3.6 3.6 1.4
peak 236 ppm1 3.20008 ppm2 0.7418945 volume 5570000 weight 1.0
REMARK dnoe: 3.114585 position -0.1828542 0.1496072
ASSI { 237 }
( attr rmsd >= 0.0896072 and attr rmsd <= 0.2096072 )
(( attr rmsd >= -0.2228542 and attr rmsd <= -0.1428542 )
and bondedto ( attr rmsd >= 20.17396 and attr rmsd <= 21.77396 ))
3.6 3.6 1.4
peak 237 ppm1 0.1496072 ppm2 -0.1828542 volume 8320000 weight 1.0
REMARK dnoe: 2.801802 position -0.1908975 0.4085984
ASSI { 238 }
( attr rmsd >= 0.3485984 and attr rmsd <= 0.4685984 )
(( attr rmsd >= -0.2308975 and attr rmsd <= -0.1508975 )
and bondedto ( attr rmsd >= 20.24156 and attr rmsd <= 21.84156 ))
3.0 3.0 0.5999999
peak 238 ppm1 0.4085984 ppm2 -0.1908975 volume 15700001 weight 1.0
REMARK dnoe: 2.891324 position -0.1962676 1.072983
ASSI { 239 }
( attr rmsd >= 1.012983 and attr rmsd <= 1.132983 )
(( attr rmsd >= -0.2362676 and attr rmsd <= -0.1562676 )
and bondedto ( attr rmsd >= 20.14990 and attr rmsd <= 21.74990 ))
3.0 3.0 0.5999999
peak 239 ppm1 1.072983 ppm2 -0.1962676 volume 13000000 weight 1.0
REMARK dnoe: 2.481838 position 0.7399952 1.543468
ASSI { 240 }
( attr rmsd >= 1.483468 and attr rmsd <= 1.603468 )
(( attr rmsd >= 0.6999952 and attr rmsd <= 0.7799952 )
and bondedto ( attr rmsd >= 20.23521 and attr rmsd <= 21.83521 ))
2.5 2.5 0.2
peak 240 ppm1 1.543468 ppm2 0.7399952 volume 32499998 weight 1.0
REMARK dnoe: 2.4718 position 0.7417305 1.634661
ASSI { 241 }
( attr rmsd >= 1.574661 and attr rmsd <= 1.694661 )
(( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )
and bondedto ( attr rmsd >= 20.23981 and attr rmsd <= 21.83981 ))
2.5 2.5 0.2
peak 241 ppm1 1.634661 ppm2 0.7417305 volume 33300000 weight 1.0
REMARK dnoe: 2.59277 position 0.7417305 1.327506
ASSI { 242 }
( attr rmsd >= 1.267506 and attr rmsd <= 1.387506 )
(( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )
and bondedto ( attr rmsd >= 20.24199 and attr rmsd <= 21.84199 ))
3.0 3.0 0.5999999
peak 242 ppm1 1.327506 ppm2 0.7417305 volume 25000000 weight 1.0
REMARK dnoe: 2.146728 position 0.7417305 0.9803517
ASSI { 243 }
( attr rmsd >= 0.9203517 and attr rmsd <= 1.040352 )
(( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )
and bondedto ( attr rmsd >= 20.22581 and attr rmsd <= 21.82581 ))
2.5 2.5 0.2
peak 243 ppm1 0.9803517 ppm2 0.7417305 volume 77600000 weight 1.0
REMARK dnoe: 3.507336 position 0.7399952 2.188713
ASSI { 244 }
( attr rmsd >= 2.128713 and attr rmsd <= 2.248713 )
(( attr rmsd >= 0.6999952 and attr rmsd <= 0.7799952 )
and bondedto ( attr rmsd >= 20.14706 and attr rmsd <= 21.74706 ))
3.6 3.6 1.4
peak 244 ppm1 2.188713 ppm2 0.7399952 volume 4080000 weight 1.0
REMARK dnoe: 2.303037 position 0.1053071 0.7080841
ASSI { 245 }
( attr rmsd >= 0.6480841 and attr rmsd <= 0.7680841 )
(( attr rmsd >= 0.0653071 and attr rmsd <= 0.1453071 )
and bondedto ( attr rmsd >= 19.58532 and attr rmsd <= 21.18532 ))
2.5 2.5 0.2
peak 245 ppm1 0.7080841 ppm2 0.1053071 volume 50900000 weight 1.0
REMARK dnoe: 3.353491 position 0.1049085 1.198182
ASSI { 246 }
( attr rmsd >= 1.138182 and attr rmsd <= 1.258182 )
(( attr rmsd >= 0.0649085 and attr rmsd <= 0.1449085 )
and bondedto ( attr rmsd >= 19.57242 and attr rmsd <= 21.17242 ))
3.6 3.6 1.4
peak 246 ppm1 1.198182 ppm2 0.1049085 volume 5340000 weight 1.0
REMARK dnoe: 2.764899 position 0.1058702 1.583275
ASSI { 247 }
( attr rmsd >= 1.523275 and attr rmsd <= 1.643275 )
(( attr rmsd >= 0.0658702 and attr rmsd <= 0.1458702 )
and bondedto ( attr rmsd >= 19.56279 and attr rmsd <= 21.16279 ))
3.0 3.0 0.5999999
peak 247 ppm1 1.583275 ppm2 0.1058702 volume 17000000 weight 1.0
REMARK dnoe: 2.364136 position 0.1053071 1.863964
ASSI { 249 }
( attr rmsd >= 1.803964 and attr rmsd <= 1.923964 )
(( attr rmsd >= 0.0653071 and attr rmsd <= 0.1453071 )
and bondedto ( attr rmsd >= 19.59167 and attr rmsd <= 21.19167 ))
2.5 2.5 0.2
peak 249 ppm1 1.863964 ppm2 0.1053071 volume 43500000 weight 1.0
REMARK dnoe: 3.220299 position 0.1034312 2.119496
ASSI { 250 }
( attr rmsd >= 2.059496 and attr rmsd <= 2.179496 )
(( attr rmsd >= 0.0634312 and attr rmsd <= 0.1434312 )
and bondedto ( attr rmsd >= 19.64351 and attr rmsd <= 21.24351 ))
3.6 3.6 1.4
peak 250 ppm1 2.119496 ppm2 0.1034312 volume 6810000 weight 1.0
REMARK dnoe: 2.662915 position 0.1054015 3.835593
ASSI { 251 }
( attr rmsd >= 3.775593 and attr rmsd <= 3.895593 )
(( attr rmsd >= 0.0654015 and attr rmsd <= 0.1454015 )
and bondedto ( attr rmsd >= 19.59167 and attr rmsd <= 21.19167 ))
3.0 3.0 0.5999999
peak 251 ppm1 3.835593 ppm2 0.1054015 volume 21300000 weight 1.0
REMARK dnoe: 2.996096 position 0.1087775 3.971705
ASSI { 252 }
( attr rmsd >= 3.911705 and attr rmsd <= 4.031705 )
(( attr rmsd >= 0.0687775 and attr rmsd <= 0.1487775 )
and bondedto ( attr rmsd >= 19.56302 and attr rmsd <= 21.16302 ))
3.0 3.0 0.5999999
peak 252 ppm1 3.971705 ppm2 0.1087775 volume 10500000 weight 1.0
REMARK dnoe: 3.462164 position 0.1054478 4.424661
ASSI { 253 }
( attr rmsd >= 4.364661 and attr rmsd <= 4.484661 )
(( attr rmsd >= 0.0654478 and attr rmsd <= 0.1454478 )
and bondedto ( attr rmsd >= 19.59669 and attr rmsd <= 21.19669 ))
3.6 3.6 1.4
peak 253 ppm1 4.424661 ppm2 0.1054478 volume 4410000 weight 1.0
REMARK dnoe: 3.137631 position 0.1031265 6.572251
ASSI { 255 }
( attr rmsd >= 6.512251 and attr rmsd <= 6.632251 )
(( attr rmsd >= 0.0631265 and attr rmsd <= 0.1431265 )
and bondedto ( attr rmsd >= 19.59123 and attr rmsd <= 21.19123 ))
3.6 3.6 1.4
peak 255 ppm1 6.572251 ppm2 0.1031265 volume 7960000 weight 1.0
REMARK dnoe: 3.14894 position 0.1045332 6.869567
ASSI { 256 }
( attr rmsd >= 6.809567 and attr rmsd <= 6.929567 )
(( attr rmsd >= 0.0645332 and attr rmsd <= 0.1445332 )
and bondedto ( attr rmsd >= 19.59932 and attr rmsd <= 21.19932 ))
3.6 3.6 1.4
peak 256 ppm1 6.869567 ppm2 0.1045332 volume 7790000 weight 1.0
REMARK dnoe: 3.738923 position 0.1053777 7.144413
ASSI { 257 }
( attr rmsd >= 7.084413 and attr rmsd <= 7.204413 )
(( attr rmsd >= 0.0653777 and attr rmsd <= 0.1453777 )
and bondedto ( attr rmsd >= 19.58707 and attr rmsd <= 21.18707 ))
4.2 4.2 1.8
peak 257 ppm1 7.144413 ppm2 0.1053777 volume 2780000 weight 1.0
REMARK dnoe: 2.972957 position 0.105237 8.11215
ASSI { 258 }
( attr rmsd >= 8.05215 and attr rmsd <= 8.172151 )
(( attr rmsd >= 0.065237 and attr rmsd <= 0.145237 )
and bondedto ( attr rmsd >= 19.59582 and attr rmsd <= 21.19582 ))
3.0 3.0 0.5999999
peak 258 ppm1 8.11215 ppm2 0.105237 volume 11000000 weight 1.0
REMARK dnoe: 3.37599 position 0.1129518 8.947276
ASSI { 259 }
( attr rmsd >= 8.887276 and attr rmsd <= 9.007277 )
(( attr rmsd >= 0.0729518 and attr rmsd <= 0.1529518 )
and bondedto ( attr rmsd >= 19.70060 and attr rmsd <= 21.30060 ))
3.6 3.6 1.4
peak 259 ppm1 8.947276 ppm2 0.1129518 volume 5130000 weight 1.0
REMARK dnoe: 3.648475 position 0.1087775 9.233486
ASSI { 260 }
( attr rmsd >= 9.173486 and attr rmsd <= 9.293487 )
(( attr rmsd >= 0.0687775 and attr rmsd <= 0.1487775 )
and bondedto ( attr rmsd >= 19.59932 and attr rmsd <= 21.19932 ))
4.2 4.2 1.8
peak 260 ppm1 9.233486 ppm2 0.1087775 volume 3220000 weight 1.0
REMARK dnoe: 2.964042 position 0.7300999 8.03578
ASSI { 261 }
( attr rmsd >= 7.97578 and attr rmsd <= 8.09578 )
(( attr rmsd >= 0.6900999 and attr rmsd <= 0.7700999 )
and bondedto ( attr rmsd >= 18.34986 and attr rmsd <= 19.94986 ))
3.0 3.0 0.5999999
peak 261 ppm1 8.03578 ppm2 0.7300999 volume 11200000 weight 1.0
REMARK dnoe: 3.320143 position 0.7269342 7.876123
ASSI { 262 }
( attr rmsd >= 7.816123 and attr rmsd <= 7.936123 )
(( attr rmsd >= 0.6869342 and attr rmsd <= 0.7669342 )
and bondedto ( attr rmsd >= 18.34986 and attr rmsd <= 19.94986 ))
3.6 3.6 1.4
peak 262 ppm1 7.876123 ppm2 0.7269342 volume 0.567e+07 weight 1.0
REMARK dnoe: 2.741228 position 0.7282007 4.330676
ASSI { 264 }
( attr rmsd >= 4.270676 and attr rmsd <= 4.390676 )
(( attr rmsd >= 0.6882007 and attr rmsd <= 0.7682007 )
and bondedto ( attr rmsd >= 18.27833 and attr rmsd <= 19.87833 ))
3.0 3.0 0.5999999
peak 264 ppm1 4.330676 ppm2 0.7282007 volume 17900000 weight 1.0
REMARK dnoe: 3.67362 position 0.7236516 4.019331
ASSI { 265 }
( attr rmsd >= 3.959331 and attr rmsd <= 4.079331 )
(( attr rmsd >= 0.6836516 and attr rmsd <= 0.7636516 )
and bondedto ( attr rmsd >= 18.29036 and attr rmsd <= 19.89036 ))
4.2 4.2 1.8
peak 265 ppm1 4.019331 ppm2 0.7236516 volume 0.309e+07 weight 1.0
REMARK dnoe: 3.675606 position 0.7304749 3.704808
ASSI { 266 }
( attr rmsd >= 3.644808 and attr rmsd <= 3.764808 )
(( attr rmsd >= 0.6904749 and attr rmsd <= 0.7704749 )
and bondedto ( attr rmsd >= 18.22780 and attr rmsd <= 19.82780 ))
4.2 4.2 1.8
peak 266 ppm1 3.704808 ppm2 0.7304749 volume 3080000 weight 1.0
REMARK dnoe: 2.358744 position 0.7286458 2.255694
ASSI { 267 }
( attr rmsd >= 2.195694 and attr rmsd <= 2.315694 )
(( attr rmsd >= 0.6886458 and attr rmsd <= 0.7686458 )
and bondedto ( attr rmsd >= 18.27199 and attr rmsd <= 19.87199 ))
2.5 2.5 0.2
peak 267 ppm1 2.255694 ppm2 0.7286458 volume 44100000 weight 1.0
REMARK dnoe: 1.96236 position 0.6761675 0.987849
ASSI { 268 }
( attr rmsd >= 0.927849 and attr rmsd <= 1.047849 )
(( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )
and bondedto ( attr rmsd >= 17.59257 and attr rmsd <= 19.19257 ))
2.5 2.5 0.2
peak 268 ppm1 0.987849 ppm2 0.6761675 volume 133000000 weight 1.0
REMARK dnoe: 2.19129 position 0.6761675 1.355197
ASSI { 269 }
( attr rmsd >= 1.295197 and attr rmsd <= 1.415197 )
(( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )
and bondedto ( attr rmsd >= 17.58601 and attr rmsd <= 19.18601 ))
2.5 2.5 0.2
peak 269 ppm1 1.355197 ppm2 0.6761675 volume 68600000 weight 1.0
REMARK dnoe: 2.130564 position 0.6761675 1.880784
ASSI { 270 }
( attr rmsd >= 1.820784 and attr rmsd <= 1.940784 )
(( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )
and bondedto ( attr rmsd >= 17.60525 and attr rmsd <= 19.20525 ))
2.5 2.5 0.2
peak 270 ppm1 1.880784 ppm2 0.6761675 volume 81200000 weight 1.0
REMARK dnoe: 2.022399 position 0.6737995 1.689011
ASSI { 272 }
( attr rmsd >= 2.138337 and attr rmsd <= 2.258337 )
(( attr rmsd >= 0.6337995 and attr rmsd <= 0.7137995 )
and bondedto ( attr rmsd >= 17.63063 and attr rmsd <= 19.23063 ))
3.0 3.0 0.5999999
peak 272 ppm1 2.198337 ppm2 0.6737995 volume 23300000 weight 1.0
REMARK dnoe: 2.669218 position 0.6725097 2.046564
ASSI { 273 }
( attr rmsd >= 1.986564 and attr rmsd <= 2.106564 )
(( attr rmsd >= 0.6325096 and attr rmsd <= 0.7125097 )
and bondedto ( attr rmsd >= 17.59257 and attr rmsd <= 19.19257 ))
3.0 3.0 0.5999999
peak 273 ppm1 2.046564 ppm2 0.6725097 volume 21000000 weight 1.0
REMARK dnoe: 2.942544 position 1.273385 3.545366
ASSI { 275 }
( attr rmsd >= 3.485366 and attr rmsd <= 3.605366 )
(( attr rmsd >= 1.233385 and attr rmsd <= 1.313385 )
and bondedto ( attr rmsd >= 17.72885 and attr rmsd <= 19.32885 ))
3.0 3.0 0.5999999
peak 275 ppm1 3.545366 ppm2 1.273385 volume 11700000 weight 1.0
REMARK dnoe: 3.158473 position 1.274439 3.69368
ASSI { 276 }
( attr rmsd >= 3.63368 and attr rmsd <= 3.75368 )
(( attr rmsd >= 1.234439 and attr rmsd <= 1.314439 )
and bondedto ( attr rmsd >= 17.69340 and attr rmsd <= 19.29340 ))
3.6 3.6 1.4
peak 276 ppm1 3.69368 ppm2 1.274439 volume 7650000 weight 1.0
REMARK dnoe: 2.682145 position 1.268858 4.498968
ASSI { 277 }
( attr rmsd >= 4.438968 and attr rmsd <= 4.558968 )
(( attr rmsd >= 1.228858 and attr rmsd <= 1.308858 )
and bondedto ( attr rmsd >= 17.69932 and attr rmsd <= 19.29932 ))
3.0 3.0 0.5999999
peak 277 ppm1 4.498968 ppm2 1.268858 volume 20400000 weight 1.0
REMARK dnoe: 2.654671 position 0.6755109 4.875747
ASSI { 279 }
( attr rmsd >= 4.815747 and attr rmsd <= 4.935747 )
(( attr rmsd >= 0.6355109 and attr rmsd <= 0.7155109 )
and bondedto ( attr rmsd >= 17.59739 and attr rmsd <= 19.19739 ))
3.0 3.0 0.5999999
peak 279 ppm1 4.875747 ppm2 0.6755109 volume 21700000 weight 1.0
REMARK dnoe: 2.792977 position 0.6755109 4.734629
ASSI { 280 }
( attr rmsd >= 4.674629 and attr rmsd <= 4.794629 )
(( attr rmsd >= 0.6355109 and attr rmsd <= 0.7155109 )
and bondedto ( attr rmsd >= 17.57770 and attr rmsd <= 19.17770 ))
3.0 3.0 0.5999999
peak 280 ppm1 4.734629 ppm2 0.6755109 volume 16000000 weight 1.0
REMARK dnoe: 3.062829 position 0.6732135 4.576111
ASSI { 281 }
( attr rmsd >= 4.516111 and attr rmsd <= 4.636111 )
(( attr rmsd >= 0.6332135 and attr rmsd <= 0.7132135 )
and bondedto ( attr rmsd >= 17.59739 and attr rmsd <= 19.19739 ))
3.6 3.6 1.4
peak 281 ppm1 4.576111 ppm2 0.6732135 volume 9200000 weight 1.0
REMARK dnoe: 3.635421 position 0.6718764 5.047584
ASSI { 282 }
( attr rmsd >= 4.987584 and attr rmsd <= 5.107584 )
(( attr rmsd >= 0.6318763 and attr rmsd <= 0.7118764 )
and bondedto ( attr rmsd >= 17.68269 and attr rmsd <= 19.28269 ))
4.2 4.2 1.8
peak 282 ppm1 5.047584 ppm2 0.6718764 volume 3290000 weight 1.0
REMARK dnoe: 2.934244 position 0.6678901 2.938403
ASSI { 283 }
( attr rmsd >= 2.878403 and attr rmsd <= 2.998403 )
(( attr rmsd >= 0.6278901 and attr rmsd <= 0.7078901 )
and bondedto ( attr rmsd >= 17.60460 and attr rmsd <= 19.20460 ))
3.0 3.0 0.5999999
peak 283 ppm1 2.938403 ppm2 0.6678901 volume 11900000 weight 1.0
REMARK dnoe: 2.977485 position 0.6731896 5.452763
ASSI { 284 }
( attr rmsd >= 5.392763 and attr rmsd <= 5.512763 )
(( attr rmsd >= 0.6331896 and attr rmsd <= 0.7131896 )
and bondedto ( attr rmsd >= 17.62166 and attr rmsd <= 19.22166 ))
3.0 3.0 0.5999999
peak 284 ppm1 5.452763 ppm2 0.6731896 volume 10900000 weight 1.0
REMARK dnoe: 3.361938 position 0.6764021 8.335158
ASSI { 285 }
( attr rmsd >= 8.275158 and attr rmsd <= 8.395159 )
(( attr rmsd >= 0.6364021 and attr rmsd <= 0.7164021 )
and bondedto ( attr rmsd >= 17.57507 and attr rmsd <= 19.17507 ))
3.6 3.6 1.4
peak 285 ppm1 8.335158 ppm2 0.6764021 volume 5260000 weight 1.0
REMARK dnoe: 2.591045 position 0.6734009 9.08197
ASSI { 286 }
( attr rmsd >= 9.02197 and attr rmsd <= 9.141971 )
(( attr rmsd >= 0.6334009 and attr rmsd <= 0.7134009 )
and bondedto ( attr rmsd >= 17.58142 and attr rmsd <= 19.18142 ))
3.0 3.0 0.5999999
peak 286 ppm1 9.08197 ppm2 0.6734009 volume 25099998 weight 1.0
REMARK dnoe: 3.149615 position 0.6718292 9.876797
ASSI { 287 }
( attr rmsd >= 9.816796 and attr rmsd <= 9.936797 )
(( attr rmsd >= 0.6318292 and attr rmsd <= 0.7118292 )
and bondedto ( attr rmsd >= 17.62429 and attr rmsd <= 19.22429 ))
3.6 3.6 1.4
peak 287 ppm1 9.876797 ppm2 0.6718292 volume 7780000 weight 1.0
REMARK dnoe: 2.669218 position 3.730276 7.897026
ASSI { 288 }
( attr rmsd >= 7.837026 and attr rmsd <= 7.957026 )
(( attr rmsd >= 3.690276 and attr rmsd <= 3.770276 )
and bondedto ( attr rmsd >= 45.60751 and attr rmsd <= 47.20751 ))
3.0 3.0 0.5999999
peak 288 ppm1 7.897026 ppm2 3.730276 volume 21000000 weight 1.0
REMARK dnoe: 2.934244 position 3.724109 6.855754
ASSI { 289 }
( attr rmsd >= 6.795754 and attr rmsd <= 6.915754 )
(( attr rmsd >= 3.684109 and attr rmsd <= 3.764109 )
and bondedto ( attr rmsd >= 45.58476 and attr rmsd <= 47.18476 ))
3.0 3.0 0.5999999
peak 289 ppm1 6.855754 ppm2 3.724109 volume 11900000 weight 1.0
REMARK dnoe: 2.914185 position 3.721037 6.670555
ASSI { 290 }
( attr rmsd >= 6.610555 and attr rmsd <= 6.730555 )
(( attr rmsd >= 3.681037 and attr rmsd <= 3.761037 )
and bondedto ( attr rmsd >= 45.58476 and attr rmsd <= 47.18476 ))
3.0 3.0 0.5999999
peak 290 ppm1 6.670555 ppm2 3.721037 volume 12400000 weight 1.0
REMARK dnoe: 2.144889 position 3.743196 4.100922
ASSI { 291 }
( attr rmsd >= 4.040922 and attr rmsd <= 4.160922 )
(( attr rmsd >= 3.703196 and attr rmsd <= 3.783196 )
and bondedto ( attr rmsd >= 45.24374 and attr rmsd <= 46.84374 ))
2.5 2.5 0.2
peak 291 ppm1 4.100922 ppm2 3.743196 volume 78000000 weight 1.0
REMARK dnoe: 1.980123 position 3.602973 4.099031
ASSI { 292 }
( attr rmsd >= 4.039031 and attr rmsd <= 4.159031 )
(( attr rmsd >= 3.562973 and attr rmsd <= 3.642973 )
and bondedto ( attr rmsd >= 45.08449 and attr rmsd <= 46.68449 ))
2.5 2.5 0.2
peak 292 ppm1 4.099031 ppm2 3.602973 volume 126000000 weight 1.0
REMARK dnoe: 2.136749 position 4.106699 3.731231
ASSI { 293 }
( attr rmsd >= 3.671231 and attr rmsd <= 3.791231 )
(( attr rmsd >= 4.066699 and attr rmsd <= 4.146699 )
and bondedto ( attr rmsd >= 45.22098 and attr rmsd <= 46.82098 ))
2.5 2.5 0.2
peak 293 ppm1 3.731231 ppm2 4.106699 volume 79800000 weight 1.0
REMARK dnoe: 2.034808 position 4.094482 3.591703
ASSI { 294 }
( attr rmsd >= 3.531703 and attr rmsd <= 3.651703 )
(( attr rmsd >= 4.054482 and attr rmsd <= 4.134482 )
and bondedto ( attr rmsd >= 45.19824 and attr rmsd <= 46.79824 ))
2.5 2.5 0.2
peak 294 ppm1 3.591703 ppm2 4.094482 volume 107000000 weight 1.0
REMARK dnoe: 2.972957 position 1.845253 9.126289
ASSI { 295 }
( attr rmsd >= 9.066289 and attr rmsd <= 9.18629 )
(( attr rmsd >= 1.805253 and attr rmsd <= 1.885253 )
and bondedto ( attr rmsd >= 45.14202 and attr rmsd <= 46.74202 ))
3.0 3.0 0.5999999
peak 295 ppm1 9.126289 ppm2 1.845253 volume 11000000 weight 1.0
REMARK dnoe: 3.000879 position 1.097847 9.126289
ASSI { 296 }
( attr rmsd >= 9.066289 and attr rmsd <= 9.18629 )
(( attr rmsd >= 1.057847 and attr rmsd <= 1.137847 )
and bondedto ( attr rmsd >= 45.05321 and attr rmsd <= 46.65321 ))
3.6 3.6 1.4
peak 296 ppm1 9.126289 ppm2 1.097847 volume 10400000 weight 1.0
REMARK dnoe: 3.258911 position 3.606021 8.699993
ASSI { 297 }
( attr rmsd >= 8.639993 and attr rmsd <= 8.759994 )
(( attr rmsd >= 3.566021 and attr rmsd <= 3.646021 )
and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
3.6 3.6 1.4
peak 297 ppm1 8.699993 ppm2 3.606021 volume 6340000 weight 1.0
REMARK dnoe: 3.145584 position 4.104284 8.699993
ASSI { 298 }
( attr rmsd >= 8.639993 and attr rmsd <= 8.759994 )
(( attr rmsd >= 4.064284 and attr rmsd <= 4.144284 )
and bondedto ( attr rmsd >= 45.07814 and attr rmsd <= 46.67814 ))
3.6 3.6 1.4
peak 298 ppm1 8.699993 ppm2 4.104284 volume 7840000 weight 1.0
REMARK dnoe: 3.276367 position 4.095514 7.150406
ASSI { 299 }
( attr rmsd >= 7.090406 and attr rmsd <= 7.210406 )
(( attr rmsd >= 4.055514 and attr rmsd <= 4.135514 )
and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
3.6 3.6 1.4
peak 299 ppm1 7.150406 ppm2 4.095514 volume 6140000 weight 1.0
REMARK dnoe: 3.505905 position 3.607897 7.153521
ASSI { 300 }
( attr rmsd >= 7.093521 and attr rmsd <= 7.213521 )
(( attr rmsd >= 3.567897 and attr rmsd <= 3.647897 )
and bondedto ( attr rmsd >= 45.15317 and attr rmsd <= 46.75317 ))
3.6 3.6 1.4
peak 300 ppm1 7.153521 ppm2 3.607897 volume 4090000 weight 1.0
REMARK dnoe: 3.289901 position 1.845581 6.833326
ASSI { 301 }
( attr rmsd >= 6.773326 and attr rmsd <= 6.893326 )
(( attr rmsd >= 1.805581 and attr rmsd <= 1.885581 )
and bondedto ( attr rmsd >= 45.20305 and attr rmsd <= 46.80305 ))
3.6 3.6 1.4
peak 301 ppm1 6.833326 ppm2 1.845581 volume 5990000 weight 1.0
REMARK dnoe: 3.586267 position 1.098245 6.830212
ASSI { 302 }
( attr rmsd >= 6.770212 and attr rmsd <= 6.890212 )
(( attr rmsd >= 1.058245 and attr rmsd <= 1.138245 )
and bondedto ( attr rmsd >= 45.20305 and attr rmsd <= 46.80305 ))
3.6 3.6 1.4
peak 302 ppm1 6.830212 ppm2 1.098245 volume 3570000 weight 1.0
REMARK dnoe: 3.068975 position 1.845253 5.414739
ASSI { 303 }
( attr rmsd >= 5.354739 and attr rmsd <= 5.474739 )
(( attr rmsd >= 1.805253 and attr rmsd <= 1.885253 )
and bondedto ( attr rmsd >= 45.11183 and attr rmsd <= 46.71183 ))
3.6 3.6 1.4
peak 303 ppm1 5.414739 ppm2 1.845253 volume 9090000 weight 1.0
REMARK dnoe: 3.015554 position 1.094494 5.414739
ASSI { 304 }
( attr rmsd >= 5.354739 and attr rmsd <= 5.474739 )
(( attr rmsd >= 1.054494 and attr rmsd <= 1.134494 )
and bondedto ( attr rmsd >= 45.10505 and attr rmsd <= 46.70505 ))
3.6 3.6 1.4
peak 304 ppm1 5.414739 ppm2 1.094494 volume 10100000 weight 1.0
REMARK dnoe: 3.434186 position 1.100895 4.727067
ASSI { 305 }
( attr rmsd >= 4.667067 and attr rmsd <= 4.787067 )
(( attr rmsd >= 1.060895 and attr rmsd <= 1.140895 )
and bondedto ( attr rmsd >= 45.10308 and attr rmsd <= 46.70308 ))
3.6 3.6 1.4
peak 305 ppm1 4.727067 ppm2 1.100895 volume 4630000 weight 1.0
REMARK dnoe: 3.429266 position 1.850881 4.723953
ASSI { 306 }
( attr rmsd >= 4.663953 and attr rmsd <= 4.783953 )
(( attr rmsd >= 1.810881 and attr rmsd <= 1.890881 )
and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
3.6 3.6 1.4
peak 306 ppm1 4.723953 ppm2 1.850881 volume 4670000 weight 1.0
REMARK dnoe: 2.887634 position 4.106113 4.506143
ASSI { 307 }
( attr rmsd >= 4.446143 and attr rmsd <= 4.566143 )
(( attr rmsd >= 4.066113 and attr rmsd <= 4.146113 )
and bondedto ( attr rmsd >= 45.05321 and attr rmsd <= 46.65321 ))
3.0 3.0 0.5999999
peak 307 ppm1 4.506143 ppm2 4.106113 volume 13100000 weight 1.0
REMARK dnoe: 2.930154 position 3.613196 4.49059
ASSI { 308 }
( attr rmsd >= 4.43059 and attr rmsd <= 4.55059 )
(( attr rmsd >= 3.573196 and attr rmsd <= 3.653196 )
and bondedto ( attr rmsd >= 45.07814 and attr rmsd <= 46.67814 ))
3.0 3.0 0.5999999
peak 308 ppm1 4.49059 ppm2 3.613196 volume 12000000 weight 1.0
REMARK dnoe: 2.385638 position 1.091398 1.835736
ASSI { 309 }
( attr rmsd >= 1.775736 and attr rmsd <= 1.895736 )
(( attr rmsd >= 1.051398 and attr rmsd <= 1.131398 )
and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
2.5 2.5 0.2
peak 309 ppm1 1.835736 ppm2 1.091398 volume 41200000 weight 1.0
REMARK dnoe: 2.394435 position 1.845487 1.083231
ASSI { 310 }
( attr rmsd >= 1.023231 and attr rmsd <= 1.143231 )
(( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )
and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
2.5 2.5 0.2
peak 310 ppm1 1.083231 ppm2 1.845487 volume 40300000 weight 1.0
REMARK dnoe: 3.098652 position 1.845487 1.512599
ASSI { 311 }
( attr rmsd >= 1.452599 and attr rmsd <= 1.572599 )
(( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )
and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
3.6 3.6 1.4
peak 311 ppm1 1.512599 ppm2 1.845487 volume 8580000 weight 1.0
REMARK dnoe: 3.331002 position 1.091352 1.508173
ASSI { 312 }
( attr rmsd >= 1.448173 and attr rmsd <= 1.568173 )
(( attr rmsd >= 1.051352 and attr rmsd <= 1.131352 )
and bondedto ( attr rmsd >= 44.99349 and attr rmsd <= 46.59349 ))
3.6 3.6 1.4
peak 312 ppm1 1.508173 ppm2 1.091352 volume 5560000 weight 1.0
REMARK dnoe: 2.538249 position 1.845487 0.9637022
ASSI { 313 }
( attr rmsd >= 0.9037022 and attr rmsd <= 1.023702 )
(( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )
and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
3.0 3.0 0.5999999
peak 313 ppm1 0.9637022 ppm2 1.845487 volume 28400000 weight 1.0
REMARK dnoe: 2.675627 position 1.094728 0.9437881
ASSI { 314 }
( attr rmsd >= 0.8837881 and attr rmsd <= 1.003788 )
(( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )
and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
3.0 3.0 0.5999999
peak 314 ppm1 0.9437881 ppm2 1.094728 volume 20700000 weight 1.0
REMARK dnoe: 2.500118 position 1.842111 0.7025416
ASSI { 315 }
( attr rmsd >= 0.6425416 and attr rmsd <= 0.7625416 )
(( attr rmsd >= 1.802111 and attr rmsd <= 1.882111 )
and bondedto ( attr rmsd >= 44.97096 and attr rmsd <= 46.57096 ))
3.0 3.0 0.5999999
peak 315 ppm1 0.7025416 ppm2 1.842111 volume 31099998 weight 1.0
REMARK dnoe: 2.682145 position 1.094728 0.6981163
ASSI { 316 }
( attr rmsd >= 0.6381163 and attr rmsd <= 0.7581163 )
(( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )
and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
3.0 3.0 0.5999999
peak 316 ppm1 0.6981163 ppm2 1.094728 volume 20400000 weight 1.0
REMARK dnoe: 2.603289 position 1.091352 0.5387602
ASSI { 317 }
( attr rmsd >= 0.4787602 and attr rmsd <= 0.5987602 )
(( attr rmsd >= 1.051352 and attr rmsd <= 1.131352 )
and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
3.0 3.0 0.5999999
peak 317 ppm1 0.5387602 ppm2 1.091352 volume 24400000 weight 1.0
REMARK dnoe: 2.512385 position 1.845487 0.5498233
ASSI { 318 }
( attr rmsd >= 0.4898233 and attr rmsd <= 0.6098233 )
(( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )
and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
3.0 3.0 0.5999999
peak 318 ppm1 0.5498233 ppm2 1.845487 volume 30199998 weight 1.0
REMARK dnoe: 2.959654 position 1.845487 0.2532597
ASSI { 319 }
( attr rmsd >= 0.1932597 and attr rmsd <= 0.3132597 )
(( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )
and bondedto ( attr rmsd >= 45.03899 and attr rmsd <= 46.63899 ))
3.0 3.0 0.5999999
peak 319 ppm1 0.2532597 ppm2 1.845487 volume 11300000 weight 1.0
REMARK dnoe: 3.024606 position 1.094728 0.2554722
ASSI { 320 }
( attr rmsd >= 0.1954722 and attr rmsd <= 0.3154722 )
(( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )
and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
3.6 3.6 1.4
peak 320 ppm1 0.2554722 ppm2 1.094728 volume 9920000 weight 1.0
REMARK dnoe: 2.358744 position 2.044333 0.6927667
ASSI { 321 }
( attr rmsd >= 0.6327667 and attr rmsd <= 0.7527667 )
(( attr rmsd >= 2.004333 and attr rmsd <= 2.084333 )
and bondedto ( attr rmsd >= 44.67522 and attr rmsd <= 46.27522 ))
2.5 2.5 0.2
peak 321 ppm1 0.6927667 ppm2 2.044333 volume 44100000 weight 1.0
REMARK dnoe: 2.356081 position 2.038025 1.272361
ASSI { 322 }
( attr rmsd >= 1.212361 and attr rmsd <= 1.332361 )
(( attr rmsd >= 1.998025 and attr rmsd <= 2.078025 )
and bondedto ( attr rmsd >= 44.62994 and attr rmsd <= 46.22994 ))
2.5 2.5 0.2
peak 322 ppm1 1.272361 ppm2 2.038025 volume 44400000 weight 1.0
REMARK dnoe: 2.652637 position 2.041191 1.460396
ASSI { 323 }
( attr rmsd >= 1.400396 and attr rmsd <= 1.520396 )
(( attr rmsd >= 2.001191 and attr rmsd <= 2.081191 )
and bondedto ( attr rmsd >= 44.58444 and attr rmsd <= 46.18444 ))
3.0 3.0 0.5999999
peak 323 ppm1 1.460396 ppm2 2.041191 volume 21800000 weight 1.0
REMARK dnoe: 2.39842 position 1.276948 0.6883416
ASSI { 324 }
( attr rmsd >= 0.6283416 and attr rmsd <= 0.7483416 )
(( attr rmsd >= 1.236948 and attr rmsd <= 1.316948 )
and bondedto ( attr rmsd >= 44.72072 and attr rmsd <= 46.32072 ))
2.5 2.5 0.2
peak 324 ppm1 0.6883416 ppm2 1.276948 volume 39900000 weight 1.0
REMARK dnoe: 2.832704 position 1.276948 1.464822
ASSI { 325 }
( attr rmsd >= 1.404822 and attr rmsd <= 1.524822 )
(( attr rmsd >= 1.236948 and attr rmsd <= 1.316948 )
and bondedto ( attr rmsd >= 44.62994 and attr rmsd <= 46.22994 ))
3.0 3.0 0.5999999
peak 325 ppm1 1.464822 ppm2 1.276948 volume 14700000 weight 1.0
REMARK dnoe: 2.460838 position 1.270617 2.031161
ASSI { 326 }
( attr rmsd >= 1.971161 and attr rmsd <= 2.091161 )
(( attr rmsd >= 1.230617 and attr rmsd <= 1.310617 )
and bondedto ( attr rmsd >= 44.69797 and attr rmsd <= 46.29797 ))
2.5 2.5 0.2
peak 326 ppm1 2.031161 ppm2 1.270617 volume 34200000 weight 1.0
REMARK dnoe: 3.435424 position 2.046513 4.123005
ASSI { 327 }
( attr rmsd >= 4.063005 and attr rmsd <= 4.183005 )
(( attr rmsd >= 2.006513 and attr rmsd <= 2.086513 )
and bondedto ( attr rmsd >= 44.58597 and attr rmsd <= 46.18597 ))
3.6 3.6 1.4
peak 327 ppm1 4.123005 ppm2 2.046513 volume 4620000 weight 1.0
REMARK dnoe: 3.370537 position 1.264591 4.143435
ASSI { 328 }
( attr rmsd >= 4.083435 and attr rmsd <= 4.203435 )
(( attr rmsd >= 1.224591 and attr rmsd <= 1.304591 )
and bondedto ( attr rmsd >= 44.63388 and attr rmsd <= 46.23388 ))
3.6 3.6 1.4
peak 328 ppm1 4.143435 ppm2 1.264591 volume 5180000 weight 1.0
REMARK dnoe: 2.629053 position 3.557036 0.7495232
ASSI { 329 }
( attr rmsd >= 0.6895232 and attr rmsd <= 0.8095232 )
(( attr rmsd >= 3.517036 and attr rmsd <= 3.597036 )
and bondedto ( attr rmsd >= 44.71700 and attr rmsd <= 46.31700 ))
3.0 3.0 0.5999999
peak 329 ppm1 0.7495232 ppm2 3.557036 volume 23000000 weight 1.0
REMARK dnoe: 2.741228 position 4.117204 0.7378583
ASSI { 330 }
( attr rmsd >= 0.6778583 and attr rmsd <= 0.7978583 )
(( attr rmsd >= 4.077204 and attr rmsd <= 4.157204 )
and bondedto ( attr rmsd >= 44.72991 and attr rmsd <= 46.32991 ))
3.0 3.0 0.5999999
peak 330 ppm1 0.7378583 ppm2 4.117204 volume 17900000 weight 1.0
REMARK dnoe: 1.927719 position 4.13812 3.55093
ASSI { 331 }
( attr rmsd >= 3.49093 and attr rmsd <= 3.61093 )
(( attr rmsd >= 4.09812 and attr rmsd <= 4.17812 )
and bondedto ( attr rmsd >= 44.72072 and attr rmsd <= 46.32072 ))
2.5 2.5 0.2
peak 331 ppm1 3.55093 ppm2 4.13812 volume 148000000 weight 1.0
REMARK dnoe: 2.022399 position 3.54414 4.123005
ASSI { 332 }
( attr rmsd >= 4.063005 and attr rmsd <= 4.183005 )
(( attr rmsd >= 3.50414 and attr rmsd <= 3.58414 )
and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
2.5 2.5 0.2
peak 332 ppm1 4.123005 ppm2 3.54414 volume 111000000 weight 1.0
REMARK dnoe: 3.146254 position 2.036313 5.392419
ASSI { 333 }
( attr rmsd >= 5.332419 and attr rmsd <= 5.452419 )
(( attr rmsd >= 1.996313 and attr rmsd <= 2.076313 )
and bondedto ( attr rmsd >= 44.77781 and attr rmsd <= 46.37781 ))
3.6 3.6 1.4
peak 333 ppm1 5.392419 ppm2 2.036313 volume 7830000 weight 1.0
REMARK dnoe: 3.205563 position 1.264591 5.392419
ASSI { 334 }
( attr rmsd >= 5.332419 and attr rmsd <= 5.452419 )
(( attr rmsd >= 1.224591 and attr rmsd <= 1.304591 )
and bondedto ( attr rmsd >= 44.70584 and attr rmsd <= 46.30584 ))
3.6 3.6 1.4
peak 334 ppm1 5.392419 ppm2 1.264591 volume 7000000 weight 1.0
REMARK dnoe: 3.366218 position 4.135026 7.925447
ASSI { 335 }
( attr rmsd >= 7.865447 and attr rmsd <= 7.985447 )
(( attr rmsd >= 4.095026 and attr rmsd <= 4.175026 )
and bondedto ( attr rmsd >= 44.80187 and attr rmsd <= 46.40187 ))
3.6 3.6 1.4
peak 335 ppm1 7.925447 ppm2 4.135026 volume 5220000 weight 1.0
REMARK dnoe: 3.34622 position 3.554316 7.925447
ASSI { 336 }
( attr rmsd >= 7.865447 and attr rmsd <= 7.985447 )
(( attr rmsd >= 3.514316 and attr rmsd <= 3.594316 )
and bondedto ( attr rmsd >= 44.92174 and attr rmsd <= 46.52174 ))
3.6 3.6 1.4
peak 336 ppm1 7.925447 ppm2 3.554316 volume 5410000 weight 1.0
REMARK dnoe: 3.101672 position 2.051602 6.860287
ASSI { 337 }
( attr rmsd >= 6.800287 and attr rmsd <= 6.920287 )
(( attr rmsd >= 2.011602 and attr rmsd <= 2.091602 )
and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
3.6 3.6 1.4
peak 337 ppm1 6.860287 ppm2 2.051602 volume 8530000 weight 1.0
REMARK dnoe: 2.991367 position 1.267124 6.863209
ASSI { 338 }
( attr rmsd >= 6.803209 and attr rmsd <= 6.923209 )
(( attr rmsd >= 1.227124 and attr rmsd <= 1.307124 )
and bondedto ( attr rmsd >= 44.63388 and attr rmsd <= 46.23388 ))
3.0 3.0 0.5999999
peak 338 ppm1 6.863209 ppm2 1.267124 volume 10600000 weight 1.0
REMARK dnoe: 2.914185 position 2.036313 9.226976
ASSI { 339 }
( attr rmsd >= 9.166976 and attr rmsd <= 9.286977 )
(( attr rmsd >= 1.996313 and attr rmsd <= 2.076313 )
and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
3.0 3.0 0.5999999
peak 339 ppm1 9.226976 ppm2 2.036313 volume 12400000 weight 1.0
REMARK dnoe: 3.015554 position 1.256947 9.200704
ASSI { 340 }
( attr rmsd >= 9.140703 and attr rmsd <= 9.260704 )
(( attr rmsd >= 1.216947 and attr rmsd <= 1.296947 )
and bondedto ( attr rmsd >= 44.60982 and attr rmsd <= 46.20982 ))
3.6 3.6 1.4
peak 340 ppm1 9.200704 ppm2 1.256947 volume 10100000 weight 1.0
REMARK dnoe: 3.49321 position 0.7130523 9.854412
ASSI { 341 }
( attr rmsd >= 9.794412 and attr rmsd <= 9.914412 )
(( attr rmsd >= 0.6730523 and attr rmsd <= 0.7530523 )
and bondedto ( attr rmsd >= 16.88691 and attr rmsd <= 18.48691 ))
3.6 3.6 1.4
peak 341 ppm1 9.854412 ppm2 0.7130523 volume 0.418e+07 weight 1.0
REMARK dnoe: 3.401898 position 0.1688299 9.847216
ASSI { 342 }
( attr rmsd >= 9.787215 and attr rmsd <= 9.907216 )
(( attr rmsd >= 0.1288299 and attr rmsd <= 0.2088299 )
and bondedto ( attr rmsd >= 16.92147 and attr rmsd <= 18.52147 ))
3.6 3.6 1.4
peak 342 ppm1 9.847216 ppm2 0.1688299 volume 4900000 weight 1.0
REMARK dnoe: 3.197244 position 0.7093947 9.386633
ASSI { 343 }
( attr rmsd >= 9.326632 and attr rmsd <= 9.446633 )
(( attr rmsd >= 0.6693947 and attr rmsd <= 0.7493947 )
and bondedto ( attr rmsd >= 16.96587 and attr rmsd <= 18.56587 ))
3.6 3.6 1.4
peak 343 ppm1 9.386633 ppm2 0.7093947 volume 7110001 weight 1.0
REMARK dnoe: 2.608662 position 0.7093947 9.119823
ASSI { 344 }
( attr rmsd >= 9.059823 and attr rmsd <= 9.179824 )
(( attr rmsd >= 0.6693947 and attr rmsd <= 0.7493947 )
and bondedto ( attr rmsd >= 16.95997 and attr rmsd <= 18.55997 ))
3.0 3.0 0.5999999
peak 344 ppm1 9.119823 ppm2 0.7093947 volume 24100000 weight 1.0
REMARK dnoe: 2.982062 position 0.7613337 8.459541
ASSI { 345 }
( attr rmsd >= 8.399541 and attr rmsd <= 8.519542 )
(( attr rmsd >= 0.7213337 and attr rmsd <= 0.8013337 )
and bondedto ( attr rmsd >= 16.95449 and attr rmsd <= 18.55449 ))
3.0 3.0 0.5999999
peak 345 ppm1 8.459541 ppm2 0.7613337 volume 10800000 weight 1.0
REMARK dnoe: 3.03437 position 0.7623656 8.353655
ASSI { 346 }
( attr rmsd >= 8.293654 and attr rmsd <= 8.413655 )
(( attr rmsd >= 0.7223656 and attr rmsd <= 0.8023656 )
and bondedto ( attr rmsd >= 16.93130 and attr rmsd <= 18.53130 ))
3.6 3.6 1.4
peak 346 ppm1 8.353655 ppm2 0.7623656 volume 9730000 weight 1.0
REMARK dnoe: 3.966568 position 0.3295245 8.336769
ASSI { 347 }
( attr rmsd >= 8.276769 and attr rmsd <= 8.39677 )
(( attr rmsd >= 0.2895245 and attr rmsd <= 0.3695245 )
and bondedto ( attr rmsd >= 16.83200 and attr rmsd <= 18.43200 ))
4.2 4.2 1.8
peak 347 ppm1 8.336769 ppm2 0.3295245 volume 0.195e+07 weight 1.0
REMARK dnoe: 4.116865 position 0.3350115 8.523859
ASSI { 348 }
( attr rmsd >= 8.463859 and attr rmsd <= 8.583859 )
(( attr rmsd >= 0.2950115 and attr rmsd <= 0.3750115 )
and bondedto ( attr rmsd >= 16.93547 and attr rmsd <= 18.53547 ))
4.2 4.2 1.8
peak 348 ppm1 8.523859 ppm2 0.3350115 volume 1560000 weight 1.0
REMARK dnoe: 4.212089 position 0.1724644 8.387232
ASSI { 349 }
( attr rmsd >= 8.327231 and attr rmsd <= 8.447232 )
(( attr rmsd >= 0.1324644 and attr rmsd <= 0.2124644 )
and bondedto ( attr rmsd >= 16.97747 and attr rmsd <= 18.57747 ))
4.2 4.2 1.8
peak 349 ppm1 8.387232 ppm2 0.1724644 volume 0.136e+07 weight 1.0
REMARK dnoe: 3.210937 position 0.3290558 7.708969
ASSI { 350 }
( attr rmsd >= 7.648969 and attr rmsd <= 7.768969 )
(( attr rmsd >= 0.2890558 and attr rmsd <= 0.3690558 )
and bondedto ( attr rmsd >= 16.88494 and attr rmsd <= 18.48494 ))
3.6 3.6 1.4
peak 350 ppm1 7.708969 ppm2 0.3290558 volume 6930000 weight 1.0
REMARK dnoe: 3.259768 position 0.1716909 7.342759
ASSI { 351 }
( attr rmsd >= 7.282759 and attr rmsd <= 7.402759 )
(( attr rmsd >= 0.1316909 and attr rmsd <= 0.2116909 )
and bondedto ( attr rmsd >= 16.99102 and attr rmsd <= 18.59102 ))
3.6 3.6 1.4
peak 351 ppm1 7.342759 ppm2 0.1716909 volume 6330000 weight 1.0
REMARK dnoe: 3.133055 position 0.5906968 6.852962
ASSI { 352 }
( attr rmsd >= 6.792962 and attr rmsd <= 6.912962 )
(( attr rmsd >= 0.5506968 and attr rmsd <= 0.6306968 )
and bondedto ( attr rmsd >= 16.72854 and attr rmsd <= 18.32854 ))
3.6 3.6 1.4
peak 352 ppm1 6.852962 ppm2 0.5906968 volume 0.803e+07 weight 1.0
REMARK dnoe: 3.267558 position 0.5943551 6.718331
ASSI { 353 }
( attr rmsd >= 6.658331 and attr rmsd <= 6.778331 )
(( attr rmsd >= 0.5543551 and attr rmsd <= 0.6343551 )
and bondedto ( attr rmsd >= 16.71060 and attr rmsd <= 18.31060 ))
3.6 3.6 1.4
peak 353 ppm1 6.718331 ppm2 0.5943551 volume 6240000 weight 1.0
REMARK dnoe: 3.593009 position 0.5961604 6.564819
ASSI { 354 }
( attr rmsd >= 6.504819 and attr rmsd <= 6.624819 )
(( attr rmsd >= 0.5561604 and attr rmsd <= 0.6361604 )
and bondedto ( attr rmsd >= 16.77731 and attr rmsd <= 18.37731 ))
3.6 3.6 1.4
peak 354 ppm1 6.564819 ppm2 0.5961604 volume 0.353e+07 weight 1.0
REMARK dnoe: 3.776045 position 0.3331823 6.840137
ASSI { 355 }
( attr rmsd >= 6.780137 and attr rmsd <= 6.900137 )
(( attr rmsd >= 0.2931823 and attr rmsd <= 0.3731823 )
and bondedto ( attr rmsd >= 16.81210 and attr rmsd <= 18.41210 ))
4.2 4.2 1.8
peak 355 ppm1 6.840137 ppm2 0.3331823 volume 2620000 weight 1.0
REMARK dnoe: 3.976831 position 0.3258901 6.682886
ASSI { 356 }
( attr rmsd >= 6.622886 and attr rmsd <= 6.742886 )
(( attr rmsd >= 0.2858901 and attr rmsd <= 0.3658901 )
and bondedto ( attr rmsd >= 16.72941 and attr rmsd <= 18.32941 ))
4.2 4.2 1.8
peak 356 ppm1 6.682886 ppm2 0.3258901 volume 1920000 weight 1.0
REMARK dnoe: 3.556986 position 0.1670008 6.574335
ASSI { 357 }
( attr rmsd >= 6.514335 and attr rmsd <= 6.634335 )
(( attr rmsd >= 0.1270008 and attr rmsd <= 0.2070008 )
and bondedto ( attr rmsd >= 16.86984 and attr rmsd <= 18.46984 ))
3.6 3.6 1.4
peak 357 ppm1 6.574335 ppm2 0.1670008 volume 3750000 weight 1.0
REMARK dnoe: 3.700031 position 0.1706357 6.73236
ASSI { 358 }
( attr rmsd >= 6.67236 and attr rmsd <= 6.79236 )
(( attr rmsd >= 0.1306357 and attr rmsd <= 0.2106357 )
and bondedto ( attr rmsd >= 16.86984 and attr rmsd <= 18.46984 ))
4.2 4.2 1.8
peak 358 ppm1 6.73236 ppm2 0.1706357 volume 2960000 weight 1.0
REMARK dnoe: 3.458254 position 0.1742935 6.876764
ASSI { 359 }
( attr rmsd >= 6.816764 and attr rmsd <= 6.936764 )
(( attr rmsd >= 0.1342935 and attr rmsd <= 0.2142935 )
and bondedto ( attr rmsd >= 16.91665 and attr rmsd <= 18.51665 ))
3.6 3.6 1.4
peak 359 ppm1 6.876764 ppm2 0.1742935 volume 4440000 weight 1.0
REMARK dnoe: 3.553834 position 0.1724644 7.02699
ASSI { 360 }
( attr rmsd >= 6.96699 and attr rmsd <= 7.08699 )
(( attr rmsd >= 0.1324644 and attr rmsd <= 0.2124644 )
and bondedto ( attr rmsd >= 16.99672 and attr rmsd <= 18.59672 ))
3.6 3.6 1.4
peak 360 ppm1 7.02699 ppm2 0.1724644 volume 3770000 weight 1.0
REMARK dnoe: 3.31336 position 0.5986929 9.003946
ASSI { 361 }
( attr rmsd >= 8.943946 and attr rmsd <= 9.063947 )
(( attr rmsd >= 0.5586929 and attr rmsd <= 0.6386929 )
and bondedto ( attr rmsd >= 16.77906 and attr rmsd <= 18.37906 ))
3.6 3.6 1.4
peak 361 ppm1 9.003946 ppm2 0.5986929 volume 5740000 weight 1.0
REMARK dnoe: 3.218725 position 0.7089961 5.644536
ASSI { 362 }
( attr rmsd >= 5.584536 and attr rmsd <= 5.704536 )
(( attr rmsd >= 0.6689961 and attr rmsd <= 0.7489961 )
and bondedto ( attr rmsd >= 16.78191 and attr rmsd <= 18.38191 ))
3.6 3.6 1.4
peak 362 ppm1 5.644536 ppm2 0.7089961 volume 6830001 weight 1.0
REMARK dnoe: 3.280836 position 0.7117863 5.44997
ASSI { 363 }
( attr rmsd >= 5.38997 and attr rmsd <= 5.50997 )
(( attr rmsd >= 0.6717863 and attr rmsd <= 0.7517864 )
and bondedto ( attr rmsd >= 16.81691 and attr rmsd <= 18.41691 ))
3.6 3.6 1.4
peak 363 ppm1 5.44997 ppm2 0.7117863 volume 6090001 weight 1.0
REMARK dnoe: 2.658771 position 0.7641237 4.259182
ASSI { 364 }
( attr rmsd >= 4.199182 and attr rmsd <= 4.319182 )
(( attr rmsd >= 0.7241237 and attr rmsd <= 0.8041237 )
and bondedto ( attr rmsd >= 16.91183 and attr rmsd <= 18.51183 ))
3.0 3.0 0.5999999
peak 364 ppm1 4.259182 ppm2 0.7641237 volume 21500000 weight 1.0
REMARK dnoe: 2.773115 position 0.5954099 4.272264
ASSI { 365 }
( attr rmsd >= 4.212264 and attr rmsd <= 4.332264 )
(( attr rmsd >= 0.5554099 and attr rmsd <= 0.63541 )
and bondedto ( attr rmsd >= 16.73269 and attr rmsd <= 18.33269 ))
3.0 3.0 0.5999999
peak 365 ppm1 4.272264 ppm2 0.5954099 volume 16700000 weight 1.0
REMARK dnoe: 3.370537 position 0.3393025 4.322512
ASSI { 366 }
( attr rmsd >= 4.262512 and attr rmsd <= 4.382512 )
(( attr rmsd >= 0.2993025 and attr rmsd <= 0.3793025 )
and bondedto ( attr rmsd >= 16.78802 and attr rmsd <= 18.38802 ))
3.6 3.6 1.4
peak 366 ppm1 4.322512 ppm2 0.3393025 volume 5180000 weight 1.0
REMARK dnoe: 2.845758 position 0.7620835 4.13699
ASSI { 367 }
( attr rmsd >= 4.07699 and attr rmsd <= 4.19699 )
(( attr rmsd >= 0.7220834 and attr rmsd <= 0.8020835 )
and bondedto ( attr rmsd >= 16.94619 and attr rmsd <= 18.54619 ))
3.0 3.0 0.5999999
peak 367 ppm1 4.13699 ppm2 0.7620835 volume 14300001 weight 1.0
REMARK dnoe: 2.951012 position 0.5893135 4.081716
ASSI { 368 }
( attr rmsd >= 4.021716 and attr rmsd <= 4.141716 )
(( attr rmsd >= 0.5493135 and attr rmsd <= 0.6293135 )
and bondedto ( attr rmsd >= 16.76966 and attr rmsd <= 18.36966 ))
3.0 3.0 0.5999999
peak 368 ppm1 4.081716 ppm2 0.5893135 volume 11500000 weight 1.0
REMARK dnoe: 2.377061 position 0.6987252 4.737572
ASSI { 369 }
( attr rmsd >= 4.677572 and attr rmsd <= 4.797572 )
(( attr rmsd >= 0.6587252 and attr rmsd <= 0.7387252 )
and bondedto ( attr rmsd >= 16.88122 and attr rmsd <= 18.48122 ))
2.5 2.5 0.2
peak 369 ppm1 4.737572 ppm2 0.6987252 volume 42100000 weight 1.0
REMARK dnoe: 3.426825 position 0.1766853 4.101007
ASSI { 370 }
( attr rmsd >= 4.041007 and attr rmsd <= 4.161007 )
(( attr rmsd >= 0.1366853 and attr rmsd <= 0.2166853 )
and bondedto ( attr rmsd >= 16.95559 and attr rmsd <= 18.55559 ))
3.6 3.6 1.4
peak 370 ppm1 4.101007 ppm2 0.1766853 volume 4690000 weight 1.0
REMARK dnoe: 3.656084 position 0.170589 4.251599
ASSI { 371 }
( attr rmsd >= 4.191599 and attr rmsd <= 4.311599 )
(( attr rmsd >= 0.130589 and attr rmsd <= 0.210589 )
and bondedto ( attr rmsd >= 16.95144 and attr rmsd <= 18.55144 ))
4.2 4.2 1.8
peak 371 ppm1 4.251599 ppm2 0.170589 volume 3180000 weight 1.0
REMARK dnoe: 2.756849 position 0.7641237 3.584615
ASSI { 372 }
( attr rmsd >= 3.524615 and attr rmsd <= 3.644615 )
(( attr rmsd >= 0.7241237 and attr rmsd <= 0.8041237 )
and bondedto ( attr rmsd >= 16.93043 and attr rmsd <= 18.53043 ))
3.0 3.0 0.5999999
peak 372 ppm1 3.584615 ppm2 0.7641237 volume 17300000 weight 1.0
REMARK dnoe: 2.778689 position 0.5954099 3.790265
ASSI { 373 }
( attr rmsd >= 3.730265 and attr rmsd <= 3.850265 )
(( attr rmsd >= 0.5554099 and attr rmsd <= 0.63541 )
and bondedto ( attr rmsd >= 16.78082 and attr rmsd <= 18.38082 ))
3.0 3.0 0.5999999
peak 373 ppm1 3.790265 ppm2 0.5954099 volume 16500001 weight 1.0
REMARK dnoe: 2.914185 position 0.5974498 3.532541
ASSI { 374 }
( attr rmsd >= 3.472541 and attr rmsd <= 3.592541 )
(( attr rmsd >= 0.5574498 and attr rmsd <= 0.6374498 )
and bondedto ( attr rmsd >= 16.77293 and attr rmsd <= 18.37293 ))
3.0 3.0 0.5999999
peak 374 ppm1 3.532541 ppm2 0.5974498 volume 12400000 weight 1.0
REMARK dnoe: 2.880351 position 0.3332062 3.659781
ASSI { 375 }
( attr rmsd >= 3.599781 and attr rmsd <= 3.719781 )
(( attr rmsd >= 0.2932062 and attr rmsd <= 0.3732062 )
and bondedto ( attr rmsd >= 16.92300 and attr rmsd <= 18.52300 ))
3.0 3.0 0.5999999
peak 375 ppm1 3.659781 ppm2 0.3332062 volume 13300000 weight 1.0
REMARK dnoe: 2.754202 position 0.1726055 3.734926
ASSI { 376 }
( attr rmsd >= 3.674926 and attr rmsd <= 3.794926 )
(( attr rmsd >= 0.1326055 and attr rmsd <= 0.2126055 )
and bondedto ( attr rmsd >= 16.96347 and attr rmsd <= 18.56347 ))
3.0 3.0 0.5999999
peak 376 ppm1 3.734926 ppm2 0.1726055 volume 17400000 weight 1.0
REMARK dnoe: 2.977485 position 0.3372631 3.757462
ASSI { 377 }
( attr rmsd >= 3.697462 and attr rmsd <= 3.817462 )
(( attr rmsd >= 0.2972631 and attr rmsd <= 0.3772631 )
and bondedto ( attr rmsd >= 16.92300 and attr rmsd <= 18.52300 ))
3.0 3.0 0.5999999
peak 377 ppm1 3.757462 ppm2 0.3372631 volume 10900000 weight 1.0
REMARK dnoe: 3.176012 position 0.7115049 2.655589
ASSI { 378 }
( attr rmsd >= 2.595589 and attr rmsd <= 2.715589 )
(( attr rmsd >= 0.6715049 and attr rmsd <= 0.7515049 )
and bondedto ( attr rmsd >= 16.87465 and attr rmsd <= 18.47465 ))
3.6 3.6 1.4
peak 378 ppm1 2.655589 ppm2 0.7115049 volume 7400000 weight 1.0
REMARK dnoe: 3.354539 position 0.7615912 2.755374
ASSI { 379 }
( attr rmsd >= 2.695374 and attr rmsd <= 2.815374 )
(( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )
and bondedto ( attr rmsd >= 16.93021 and attr rmsd <= 18.53021 ))
3.6 3.6 1.4
peak 379 ppm1 2.755374 ppm2 0.7615912 volume 5330000 weight 1.0
REMARK dnoe: 3.228248 position 0.5940967 2.853505
ASSI { 380 }
( attr rmsd >= 2.793505 and attr rmsd <= 2.913505 )
(( attr rmsd >= 0.5540967 and attr rmsd <= 0.6340967 )
and bondedto ( attr rmsd >= 16.72678 and attr rmsd <= 18.32678 ))
3.6 3.6 1.4
peak 380 ppm1 2.853505 ppm2 0.5940967 volume 6710000 weight 1.0
REMARK dnoe: 3.031263 position 0.5958319 2.665169
ASSI { 381 }
( attr rmsd >= 2.605169 and attr rmsd <= 2.725169 )
(( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )
and bondedto ( attr rmsd >= 16.72001 and attr rmsd <= 18.32001 ))
3.6 3.6 1.4
peak 381 ppm1 2.665169 ppm2 0.5958319 volume 9790000 weight 1.0
REMARK dnoe: 3.115209 position 0.5958319 2.510883
ASSI { 382 }
( attr rmsd >= 2.450883 and attr rmsd <= 2.570883 )
(( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )
and bondedto ( attr rmsd >= 16.77469 and attr rmsd <= 18.37469 ))
3.6 3.6 1.4
peak 382 ppm1 2.510883 ppm2 0.5958319 volume 0.831e+07 weight 1.0
REMARK dnoe: 2.849088 position 0.763303 2.192407
ASSI { 383 }
( attr rmsd >= 2.132407 and attr rmsd <= 2.252407 )
(( attr rmsd >= 0.723303 and attr rmsd <= 0.803303 )
and bondedto ( attr rmsd >= 16.86262 and attr rmsd <= 18.46262 ))
3.0 3.0 0.5999999
peak 383 ppm1 2.192407 ppm2 0.763303 volume 14200000 weight 1.0
REMARK dnoe: 2.125792 position 0.7615912 1.721192
ASSI { 384 }
( attr rmsd >= 1.661192 and attr rmsd <= 1.781192 )
(( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )
and bondedto ( attr rmsd >= 16.91183 and attr rmsd <= 18.51183 ))
2.5 2.5 0.2
peak 384 ppm1 1.721192 ppm2 0.7615912 volume 82300000 weight 1.0
REMARK dnoe: 2.341372 position 0.7615912 1.27264
ASSI { 385 }
( attr rmsd >= 1.21264 and attr rmsd <= 1.33264 )
(( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )
and bondedto ( attr rmsd >= 16.88734 and attr rmsd <= 18.48734 ))
2.5 2.5 0.2
peak 385 ppm1 1.27264 ppm2 0.7615912 volume 46100000 weight 1.0
REMARK dnoe: 2.386604 position 0.701164 1.928969
ASSI { 386 }
( attr rmsd >= 1.868969 and attr rmsd <= 1.988969 )
(( attr rmsd >= 0.661164 and attr rmsd <= 0.741164 )
and bondedto ( attr rmsd >= 16.93240 and attr rmsd <= 18.53240 ))
2.5 2.5 0.2
peak 386 ppm1 1.928969 ppm2 0.701164 volume 41100000 weight 1.0
REMARK dnoe: 2.308359 position 0.701164 1.642351
ASSI { 387 }
( attr rmsd >= 1.582351 and attr rmsd <= 1.702351 )
(( attr rmsd >= 0.661164 and attr rmsd <= 0.741164 )
and bondedto ( attr rmsd >= 16.89784 and attr rmsd <= 18.49784 ))
2.5 2.5 0.2
peak 387 ppm1 1.642351 ppm2 0.701164 volume 50199996 weight 1.0
REMARK dnoe: 2.344775 position 0.7097933 1.382737
ASSI { 388 }
( attr rmsd >= 1.322737 and attr rmsd <= 1.442737 )
(( attr rmsd >= 0.6697933 and attr rmsd <= 0.7497934 )
and bondedto ( attr rmsd >= 16.90353 and attr rmsd <= 18.50353 ))
2.5 2.5 0.2
peak 388 ppm1 1.382737 ppm2 0.7097933 volume 45700000 weight 1.0
REMARK dnoe: 3.99081 position 0.5950584 2.108154
ASSI { 389 }
( attr rmsd >= 2.048154 and attr rmsd <= 2.168154 )
(( attr rmsd >= 0.5550584 and attr rmsd <= 0.6350584 )
and bondedto ( attr rmsd >= 16.78169 and attr rmsd <= 18.38169 ))
4.2 4.2 1.8
peak 389 ppm1 2.108154 ppm2 0.5950584 volume 0.188e+07 weight 1.0
REMARK dnoe: 3.196495 position 0.5958319 1.975908
ASSI { 390 }
( attr rmsd >= 1.915908 and attr rmsd <= 2.035908 )
(( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )
and bondedto ( attr rmsd >= 16.81582 and attr rmsd <= 18.41582 ))
3.6 3.6 1.4
peak 390 ppm1 1.975908 ppm2 0.5958319 volume 7120000 weight 1.0
REMARK dnoe: 2.356966 position 0.5958319 1.67174
ASSI { 391 }
( attr rmsd >= 1.61174 and attr rmsd <= 1.73174 )
(( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )
and bondedto ( attr rmsd >= 16.73597 and attr rmsd <= 18.33597 ))
2.5 2.5 0.2
peak 391 ppm1 1.67174 ppm2 0.5958319 volume 44300000 weight 1.0
REMARK dnoe: 2.599749 position 0.5975437 1.416658
ASSI { 392 }
( attr rmsd >= 1.356658 and attr rmsd <= 1.476658 )
(( attr rmsd >= 0.5575437 and attr rmsd <= 0.6375437 )
and bondedto ( attr rmsd >= 16.76002 and attr rmsd <= 18.36002 ))
3.0 3.0 0.5999999
peak 392 ppm1 1.416658 ppm2 0.5975437 volume 24600000 weight 1.0
REMARK dnoe: 2.964042 position 0.5958319 1.246561
ASSI { 394 }
( attr rmsd >= 1.564822 and attr rmsd <= 1.684822 )
(( attr rmsd >= 0.2968173 and attr rmsd <= 0.3768173 )
and bondedto ( attr rmsd >= 16.82281 and attr rmsd <= 18.42281 ))
3.0 3.0 0.5999999
peak 394 ppm1 1.624822 ppm2 0.3368173 volume 22800000 weight 1.0
REMARK dnoe: 3.024097 position 0.3368173 1.264434
ASSI { 395 }
( attr rmsd >= 1.204434 and attr rmsd <= 1.324434 )
(( attr rmsd >= 0.2968173 and attr rmsd <= 0.3768173 )
and bondedto ( attr rmsd >= 16.77513 and attr rmsd <= 18.37513 ))
3.6 3.6 1.4
peak 395 ppm1 1.264434 ppm2 0.3368173 volume 9930000 weight 1.0
REMARK dnoe: 2.640661 position 0.1727929 1.194036
ASSI { 396 }
( attr rmsd >= 1.134036 and attr rmsd <= 1.254036 )
(( attr rmsd >= 0.1327929 and attr rmsd <= 0.2127929 )
and bondedto ( attr rmsd >= 16.95515 and attr rmsd <= 18.55515 ))
3.0 3.0 0.5999999
peak 396 ppm1 1.194036 ppm2 0.1727929 volume 22400000 weight 1.0
REMARK dnoe: 2.895048 position 0.1704478 1.593844
ASSI { 398 }
( attr rmsd >= 1.704328 and attr rmsd <= 1.824328 )
(( attr rmsd >= 0.1327929 and attr rmsd <= 0.2127929 )
and bondedto ( attr rmsd >= 16.91709 and attr rmsd <= 18.51709 ))
3.0 3.0 0.5999999
peak 398 ppm1 1.764328 ppm2 0.1727929 volume 11000000 weight 1.0
REMARK dnoe: 2.137643 position 0.7097933 1.749613
ASSI { 399 }
( attr rmsd >= 1.689613 and attr rmsd <= 1.809613 )
(( attr rmsd >= 0.6697933 and attr rmsd <= 0.7497934 )
and bondedto ( attr rmsd >= 16.93612 and attr rmsd <= 18.53612 ))
2.5 2.5 0.2
peak 399 ppm1 1.749613 ppm2 0.7097933 volume 79600000 weight 1.0
REMARK dnoe: 2.20937 position 0.7035789 1.034895
ASSI { 400 }
( attr rmsd >= 0.9748949 and attr rmsd <= 1.094895 )
(( attr rmsd >= 0.6635789 and attr rmsd <= 0.7435789 )
and bondedto ( attr rmsd >= 16.81231 and attr rmsd <= 18.41231 ))
2.5 2.5 0.2
peak 400 ppm1 1.034895 ppm2 0.7035789 volume 65300000 weight 1.0
REMARK dnoe: 2.500118 position 0.5938625 0.9652705
ASSI { 401 }
( attr rmsd >= 0.9052705 and attr rmsd <= 1.02527 )
(( attr rmsd >= 0.5538625 and attr rmsd <= 0.6338625 )
and bondedto ( attr rmsd >= 16.73444 and attr rmsd <= 18.33444 ))
3.0 3.0 0.5999999
peak 401 ppm1 0.9652705 ppm2 0.5938625 volume 31099998 weight 1.0
REMARK dnoe: 2.368695 position 0.5955744 0.2754507
ASSI { 402 }
( attr rmsd >= 0.2154507 and attr rmsd <= 0.3354507 )
(( attr rmsd >= 0.5555744 and attr rmsd <= 0.6355744 )
and bondedto ( attr rmsd >= 16.73510 and attr rmsd <= 18.33510 ))
2.5 2.5 0.2
peak 402 ppm1 0.2754507 ppm2 0.5955744 volume 43000000 weight 1.0
REMARK dnoe: 2.855832 position 0.3350115 0.9731762
ASSI { 404 }
( attr rmsd >= 0.9131762 and attr rmsd <= 1.033176 )
(( attr rmsd >= 0.2950115 and attr rmsd <= 0.3750115 )
and bondedto ( attr rmsd >= 16.77906 and attr rmsd <= 18.37906 ))
3.0 3.0 0.5999999
peak 404 ppm1 0.9731762 ppm2 0.3350115 volume 14000000 weight 1.0
REMARK dnoe: 2.458447 position 0.3367233 0.6630783
ASSI { 405 }
( attr rmsd >= 0.6030783 and attr rmsd <= 0.7230783 )
(( attr rmsd >= 0.2967233 and attr rmsd <= 0.3767233 )
and bondedto ( attr rmsd >= 16.77382 and attr rmsd <= 18.37382 ))
2.5 2.5 0.2
peak 405 ppm1 0.6630783 ppm2 0.3367233 volume 34400000 weight 1.0
REMARK dnoe: 2.489558 position 0.1738715 1.047247
ASSI { 406 }
( attr rmsd >= 0.987247 and attr rmsd <= 1.107247 )
(( attr rmsd >= 0.1338715 and attr rmsd <= 0.2138715 )
and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
2.5 2.5 0.2
peak 406 ppm1 1.047247 ppm2 0.1738715 volume 31900000 weight 1.0
REMARK dnoe: 3.170325 position 0.1755834 0.8641319
ASSI { 407 }
( attr rmsd >= 0.8041319 and attr rmsd <= 0.9241319 )
(( attr rmsd >= 0.1355834 and attr rmsd <= 0.2155834 )
and bondedto ( attr rmsd >= 16.90178 and attr rmsd <= 18.50178 ))
3.6 3.6 1.4
peak 407 ppm1 0.8641319 ppm2 0.1755834 volume 7480001 weight 1.0
REMARK dnoe: 2.58762 position 0.1653128 -0.1897063
ASSI { 408 }
( attr rmsd >= -0.2497063 and attr rmsd <= -0.1297063 )
(( attr rmsd >= 0.1253128 and attr rmsd <= 0.2053128 )
and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
3.0 3.0 0.5999999
peak 408 ppm1 -0.1897063 ppm2 0.1653128 volume 25300000 weight 1.0
REMARK dnoe: 2.367779 position 0.1721597 0.416676
ASSI { 410 }
( attr rmsd >= -0.0424018 and attr rmsd <= 0.0775982 )
(( attr rmsd >= 0.1309638 and attr rmsd <= 0.2109638 )
and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
2.5 2.5 0.2
peak 410 ppm1 0.0175982 ppm2 0.1709638 volume 128000008 weight 1.0
REMARK dnoe: 2.26735 position 0.7670083 1.064326
ASSI { 411 }
( attr rmsd >= 1.004326 and attr rmsd <= 1.124326 )
(( attr rmsd >= 0.7270083 and attr rmsd <= 0.8070083 )
and bondedto ( attr rmsd >= 16.93655 and attr rmsd <= 18.53655 ))
2.5 2.5 0.2
peak 411 ppm1 1.064326 ppm2 0.7670083 volume 55900000 weight 1.0
REMARK dnoe: 3.31144 position 1.275753 6.678868
ASSI { 412 }
( attr rmsd >= 6.618868 and attr rmsd <= 6.738868 )
(( attr rmsd >= 1.235753 and attr rmsd <= 1.315753 )
and bondedto ( attr rmsd >= 44.74325 and attr rmsd <= 46.34325 ))
3.6 3.6 1.4
peak 412 ppm1 6.678868 ppm2 1.275753 volume 5760000 weight 1.0
REMARK dnoe: 3.231467 position 2.031882 6.699965
ASSI { 413 }
( attr rmsd >= 6.639965 and attr rmsd <= 6.759965 )
(( attr rmsd >= 1.991882 and attr rmsd <= 2.071882 )
and bondedto ( attr rmsd >= 44.74128 and attr rmsd <= 46.34128 ))
3.6 3.6 1.4
peak 413 ppm1 6.699965 ppm2 2.031882 volume 6670000 weight 1.0
REMARK dnoe: 2.184966 position 4.039401 3.671446
ASSI { 414 }
( attr rmsd >= 3.611446 and attr rmsd <= 3.731446 )
(( attr rmsd >= 3.999401 and attr rmsd <= 4.079401 )
and bondedto ( attr rmsd >= 43.56138 and attr rmsd <= 45.16138 ))
2.5 2.5 0.2
peak 414 ppm1 3.671446 ppm2 4.039401 volume 69800000 weight 1.0
REMARK dnoe: 2.207683 position 3.68849 4.034219
ASSI { 415 }
( attr rmsd >= 3.974219 and attr rmsd <= 4.094219 )
(( attr rmsd >= 3.64849 and attr rmsd <= 3.72849 )
and bondedto ( attr rmsd >= 43.60688 and attr rmsd <= 45.20688 ))
2.5 2.5 0.2
peak 415 ppm1 4.034219 ppm2 3.68849 volume 65600000 weight 1.0
REMARK dnoe: 3.281734 position 4.040926 8.073524
ASSI { 416 }
( attr rmsd >= 8.013524 and attr rmsd <= 8.133525 )
(( attr rmsd >= 4.000926 and attr rmsd <= 4.080926 )
and bondedto ( attr rmsd >= 43.59419 and attr rmsd <= 45.19419 ))
3.6 3.6 1.4
peak 416 ppm1 8.073524 ppm2 4.040926 volume 6080000 weight 1.0
REMARK dnoe: 3.170325 position 3.684082 8.073095
ASSI { 417 }
( attr rmsd >= 8.013095 and attr rmsd <= 8.133096 )
(( attr rmsd >= 3.644082 and attr rmsd <= 3.724082 )
and bondedto ( attr rmsd >= 43.61191 and attr rmsd <= 45.21191 ))
3.6 3.6 1.4
peak 417 ppm1 8.073095 ppm2 3.684082 volume 7480001 weight 1.0
REMARK dnoe: 3.166106 position 3.673413 7.878938
ASSI { 418 }
( attr rmsd >= 7.818938 and attr rmsd <= 7.938938 )
(( attr rmsd >= 3.633413 and attr rmsd <= 3.713413 )
and bondedto ( attr rmsd >= 43.60841 and attr rmsd <= 45.20841 ))
3.6 3.6 1.4
peak 418 ppm1 7.878938 ppm2 3.673413 volume 7540000 weight 1.0
REMARK dnoe: 3.24126 position 4.041769 7.878615
ASSI { 419 }
( attr rmsd >= 7.818615 and attr rmsd <= 7.938615 )
(( attr rmsd >= 4.001769 and attr rmsd <= 4.081769 )
and bondedto ( attr rmsd >= 43.61256 and attr rmsd <= 45.21256 ))
3.6 3.6 1.4
peak 419 ppm1 7.878615 ppm2 4.041769 volume 0.655e+07 weight 1.0
REMARK dnoe: 3.301954 position 4.043012 1.630794
ASSI { 420 }
( attr rmsd >= 1.570794 and attr rmsd <= 1.690794 )
(( attr rmsd >= 4.003012 and attr rmsd <= 4.083012 )
and bondedto ( attr rmsd >= 43.63422 and attr rmsd <= 45.23422 ))
3.6 3.6 1.4
peak 420 ppm1 1.630794 ppm2 4.043012 volume 5860001 weight 1.0
REMARK dnoe: 3.419572 position 3.676367 1.630794
ASSI { 421 }
( attr rmsd >= 1.570794 and attr rmsd <= 1.690794 )
(( attr rmsd >= 3.636367 and attr rmsd <= 3.716367 )
and bondedto ( attr rmsd >= 43.63859 and attr rmsd <= 45.23859 ))
3.6 3.6 1.4
peak 421 ppm1 1.630794 ppm2 3.676367 volume 4750000 weight 1.0
REMARK dnoe: 3.310483 position 3.691445 0.7722085
ASSI { 422 }
( attr rmsd >= 0.7122085 and attr rmsd <= 0.8322085 )
(( attr rmsd >= 3.651445 and attr rmsd <= 3.731445 )
and bondedto ( attr rmsd >= 43.59660 and attr rmsd <= 45.19660 ))
3.6 3.6 1.4
peak 422 ppm1 0.7722085 ppm2 3.691445 volume 5770000 weight 1.0
REMARK dnoe: 3.549142 position 4.030467 0.7304468
ASSI { 423 }
( attr rmsd >= 0.6704468 and attr rmsd <= 0.7904468 )
(( attr rmsd >= 3.990467 and attr rmsd <= 4.070467 )
and bondedto ( attr rmsd >= 43.60272 and attr rmsd <= 45.20272 ))
3.6 3.6 1.4
peak 423 ppm1 0.7304468 ppm2 4.030467 volume 3800000 weight 1.0
REMARK dnoe: 2.484393 position 5.873095 9.211424
ASSI { 424 }
( attr rmsd >= 9.151423 and attr rmsd <= 9.271424 )
(( attr rmsd >= 5.833095 and attr rmsd <= 5.913095 )
and bondedto ( attr rmsd >= 42.94889 and attr rmsd <= 44.54889 ))
2.5 2.5 0.2
peak 424 ppm1 9.211424 ppm2 5.873095 volume 32300002 weight 1.0
REMARK dnoe: 2.500118 position 3.012017 9.221004
ASSI { 425 }
( attr rmsd >= 9.161003 and attr rmsd <= 9.281004 )
(( attr rmsd >= 2.972017 and attr rmsd <= 3.052017 )
and bondedto ( attr rmsd >= 42.87934 and attr rmsd <= 44.47934 ))
3.0 3.0 0.5999999
peak 425 ppm1 9.221004 ppm2 3.012017 volume 31099998 weight 1.0
REMARK dnoe: 2.453715 position 3.011688 5.872421
ASSI { 427 }
( attr rmsd >= 5.812421 and attr rmsd <= 5.932421 )
(( attr rmsd >= 2.971688 and attr rmsd <= 3.051688 )
and bondedto ( attr rmsd >= 42.87934 and attr rmsd <= 44.47934 ))
2.5 2.5 0.2
peak 427 ppm1 5.872421 ppm2 3.011688 volume 34800000 weight 1.0
REMARK dnoe: 2.910286 position 5.873869 6.602284
ASSI { 428 }
( attr rmsd >= 6.542284 and attr rmsd <= 6.662284 )
(( attr rmsd >= 5.833869 and attr rmsd <= 5.913869 )
and bondedto ( attr rmsd >= 42.83383 and attr rmsd <= 44.43383 ))
3.0 3.0 0.5999999
peak 428 ppm1 6.602284 ppm2 5.873869 volume 12500000 weight 1.0
REMARK dnoe: 2.942544 position 3.015323 6.606709
ASSI { 429 }
( attr rmsd >= 6.546709 and attr rmsd <= 6.666709 )
(( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )
and bondedto ( attr rmsd >= 42.92483 and attr rmsd <= 44.52483 ))
3.0 3.0 0.5999999
peak 429 ppm1 6.606709 ppm2 3.015323 volume 11700000 weight 1.0
REMARK dnoe: 2.721325 position 3.015323 6.75932
ASSI { 430 }
( attr rmsd >= 6.69932 and attr rmsd <= 6.81932 )
(( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )
and bondedto ( attr rmsd >= 42.92483 and attr rmsd <= 44.52483 ))
3.0 3.0 0.5999999
peak 430 ppm1 6.75932 ppm2 3.015323 volume 18700000 weight 1.0
REMARK dnoe: 2.702391 position 5.877714 6.772596
ASSI { 431 }
( attr rmsd >= 6.712596 and attr rmsd <= 6.832596 )
(( attr rmsd >= 5.837714 and attr rmsd <= 5.917714 )
and bondedto ( attr rmsd >= 42.90208 and attr rmsd <= 44.50208 ))
3.0 3.0 0.5999999
peak 431 ppm1 6.772596 ppm2 5.877714 volume 19500000 weight 1.0
REMARK dnoe: 2.910286 position 5.877714 6.905293
ASSI { 432 }
( attr rmsd >= 6.845293 and attr rmsd <= 6.965293 )
(( attr rmsd >= 5.837714 and attr rmsd <= 5.917714 )
and bondedto ( attr rmsd >= 42.85659 and attr rmsd <= 44.45659 ))
3.0 3.0 0.5999999
peak 432 ppm1 6.905293 ppm2 5.877714 volume 12500000 weight 1.0
REMARK dnoe: 2.709383 position 3.015323 6.878762
ASSI { 433 }
( attr rmsd >= 6.818762 and attr rmsd <= 6.938762 )
(( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )
and bondedto ( attr rmsd >= 42.85659 and attr rmsd <= 44.45659 ))
3.0 3.0 0.5999999
peak 433 ppm1 6.878762 ppm2 3.015323 volume 19200000 weight 1.0
REMARK dnoe: 2.723758 position 5.873798 3.003452
ASSI { 434 }
( attr rmsd >= 2.943452 and attr rmsd <= 3.063452 )
(( attr rmsd >= 5.833798 and attr rmsd <= 5.913798 )
and bondedto ( attr rmsd >= 42.95327 and attr rmsd <= 44.55327 ))
3.0 3.0 0.5999999
peak 434 ppm1 3.003452 ppm2 5.873798 volume 18600000 weight 1.0
REMARK dnoe: 3.1266 position 3.203547 0.7319081
ASSI { 435 }
( attr rmsd >= 0.6719081 and attr rmsd <= 0.7919081 )
(( attr rmsd >= 3.163547 and attr rmsd <= 3.243547 )
and bondedto ( attr rmsd >= 42.71375 and attr rmsd <= 44.31375 ))
3.6 3.6 1.4
peak 435 ppm1 0.7319081 ppm2 3.203547 volume 8130000 weight 1.0
REMARK dnoe: 2.759514 position 2.659652 0.6495876
ASSI { 436 }
( attr rmsd >= 0.5895876 and attr rmsd <= 0.7095876 )
(( attr rmsd >= 2.619652 and attr rmsd <= 2.699652 )
and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
3.0 3.0 0.5999999
peak 436 ppm1 0.6495876 ppm2 2.659652 volume 17200000 weight 1.0
REMARK dnoe: 2.553459 position 2.477221 0.6672893
ASSI { 437 }
( attr rmsd >= 0.6072893 and attr rmsd <= 0.7272893 )
(( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )
and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
3.0 3.0 0.5999999
peak 437 ppm1 0.6672893 ppm2 2.477221 volume 27399998 weight 1.0
REMARK dnoe: 2.392461 position 3.201623 1.501019
ASSI { 439 }
( attr rmsd >= 1.441019 and attr rmsd <= 1.561019 )
(( attr rmsd >= 3.161623 and attr rmsd <= 3.241623 )
and bondedto ( attr rmsd >= 42.68028 and attr rmsd <= 44.28028 ))
2.5 2.5 0.2
peak 439 ppm1 1.501019 ppm2 3.201623 volume 40500000 weight 1.0
REMARK dnoe: 2.121517 position 3.197426 1.649914
ASSI { 440 }
( attr rmsd >= 1.589914 and attr rmsd <= 1.709914 )
(( attr rmsd >= 3.157426 and attr rmsd <= 3.237426 )
and bondedto ( attr rmsd >= 42.69559 and attr rmsd <= 44.29559 ))
2.5 2.5 0.2
peak 440 ppm1 1.649914 ppm2 3.197426 volume 83300000 weight 1.0
REMARK dnoe: 2.364136 position 3.204766 1.769184
ASSI { 441 }
( attr rmsd >= 1.709184 and attr rmsd <= 1.829184 )
(( attr rmsd >= 3.164766 and attr rmsd <= 3.244766 )
and bondedto ( attr rmsd >= 42.62931 and attr rmsd <= 44.22931 ))
2.5 2.5 0.2
peak 441 ppm1 1.769184 ppm2 3.204766 volume 43500000 weight 1.0
REMARK dnoe: 2.632883 position 3.202397 2.035565
ASSI { 442 }
( attr rmsd >= 1.975565 and attr rmsd <= 2.095565 )
(( attr rmsd >= 3.162397 and attr rmsd <= 3.242397 )
and bondedto ( attr rmsd >= 42.67831 and attr rmsd <= 44.27831 ))
3.0 3.0 0.5999999
peak 442 ppm1 2.035565 ppm2 3.202397 volume 22800000 weight 1.0
REMARK dnoe: 2.188112 position 3.154468 1.758657
ASSI { 443 }
( attr rmsd >= 1.698657 and attr rmsd <= 1.818657 )
(( attr rmsd >= 3.114468 and attr rmsd <= 3.194468 )
and bondedto ( attr rmsd >= 42.71068 and attr rmsd <= 44.31068 ))
2.5 2.5 0.2
peak 443 ppm1 1.758657 ppm2 3.154468 volume 69200000 weight 1.0
REMARK dnoe: 2.236433 position 3.105249 1.544521
ASSI { 444 }
( attr rmsd >= 1.484521 and attr rmsd <= 1.604521 )
(( attr rmsd >= 3.065249 and attr rmsd <= 3.145249 )
and bondedto ( attr rmsd >= 42.68487 and attr rmsd <= 44.28487 ))
2.5 2.5 0.2
peak 444 ppm1 1.544521 ppm2 3.105249 volume 60700000 weight 1.0
REMARK dnoe: 2.693261 position 3.111533 1.795736
ASSI { 445 }
( attr rmsd >= 1.735736 and attr rmsd <= 1.855736 )
(( attr rmsd >= 3.071533 and attr rmsd <= 3.151533 )
and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
3.0 3.0 0.5999999
peak 445 ppm1 1.795736 ppm2 3.111533 volume 19900000 weight 1.0
REMARK dnoe: 2.473039 position 2.652781 1.406303
ASSI { 446 }
( attr rmsd >= 1.346303 and attr rmsd <= 1.466303 )
(( attr rmsd >= 2.612781 and attr rmsd <= 2.692781 )
and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
2.5 2.5 0.2
peak 446 ppm1 1.406303 ppm2 2.652781 volume 33199998 weight 1.0
REMARK dnoe: 2.792977 position 2.655854 1.747056
ASSI { 447 }
( attr rmsd >= 1.687056 and attr rmsd <= 1.807056 )
(( attr rmsd >= 2.615854 and attr rmsd <= 2.695854 )
and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
3.0 3.0 0.5999999
peak 447 ppm1 1.747056 ppm2 2.655854 volume 16000000 weight 1.0
REMARK dnoe: 3.137631 position 2.664225 1.890881
ASSI { 448 }
( attr rmsd >= 1.830881 and attr rmsd <= 1.950881 )
(( attr rmsd >= 2.624225 and attr rmsd <= 2.704225 )
and bondedto ( attr rmsd >= 42.69756 and attr rmsd <= 44.29756 ))
3.6 3.6 1.4
peak 448 ppm1 1.890881 ppm2 2.664225 volume 7960000 weight 1.0
REMARK dnoe: 3.152322 position 2.47776 1.910795
ASSI { 449 }
( attr rmsd >= 1.850795 and attr rmsd <= 1.970795 )
(( attr rmsd >= 2.43776 and attr rmsd <= 2.51776 )
and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
3.6 3.6 1.4
peak 449 ppm1 1.910795 ppm2 2.47776 volume 7740000 weight 1.0
REMARK dnoe: 2.839178 position 2.478815 1.740418
ASSI { 450 }
( attr rmsd >= 1.680418 and attr rmsd <= 1.800418 )
(( attr rmsd >= 2.438815 and attr rmsd <= 2.518815 )
and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
3.0 3.0 0.5999999
peak 450 ppm1 1.740418 ppm2 2.478815 volume 14500000 weight 1.0
REMARK dnoe: 2.47804 position 2.477221 1.399665
ASSI { 451 }
( attr rmsd >= 1.339665 and attr rmsd <= 1.459665 )
(( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )
and bondedto ( attr rmsd >= 42.62931 and attr rmsd <= 44.22931 ))
2.5 2.5 0.2
peak 451 ppm1 1.399665 ppm2 2.477221 volume 32800000 weight 1.0
REMARK dnoe: 2.062028 position 2.656229 2.46925
ASSI { 452 }
( attr rmsd >= 2.40925 and attr rmsd <= 2.52925 )
(( attr rmsd >= 2.616229 and attr rmsd <= 2.696229 )
and bondedto ( attr rmsd >= 42.70653 and attr rmsd <= 44.30653 ))
2.5 2.5 0.2
peak 452 ppm1 2.46925 ppm2 2.656229 volume 98800000 weight 1.0
REMARK dnoe: 2.016389 position 2.477221 2.641067
ASSI { 453 }
( attr rmsd >= 2.581067 and attr rmsd <= 2.701067 )
(( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )
and bondedto ( attr rmsd >= 42.69625 and attr rmsd <= 44.29625 ))
2.5 2.5 0.2
peak 453 ppm1 2.641067 ppm2 2.477221 volume 113000000 weight 1.0
REMARK dnoe: 2.19938 position 3.153437 1.628646
ASSI { 458 }
( attr rmsd >= 1.568646 and attr rmsd <= 1.688646 )
(( attr rmsd >= 3.113437 and attr rmsd <= 3.193437 )
and bondedto ( attr rmsd >= 42.71418 and attr rmsd <= 44.31418 ))
2.5 2.5 0.2
peak 458 ppm1 1.628646 ppm2 3.153437 volume 67100000 weight 1.0
REMARK dnoe: 2.25868 position 3.110689 1.659387
ASSI { 459 }
( attr rmsd >= 1.599387 and attr rmsd <= 1.719387 )
(( attr rmsd >= 3.070689 and attr rmsd <= 3.150689 )
and bondedto ( attr rmsd >= 42.71418 and attr rmsd <= 44.31418 ))
2.5 2.5 0.2
peak 459 ppm1 1.659387 ppm2 3.110689 volume 57200004 weight 1.0
REMARK dnoe: 3.447976 position 1.918694 0.2782869
ASSI { 460 }
( attr rmsd >= 0.2182869 and attr rmsd <= 0.3382869 )
(( attr rmsd >= 1.878694 and attr rmsd <= 1.958694 )
and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
3.6 3.6 1.4
peak 460 ppm1 0.2782869 ppm2 1.918694 volume 4520000 weight 1.0
REMARK dnoe: 3.421978 position 0.7818277 0.2782869
ASSI { 461 }
( attr rmsd >= 0.2182869 and attr rmsd <= 0.3382869 )
(( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )
and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
3.6 3.6 1.4
peak 461 ppm1 0.2782869 ppm2 0.7818277 volume 4730000 weight 1.0
REMARK dnoe: 2.444438 position 1.913465 0.7689004
ASSI { 462 }
( attr rmsd >= 0.7089004 and attr rmsd <= 0.8289004 )
(( attr rmsd >= 1.873465 and attr rmsd <= 1.953465 )
and bondedto ( attr rmsd >= 42.28916 and attr rmsd <= 43.88916 ))
2.5 2.5 0.2
peak 462 ppm1 0.7689004 ppm2 1.913465 volume 35600000 weight 1.0
REMARK dnoe: 2.762197 position 0.7844539 1.908389
ASSI { 463 }
( attr rmsd >= 1.848389 and attr rmsd <= 1.968389 )
(( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )
and bondedto ( attr rmsd >= 42.28523 and attr rmsd <= 43.88523 ))
3.0 3.0 0.5999999
peak 463 ppm1 1.908389 ppm2 0.7844539 volume 17100000 weight 1.0
REMARK dnoe: 3.316256 position 1.918694 1.246303
ASSI { 464 }
( attr rmsd >= 1.186303 and attr rmsd <= 1.306303 )
(( attr rmsd >= 1.878694 and attr rmsd <= 1.958694 )
and bondedto ( attr rmsd >= 42.28829 and attr rmsd <= 43.88829 ))
3.6 3.6 1.4
peak 464 ppm1 1.246303 ppm2 1.918694 volume 5710000 weight 1.0
REMARK dnoe: 3.276367 position 1.916044 1.39524
ASSI { 465 }
( attr rmsd >= 1.33524 and attr rmsd <= 1.45524 )
(( attr rmsd >= 1.876044 and attr rmsd <= 1.956044 )
and bondedto ( attr rmsd >= 42.27582 and attr rmsd <= 43.87582 ))
3.6 3.6 1.4
peak 465 ppm1 1.39524 ppm2 1.916044 volume 6140000 weight 1.0
REMARK dnoe: 3.505905 position 0.7712526 1.221942
ASSI { 466 }
( attr rmsd >= 1.161942 and attr rmsd <= 1.281942 )
(( attr rmsd >= 0.7312526 and attr rmsd <= 0.8112526 )
and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
3.6 3.6 1.4
peak 466 ppm1 1.221942 ppm2 0.7712526 volume 4090000 weight 1.0
REMARK dnoe: 3.354539 position 0.7818277 1.396937
ASSI { 467 }
( attr rmsd >= 1.336937 and attr rmsd <= 1.456937 )
(( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )
and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
3.6 3.6 1.4
peak 467 ppm1 1.396937 ppm2 0.7818277 volume 5330000 weight 1.0
REMARK dnoe: 3.681607 position 0.7686026 2.192192
ASSI { 468 }
( attr rmsd >= 2.132192 and attr rmsd <= 2.252192 )
(( attr rmsd >= 0.7286026 and attr rmsd <= 0.8086026 )
and bondedto ( attr rmsd >= 42.35654 and attr rmsd <= 43.95654 ))
4.2 4.2 1.8
peak 468 ppm1 2.192192 ppm2 0.7686026 volume 3050000 weight 1.0
REMARK dnoe: 3.479472 position 1.921344 2.207703
ASSI { 469 }
( attr rmsd >= 2.147703 and attr rmsd <= 2.267703 )
(( attr rmsd >= 1.881344 and attr rmsd <= 1.961344 )
and bondedto ( attr rmsd >= 42.37929 and attr rmsd <= 43.97929 ))
3.6 3.6 1.4
peak 469 ppm1 2.207703 ppm2 1.921344 volume 4280000 weight 1.0
REMARK dnoe: 2.410657 position 2.54351 0.7589755
ASSI { 470 }
( attr rmsd >= 0.6989755 and attr rmsd <= 0.8189755 )
(( attr rmsd >= 2.50351 and attr rmsd <= 2.58351 )
and bondedto ( attr rmsd >= 42.28829 and attr rmsd <= 43.88829 ))
2.5 2.5 0.2
peak 470 ppm1 0.7589755 ppm2 2.54351 volume 38700000 weight 1.0
REMARK dnoe: 3.475424 position 2.550709 3.823176
ASSI { 471 }
( attr rmsd >= 3.763176 and attr rmsd <= 3.883176 )
(( attr rmsd >= 2.510709 and attr rmsd <= 2.590709 )
and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
3.6 3.6 1.4
peak 471 ppm1 3.823176 ppm2 2.550709 volume 4310000 weight 1.0
REMARK dnoe: 3.593009 position 1.92927 4.079761
ASSI { 472 }
( attr rmsd >= 4.019761 and attr rmsd <= 4.139761 )
(( attr rmsd >= 1.88927 and attr rmsd <= 1.96927 )
and bondedto ( attr rmsd >= 42.30141 and attr rmsd <= 43.90141 ))
3.6 3.6 1.4
peak 472 ppm1 4.079761 ppm2 1.92927 volume 0.353e+07 weight 1.0
REMARK dnoe: 3.373801 position 0.7844539 4.09931
ASSI { 473 }
( attr rmsd >= 4.03931 and attr rmsd <= 4.15931 )
(( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )
and bondedto ( attr rmsd >= 42.25964 and attr rmsd <= 43.85964 ))
3.6 3.6 1.4
peak 473 ppm1 4.09931 ppm2 0.7844539 volume 5150000 weight 1.0
REMARK dnoe: 3.330004 position 3.205657 5.133492
ASSI { 474 }
( attr rmsd >= 5.073492 and attr rmsd <= 5.193492 )
(( attr rmsd >= 3.165657 and attr rmsd <= 3.245657 )
and bondedto ( attr rmsd >= 42.56106 and attr rmsd <= 44.16106 ))
3.6 3.6 1.4
peak 474 ppm1 5.133492 ppm2 3.205657 volume 5570000 weight 1.0
REMARK dnoe: 3.622687 position 2.547942 4.928379
ASSI { 475 }
( attr rmsd >= 4.868379 and attr rmsd <= 4.988379 )
(( attr rmsd >= 2.507942 and attr rmsd <= 2.587942 )
and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
4.2 4.2 1.8
peak 475 ppm1 4.928379 ppm2 2.547942 volume 3360000 weight 1.0
REMARK dnoe: 3.708431 position 2.545292 5.183138
ASSI { 476 }
( attr rmsd >= 5.123138 and attr rmsd <= 5.243138 )
(( attr rmsd >= 2.505292 and attr rmsd <= 2.585292 )
and bondedto ( attr rmsd >= 42.17454 and attr rmsd <= 43.77454 ))
4.2 4.2 1.8
peak 476 ppm1 5.183138 ppm2 2.545292 volume 2920000 weight 1.0
REMARK dnoe: 2.627153 position 2.545292 5.99023
ASSI { 477 }
( attr rmsd >= 5.93023 and attr rmsd <= 6.05023 )
(( attr rmsd >= 2.505292 and attr rmsd <= 2.585292 )
and bondedto ( attr rmsd >= 42.28588 and attr rmsd <= 43.88588 ))
3.0 3.0 0.5999999
peak 477 ppm1 5.99023 ppm2 2.545292 volume 23100000 weight 1.0
REMARK dnoe: 3.470077 position 1.916044 6.442283
ASSI { 478 }
( attr rmsd >= 6.382283 and attr rmsd <= 6.502283 )
(( attr rmsd >= 1.876044 and attr rmsd <= 1.956044 )
and bondedto ( attr rmsd >= 42.24716 and attr rmsd <= 43.84716 ))
3.6 3.6 1.4
peak 478 ppm1 6.442283 ppm2 1.916044 volume 4350000 weight 1.0
REMARK dnoe: 3.498812 position 1.913395 6.576806
ASSI { 479 }
( attr rmsd >= 6.516806 and attr rmsd <= 6.636806 )
(( attr rmsd >= 1.873395 and attr rmsd <= 1.953395 )
and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
3.6 3.6 1.4
peak 479 ppm1 6.576806 ppm2 1.913395 volume 4140000 weight 1.0
REMARK dnoe: 3.577964 position 0.7844539 6.442283
ASSI { 480 }
( attr rmsd >= 6.382283 and attr rmsd <= 6.502283 )
(( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )
and bondedto ( attr rmsd >= 42.23907 and attr rmsd <= 43.83907 ))
3.6 3.6 1.4
peak 480 ppm1 6.442283 ppm2 0.7844539 volume 3620000 weight 1.0
REMARK dnoe: 3.619106 position 0.7818277 6.572381
ASSI { 481 }
( attr rmsd >= 6.512381 and attr rmsd <= 6.632381 )
(( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )
and bondedto ( attr rmsd >= 42.24279 and attr rmsd <= 43.84279 ))
4.2 4.2 1.8
peak 481 ppm1 6.572381 ppm2 0.7818277 volume 3380000 weight 1.0
REMARK dnoe: 2.711742 position 2.544003 8.579992
ASSI { 482 }
( attr rmsd >= 8.519992 and attr rmsd <= 8.639993 )
(( attr rmsd >= 2.504003 and attr rmsd <= 2.584003 )
and bondedto ( attr rmsd >= 42.24279 and attr rmsd <= 43.84279 ))
3.0 3.0 0.5999999
peak 482 ppm1 8.579992 ppm2 2.544003 volume 19100000 weight 1.0
REMARK dnoe: 2.898805 position 2.544659 9.481564
ASSI { 483 }
( attr rmsd >= 9.421563 and attr rmsd <= 9.541564 )
(( attr rmsd >= 2.504659 and attr rmsd <= 2.584659 )
and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
3.0 3.0 0.5999999
peak 483 ppm1 9.481564 ppm2 2.544659 volume 12800001 weight 1.0
REMARK dnoe: 2.429869 position 2.963572 1.095046
ASSI { 484 }
( attr rmsd >= 1.035046 and attr rmsd <= 1.155046 )
(( attr rmsd >= 2.923572 and attr rmsd <= 3.003572 )
and bondedto ( attr rmsd >= 41.76549 and attr rmsd <= 43.36549 ))
2.5 2.5 0.2
peak 484 ppm1 1.095046 ppm2 2.963572 volume 36900000 weight 1.0
REMARK dnoe: 2.04777 position 2.966666 1.500117
ASSI { 485 }
( attr rmsd >= 1.440117 and attr rmsd <= 1.560117 )
(( attr rmsd >= 2.926666 and attr rmsd <= 3.006666 )
and bondedto ( attr rmsd >= 41.69725 and attr rmsd <= 43.29725 ))
2.5 2.5 0.2
peak 485 ppm1 1.500117 ppm2 2.966666 volume 103000000 weight 1.0
REMARK dnoe: 2.266675 position 2.988381 1.65726
ASSI { 486 }
( attr rmsd >= 1.59726 and attr rmsd <= 1.71726 )
(( attr rmsd >= 2.948381 and attr rmsd <= 3.028381 )
and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
2.5 2.5 0.2
peak 486 ppm1 1.65726 ppm2 2.988381 volume 56000000 weight 1.0
REMARK dnoe: 2.558149 position 1.446202 0.6346574
ASSI { 487 }
( attr rmsd >= 0.5746574 and attr rmsd <= 0.6946574 )
(( attr rmsd >= 1.406202 and attr rmsd <= 1.486202 )
and bondedto ( attr rmsd >= 41.69725 and attr rmsd <= 43.29725 ))
3.0 3.0 0.5999999
peak 487 ppm1 0.6346574 ppm2 1.446202 volume 27100000 weight 1.0
REMARK dnoe: 2.400429 position 1.440011 0.7696741
ASSI { 488 }
( attr rmsd >= 0.7096741 and attr rmsd <= 0.8296741 )
(( attr rmsd >= 1.400011 and attr rmsd <= 1.480011 )
and bondedto ( attr rmsd >= 41.65175 and attr rmsd <= 43.25175 ))
2.5 2.5 0.2
peak 488 ppm1 0.7696741 ppm2 1.440011 volume 39700000 weight 1.0
REMARK dnoe: 2.423346 position 1.443106 1.108322
ASSI { 489 }
( attr rmsd >= 1.048322 and attr rmsd <= 1.168322 )
(( attr rmsd >= 1.403106 and attr rmsd <= 1.483106 )
and bondedto ( attr rmsd >= 41.67449 and attr rmsd <= 43.27449 ))
2.5 2.5 0.2
peak 489 ppm1 1.108322 ppm2 1.443106 volume 37500000 weight 1.0
REMARK dnoe: 2.891324 position 2.963572 4.121781
ASSI { 490 }
( attr rmsd >= 4.061781 and attr rmsd <= 4.181781 )
(( attr rmsd >= 2.923572 and attr rmsd <= 3.003572 )
and bondedto ( attr rmsd >= 41.83221 and attr rmsd <= 43.43221 ))
3.0 3.0 0.5999999
peak 490 ppm1 4.121781 ppm2 2.963572 volume 13000000 weight 1.0
REMARK dnoe: 2.726206 position 1.440011 4.078794
ASSI { 491 }
( attr rmsd >= 4.018794 and attr rmsd <= 4.138794 )
(( attr rmsd >= 1.400011 and attr rmsd <= 1.480011 )
and bondedto ( attr rmsd >= 41.78890 and attr rmsd <= 43.38890 ))
3.0 3.0 0.5999999
peak 491 ppm1 4.078794 ppm2 1.440011 volume 18500000 weight 1.0
REMARK dnoe: 3.228248 position 2.958881 7.345251
ASSI { 492 }
( attr rmsd >= 7.285251 and attr rmsd <= 7.405251 )
(( attr rmsd >= 2.918881 and attr rmsd <= 2.998881 )
and bondedto ( attr rmsd >= 41.76790 and attr rmsd <= 43.36790 ))
3.6 3.6 1.4
peak 492 ppm1 7.345251 ppm2 2.958881 volume 6710000 weight 1.0
REMARK dnoe: 3.229855 position 1.44177 7.417325
ASSI { 493 }
( attr rmsd >= 7.357325 and attr rmsd <= 7.477325 )
(( attr rmsd >= 1.40177 and attr rmsd <= 1.48177 )
and bondedto ( attr rmsd >= 41.82040 and attr rmsd <= 43.42040 ))
3.6 3.6 1.4
peak 493 ppm1 7.417325 ppm2 1.44177 volume 6690001 weight 1.0
REMARK dnoe: 2.930154 position 2.982471 0.714335
ASSI { 494 }
( attr rmsd >= 0.654335 and attr rmsd <= 0.774335 )
(( attr rmsd >= 2.942471 and attr rmsd <= 3.022471 )
and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
3.0 3.0 0.5999999
peak 494 ppm1 0.714335 ppm2 2.982471 volume 12000000 weight 1.0
REMARK dnoe: 2.364136 position 2.745943 0.6412954
ASSI { 495 }
( attr rmsd >= 0.5812954 and attr rmsd <= 0.7012954 )
(( attr rmsd >= 2.705943 and attr rmsd <= 2.785943 )
and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
2.5 2.5 0.2
peak 495 ppm1 0.6412954 ppm2 2.745943 volume 43500000 weight 1.0
REMARK dnoe: 2.329727 position 2.759379 1.079686
ASSI { 496 }
( attr rmsd >= 1.019686 and attr rmsd <= 1.139686 )
(( attr rmsd >= 2.719379 and attr rmsd <= 2.799379 )
and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
2.5 2.5 0.2
peak 496 ppm1 1.079686 ppm2 2.759379 volume 47500000 weight 1.0
REMARK dnoe: 2.454892 position 2.759379 1.469419
ASSI { 497 }
( attr rmsd >= 1.409419 and attr rmsd <= 1.529419 )
(( attr rmsd >= 2.719379 and attr rmsd <= 2.799379 )
and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
2.5 2.5 0.2
peak 497 ppm1 1.469419 ppm2 2.759379 volume 34700000 weight 1.0
REMARK dnoe: 2.505518 position 2.851088 0.7652488
ASSI { 498 }
( attr rmsd >= 0.7052488 and attr rmsd <= 0.8252488 )
(( attr rmsd >= 2.811088 and attr rmsd <= 2.891088 )
and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
3.0 3.0 0.5999999
peak 498 ppm1 0.7652488 ppm2 2.851088 volume 30700002 weight 1.0
REMARK dnoe: 2.171189 position 2.874021 1.221405
ASSI { 499 }
( attr rmsd >= 1.161405 and attr rmsd <= 1.281405 )
(( attr rmsd >= 2.834021 and attr rmsd <= 2.914021 )
and bondedto ( attr rmsd >= 41.46997 and attr rmsd <= 43.06997 ))
2.5 2.5 0.2
peak 499 ppm1 1.221405 ppm2 2.874021 volume 72500000 weight 1.0
REMARK dnoe: 2.099029 position 2.874021 1.480482
ASSI { 500 }
( attr rmsd >= 1.420482 and attr rmsd <= 1.540482 )
(( attr rmsd >= 2.834021 and attr rmsd <= 2.914021 )
and bondedto ( attr rmsd >= 41.51547 and attr rmsd <= 43.11547 ))
2.5 2.5 0.2
peak 500 ppm1 1.480482 ppm2 2.874021 volume 88800000 weight 1.0
REMARK dnoe: 3.658004 position 2.957944 9.835099
ASSI { 501 }
( attr rmsd >= 9.775099 and attr rmsd <= 9.8951 )
(( attr rmsd >= 2.917944 and attr rmsd <= 2.997944 )
and bondedto ( attr rmsd >= 41.70709 and attr rmsd <= 43.30709 ))
4.2 4.2 1.8
peak 501 ppm1 9.835099 ppm2 2.957944 volume 3170000 weight 1.0
REMARK dnoe: 3.873084 position 2.958671 7.792063
ASSI { 502 }
( attr rmsd >= 7.732063 and attr rmsd <= 7.852063 )
(( attr rmsd >= 2.918671 and attr rmsd <= 2.998671 )
and bondedto ( attr rmsd >= 41.69506 and attr rmsd <= 43.29506 ))
4.2 4.2 1.8
peak 502 ppm1 7.792063 ppm2 2.958671 volume 2250000 weight 1.0
REMARK dnoe: 2.773115 position 2.985683 1.82811
ASSI { 503 }
( attr rmsd >= 1.76811 and attr rmsd <= 1.88811 )
(( attr rmsd >= 2.945683 and attr rmsd <= 3.025683 )
and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
3.0 3.0 0.5999999
peak 503 ppm1 1.82811 ppm2 2.985683 volume 16700000 weight 1.0
REMARK dnoe: 2.790078 position 2.758841 1.71739
ASSI { 504 }
( attr rmsd >= 1.65739 and attr rmsd <= 1.77739 )
(( attr rmsd >= 2.718841 and attr rmsd <= 2.798841 )
and bondedto ( attr rmsd >= 41.28797 and attr rmsd <= 42.88797 ))
3.0 3.0 0.5999999
peak 504 ppm1 1.71739 ppm2 2.758841 volume 16100000 weight 1.0
REMARK dnoe: 2.926104 position 2.921974 0.8870108
ASSI { 505 }
( attr rmsd >= 0.8270108 and attr rmsd <= 0.9470108 )
(( attr rmsd >= 2.881974 and attr rmsd <= 2.961974 )
and bondedto ( attr rmsd >= 41.28797 and attr rmsd <= 42.88797 ))
3.0 3.0 0.5999999
peak 505 ppm1 0.8870108 ppm2 2.921974 volume 12100000 weight 1.0
REMARK dnoe: 3.253799 position 1.60645 -0.1937881
ASSI { 506 }
( attr rmsd >= -0.2537881 and attr rmsd <= -0.1337881 )
(( attr rmsd >= 1.56645 and attr rmsd <= 1.64645 )
and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
3.6 3.6 1.4
peak 506 ppm1 -0.1937881 ppm2 1.60645 volume 6400000 weight 1.0
REMARK dnoe: 3.218725 position 1.043962 -0.1959367
ASSI { 507 }
( attr rmsd >= -0.2559367 and attr rmsd <= -0.1359367 )
(( attr rmsd >= 1.003962 and attr rmsd <= 1.083962 )
and bondedto ( attr rmsd >= 41.23548 and attr rmsd <= 42.83548 ))
3.6 3.6 1.4
peak 507 ppm1 -0.1959367 ppm2 1.043962 volume 6830001 weight 1.0
REMARK dnoe: 2.630963 position 1.602957 0.4041305
ASSI { 508 }
( attr rmsd >= 0.3441305 and attr rmsd <= 0.4641305 )
(( attr rmsd >= 1.562957 and attr rmsd <= 1.642957 )
and bondedto ( attr rmsd >= 41.21973 and attr rmsd <= 42.81973 ))
3.0 3.0 0.5999999
peak 508 ppm1 0.4041305 ppm2 1.602957 volume 22900000 weight 1.0
REMARK dnoe: 2.691012 position 1.037748 0.404109
ASSI { 509 }
( attr rmsd >= 0.344109 and attr rmsd <= 0.464109 )
(( attr rmsd >= 0.997748 and attr rmsd <= 1.077748 )
and bondedto ( attr rmsd >= 41.20179 and attr rmsd <= 42.80179 ))
3.0 3.0 0.5999999
peak 509 ppm1 0.404109 ppm2 1.037748 volume 20000000 weight 1.0
REMARK dnoe: 2.120246 position 1.603215 1.048536
ASSI { 510 }
( attr rmsd >= 0.9885359 and attr rmsd <= 1.108536 )
(( attr rmsd >= 1.563215 and attr rmsd <= 1.643215 )
and bondedto ( attr rmsd >= 41.21973 and attr rmsd <= 42.81973 ))
2.5 2.5 0.2
peak 510 ppm1 1.048536 ppm2 1.603215 volume 83600000 weight 1.0
REMARK dnoe: 2.434287 position 1.02274 1.585982
ASSI { 511 }
( attr rmsd >= 1.525982 and attr rmsd <= 1.645982 )
(( attr rmsd >= 0.98274 and attr rmsd <= 1.06274 )
and bondedto ( attr rmsd >= 41.20660 and attr rmsd <= 42.80660 ))
2.5 2.5 0.2
peak 511 ppm1 1.585982 ppm2 1.02274 volume 36500000 weight 1.0
REMARK dnoe: 2.842455 position 2.661458 0.2751498
ASSI { 512 }
( attr rmsd >= 0.2151498 and attr rmsd <= 0.3351498 )
(( attr rmsd >= 2.621458 and attr rmsd <= 2.701458 )
and bondedto ( attr rmsd >= 41.06070 and attr rmsd <= 42.66070 ))
3.0 3.0 0.5999999
peak 512 ppm1 0.2751498 ppm2 2.661458 volume 14399999 weight 1.0
REMARK dnoe: 2.580864 position 2.615592 0.6388674
ASSI { 513 }
( attr rmsd >= 0.5788674 and attr rmsd <= 0.6988674 )
(( attr rmsd >= 2.575592 and attr rmsd <= 2.655592 )
and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
3.0 3.0 0.5999999
peak 513 ppm1 0.6388674 ppm2 2.615592 volume 25700000 weight 1.0
REMARK dnoe: 2.606863 position 2.613012 0.749588
ASSI { 514 }
( attr rmsd >= 0.689588 and attr rmsd <= 0.809588 )
(( attr rmsd >= 2.573012 and attr rmsd <= 2.653012 )
and bondedto ( attr rmsd >= 41.03795 and attr rmsd <= 42.63795 ))
3.0 3.0 0.5999999
peak 514 ppm1 0.749588 ppm2 2.613012 volume 24200000 weight 1.0
REMARK dnoe: 2.575877 position 2.663873 1.677218
ASSI { 516 }
( attr rmsd >= 1.617218 and attr rmsd <= 1.737218 )
(( attr rmsd >= 2.623873 and attr rmsd <= 2.703873 )
and bondedto ( attr rmsd >= 41.19720 and attr rmsd <= 42.79720 ))
3.0 3.0 0.5999999
peak 516 ppm1 1.677218 ppm2 2.663873 volume 26000000 weight 1.0
REMARK dnoe: 2.458447 position 2.741113 0.7417681
ASSI { 517 }
( attr rmsd >= 0.6817681 and attr rmsd <= 0.8017681 )
(( attr rmsd >= 2.701113 and attr rmsd <= 2.781113 )
and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
2.5 2.5 0.2
peak 517 ppm1 0.7417681 ppm2 2.741113 volume 34400000 weight 1.0
REMARK dnoe: 2.519385 position 3.291549 5.302043
ASSI { 518 }
( attr rmsd >= 5.242043 and attr rmsd <= 5.362043 )
(( attr rmsd >= 3.251549 and attr rmsd <= 3.331549 )
and bondedto ( attr rmsd >= 41.01520 and attr rmsd <= 42.61520 ))
3.0 3.0 0.5999999
peak 518 ppm1 5.302043 ppm2 3.291549 volume 29700000 weight 1.0
REMARK dnoe: 2.644611 position 2.671119 5.485116
ASSI { 519 }
( attr rmsd >= 5.425116 and attr rmsd <= 5.545116 )
(( attr rmsd >= 2.631119 and attr rmsd <= 2.711119 )
and bondedto ( attr rmsd >= 41.19720 and attr rmsd <= 42.79720 ))
3.0 3.0 0.5999999
peak 519 ppm1 5.485116 ppm2 2.671119 volume 22200000 weight 1.0
REMARK dnoe: 2.441021 position 3.274643 6.889847
ASSI { 520 }
( attr rmsd >= 6.829847 and attr rmsd <= 6.949847 )
(( attr rmsd >= 3.234643 and attr rmsd <= 3.314643 )
and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
2.5 2.5 0.2
peak 520 ppm1 6.889847 ppm2 3.274643 volume 35900000 weight 1.0
REMARK dnoe: 2.615949 position 2.663873 6.840738
ASSI { 521 }
( attr rmsd >= 6.780738 and attr rmsd <= 6.900738 )
(( attr rmsd >= 2.623873 and attr rmsd <= 2.703873 )
and bondedto ( attr rmsd >= 41.15170 and attr rmsd <= 42.75170 ))
3.0 3.0 0.5999999
peak 521 ppm1 6.840738 ppm2 2.663873 volume 23700000 weight 1.0
REMARK dnoe: 3.179602 position 1.596836 7.722546
ASSI { 522 }
( attr rmsd >= 7.662546 and attr rmsd <= 7.782546 )
(( attr rmsd >= 1.556836 and attr rmsd <= 1.636836 )
and bondedto ( attr rmsd >= 41.22170 and attr rmsd <= 42.82170 ))
3.6 3.6 1.4
peak 522 ppm1 7.722546 ppm2 1.596836 volume 7350000 weight 1.0
REMARK dnoe: 3.34622 position 1.025648 7.731268
ASSI { 523 }
( attr rmsd >= 7.671268 and attr rmsd <= 7.791268 )
(( attr rmsd >= 0.985648 and attr rmsd <= 1.065648 )
and bondedto ( attr rmsd >= 41.24248 and attr rmsd <= 42.84248 ))
3.6 3.6 1.4
peak 523 ppm1 7.731268 ppm2 1.025648 volume 5410000 weight 1.0
REMARK dnoe: 2.898805 position 3.276308 8.592323
ASSI { 524 }
( attr rmsd >= 8.532323 and attr rmsd <= 8.652324 )
(( attr rmsd >= 3.236308 and attr rmsd <= 3.316308 )
and bondedto ( attr rmsd >= 40.92421 and attr rmsd <= 42.52421 ))
3.0 3.0 0.5999999
peak 524 ppm1 8.592323 ppm2 3.276308 volume 12800001 weight 1.0
REMARK dnoe: 2.991367 position 2.662935 8.579241
ASSI { 525 }
( attr rmsd >= 8.51924 and attr rmsd <= 8.639241 )
(( attr rmsd >= 2.622935 and attr rmsd <= 2.702935 )
and bondedto ( attr rmsd >= 40.96970 and attr rmsd <= 42.56970 ))
3.0 3.0 0.5999999
peak 525 ppm1 8.579241 ppm2 2.662935 volume 10600000 weight 1.0
REMARK dnoe: 2.887634 position 2.660519 9.202681
ASSI { 526 }
( attr rmsd >= 9.14268 and attr rmsd <= 9.262681 )
(( attr rmsd >= 2.620519 and attr rmsd <= 2.700519 )
and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
3.0 3.0 0.5999999
peak 526 ppm1 9.202681 ppm2 2.660519 volume 13100000 weight 1.0
REMARK dnoe: 2.167715 position 2.912641 1.608796
ASSI { 527 }
( attr rmsd >= 1.548796 and attr rmsd <= 1.668796 )
(( attr rmsd >= 2.872641 and attr rmsd <= 2.952641 )
and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
2.5 2.5 0.2
peak 527 ppm1 1.608796 ppm2 2.912641 volume 73200000 weight 1.0
REMARK dnoe: 3.412426 position 0.6404319 9.881995
ASSI { 528 }
( attr rmsd >= 9.821995 and attr rmsd <= 9.941996 )
(( attr rmsd >= 0.6004319 and attr rmsd <= 0.6804319 )
and bondedto ( attr rmsd >= 13.24023 and attr rmsd <= 14.84023 ))
3.6 3.6 1.4
peak 528 ppm1 9.881995 ppm2 0.6404319 volume 4810000 weight 1.0
REMARK dnoe: 2.906424 position 0.6438551 9.108028
ASSI { 530 }
( attr rmsd >= 9.048028 and attr rmsd <= 9.168029 )
(( attr rmsd >= 0.6038551 and attr rmsd <= 0.6838551 )
and bondedto ( attr rmsd >= 13.21836 and attr rmsd <= 14.81836 ))
3.0 3.0 0.5999999
peak 530 ppm1 9.108028 ppm2 0.6438551 volume 12600000 weight 1.0
REMARK dnoe: 3.201763 position 0.2570915 9.015783
ASSI { 533 }
( attr rmsd >= 8.955783 and attr rmsd <= 9.075784 )
(( attr rmsd >= 0.2170915 and attr rmsd <= 0.2970915 )
and bondedto ( attr rmsd >= 13.22645 and attr rmsd <= 14.82645 ))
3.6 3.6 1.4
peak 533 ppm1 9.015783 ppm2 0.2570915 volume 7050000 weight 1.0
REMARK dnoe: 3.120868 position 0.6466222 6.902693
ASSI { 534 }
( attr rmsd >= 6.842693 and attr rmsd <= 6.962693 )
(( attr rmsd >= 0.6066222 and attr rmsd <= 0.6866222 )
and bondedto ( attr rmsd >= 13.18817 and attr rmsd <= 14.78817 ))
3.6 3.6 1.4
peak 534 ppm1 6.902693 ppm2 0.6466222 volume 8220001 weight 1.0
REMARK dnoe: 3.217157 position 0.2687922 6.576806
ASSI { 535 }
( attr rmsd >= 6.516806 and attr rmsd <= 6.636806 )
(( attr rmsd >= 0.2287922 and attr rmsd <= 0.3087922 )
and bondedto ( attr rmsd >= 13.23236 and attr rmsd <= 14.83236 ))
3.6 3.6 1.4
peak 535 ppm1 6.576806 ppm2 0.2687922 volume 6850000 weight 1.0
REMARK dnoe: 3.11646 position 0.2661896 6.723272
ASSI { 536 }
( attr rmsd >= 6.663272 and attr rmsd <= 6.783272 )
(( attr rmsd >= 0.2261896 and attr rmsd <= 0.3061896 )
and bondedto ( attr rmsd >= 13.24133 and attr rmsd <= 14.84133 ))
3.6 3.6 1.4
peak 536 ppm1 6.723272 ppm2 0.2661896 volume 8290000 weight 1.0
REMARK dnoe: 3.084437 position 0.2661896 6.838332
ASSI { 537 }
( attr rmsd >= 6.778332 and attr rmsd <= 6.898332 )
(( attr rmsd >= 0.2261896 and attr rmsd <= 0.3061896 )
and bondedto ( attr rmsd >= 13.16061 and attr rmsd <= 14.76061 ))
3.6 3.6 1.4
peak 537 ppm1 6.838332 ppm2 0.2661896 volume 8820000 weight 1.0
REMARK dnoe: 3.239613 position 0.6403141 5.391603
ASSI { 538 }
( attr rmsd >= 5.331603 and attr rmsd <= 5.451603 )
(( attr rmsd >= 0.6003141 and attr rmsd <= 0.6803141 )
and bondedto ( attr rmsd >= 13.12845 and attr rmsd <= 14.72845 ))
3.6 3.6 1.4
peak 538 ppm1 5.391603 ppm2 0.6403141 volume 6570000 weight 1.0
REMARK dnoe: 2.736156 position 0.6336784 4.708077
ASSI { 539 }
( attr rmsd >= 4.648077 and attr rmsd <= 4.768077 )
(( attr rmsd >= 0.5936784 and attr rmsd <= 0.6736784 )
and bondedto ( attr rmsd >= 13.19604 and attr rmsd <= 14.79604 ))
3.0 3.0 0.5999999
peak 539 ppm1 4.708077 ppm2 0.6336784 volume 18100000 weight 1.0
REMARK dnoe: 2.736156 position 0.6440425 4.869066
ASSI { 540 }
( attr rmsd >= 4.809066 and attr rmsd <= 4.929066 )
(( attr rmsd >= 0.6040425 and attr rmsd <= 0.6840425 )
and bondedto ( attr rmsd >= 13.20589 and attr rmsd <= 14.80589 ))
3.0 3.0 0.5999999
peak 540 ppm1 4.869066 ppm2 0.6440425 volume 18100000 weight 1.0
REMARK dnoe: 2.660837 position 0.6704459 4.731815
ASSI { 541 }
( attr rmsd >= 4.671815 and attr rmsd <= 4.791815 )
(( attr rmsd >= 0.6304459 and attr rmsd <= 0.7104459 )
and bondedto ( attr rmsd >= 13.19495 and attr rmsd <= 14.79495 ))
3.0 3.0 0.5999999
peak 541 ppm1 4.731815 ppm2 0.6704459 volume 21400000 weight 1.0
REMARK dnoe: 3.927284 position 0.266377 4.253661
ASSI { 542 }
( attr rmsd >= 4.193661 and attr rmsd <= 4.313661 )
(( attr rmsd >= 0.226377 and attr rmsd <= 0.306377 )
and bondedto ( attr rmsd >= 13.15272 and attr rmsd <= 14.75272 ))
4.2 4.2 1.8
peak 542 ppm1 4.253661 ppm2 0.266377 volume 2070000 weight 1.0
REMARK dnoe: 2.743789 position 0.6393533 2.653118
ASSI { 543 }
( attr rmsd >= 2.593118 and attr rmsd <= 2.713118 )
(( attr rmsd >= 0.5993533 and attr rmsd <= 0.6793533 )
and bondedto ( attr rmsd >= 13.18861 and attr rmsd <= 14.78861 ))
3.0 3.0 0.5999999
peak 543 ppm1 2.653118 ppm2 0.6393533 volume 17800000 weight 1.0
REMARK dnoe: 3.086189 position 0.638134 2.470948
ASSI { 544 }
( attr rmsd >= 2.410948 and attr rmsd <= 2.530948 )
(( attr rmsd >= 0.598134 and attr rmsd <= 0.678134 )
and bondedto ( attr rmsd >= 13.20982 and attr rmsd <= 14.80982 ))
3.6 3.6 1.4
peak 544 ppm1 2.470948 ppm2 0.638134 volume 8790000 weight 1.0
REMARK dnoe: 2.813879 position 0.2636333 2.627296
ASSI { 545 }
( attr rmsd >= 2.567296 and attr rmsd <= 2.687296 )
(( attr rmsd >= 0.2236333 and attr rmsd <= 0.3036333 )
and bondedto ( attr rmsd >= 13.20698 and attr rmsd <= 14.80698 ))
3.0 3.0 0.5999999
peak 545 ppm1 2.627296 ppm2 0.2636333 volume 15300000 weight 1.0
REMARK dnoe: 2.330545 position 0.6403613 1.902546
ASSI { 546 }
( attr rmsd >= 1.842546 and attr rmsd <= 1.962546 )
(( attr rmsd >= 0.6003613 and attr rmsd <= 0.6803613 )
and bondedto ( attr rmsd >= 13.20392 and attr rmsd <= 14.80392 ))
2.5 2.5 0.2
peak 546 ppm1 1.902546 ppm2 0.6403613 volume 47400000 weight 1.0
REMARK dnoe: 2.132759 position 0.6524611 1.001318
ASSI { 547 }
( attr rmsd >= 0.941318 and attr rmsd <= 1.061318 )
(( attr rmsd >= 0.6124611 and attr rmsd <= 0.6924611 )
and bondedto ( attr rmsd >= 13.19320 and attr rmsd <= 14.79320 ))
2.5 2.5 0.2
peak 547 ppm1 1.001318 ppm2 0.6524611 volume 80700000 weight 1.0
REMARK dnoe: 2.314548 position 0.2617106 0.5843887
ASSI { 548 }
( attr rmsd >= 0.5243887 and attr rmsd <= 0.6443887 )
(( attr rmsd >= 0.2217106 and attr rmsd <= 0.3017106 )
and bondedto ( attr rmsd >= 13.24505 and attr rmsd <= 14.84505 ))
2.5 2.5 0.2
peak 548 ppm1 0.5843887 ppm2 0.2617106 volume 49400000 weight 1.0
REMARK dnoe: 2.400429 position 0.2615232 0.9696963
ASSI { 549 }
( attr rmsd >= 0.9096963 and attr rmsd <= 1.029696 )
(( attr rmsd >= 0.2215232 and attr rmsd <= 0.3015232 )
and bondedto ( attr rmsd >= 13.23542 and attr rmsd <= 14.83542 ))
2.5 2.5 0.2
peak 549 ppm1 0.9696963 ppm2 0.2615232 volume 39700000 weight 1.0
REMARK dnoe: 2.615949 position 0.2615695 1.670988
ASSI { 550 }
( attr rmsd >= 1.610988 and attr rmsd <= 1.730988 )
(( attr rmsd >= 0.2215695 and attr rmsd <= 0.3015695 )
and bondedto ( attr rmsd >= 13.21661 and attr rmsd <= 14.81661 ))
3.0 3.0 0.5999999
peak 550 ppm1 1.670988 ppm2 0.2615695 volume 23700000 weight 1.0
REMARK dnoe: 2.922093 position 0.2636333 1.396572
ASSI { 552 }
( attr rmsd >= 1.461299 and attr rmsd <= 1.581299 )
(( attr rmsd >= 0.2228827 and attr rmsd <= 0.3028827 )
and bondedto ( attr rmsd >= 13.21661 and attr rmsd <= 14.81661 ))
3.0 3.0 0.5999999
peak 552 ppm1 1.521299 ppm2 0.2628827 volume 20600000 weight 1.0
REMARK dnoe: 2.823181 position 0.2599988 1.798485
ASSI { 553 }
( attr rmsd >= 1.738485 and attr rmsd <= 1.858485 )
(( attr rmsd >= 0.2199988 and attr rmsd <= 0.2999988 )
and bondedto ( attr rmsd >= 13.23542 and attr rmsd <= 14.83542 ))
3.0 3.0 0.5999999
peak 553 ppm1 1.798485 ppm2 0.2599988 volume 15000001 weight 1.0
REMARK dnoe: 2.237663 position 0.6436205 1.610902
ASSI { 554 }
( attr rmsd >= 1.550902 and attr rmsd <= 1.670902 )
(( attr rmsd >= 0.6036205 and attr rmsd <= 0.6836205 )
and bondedto ( attr rmsd >= 13.20392 and attr rmsd <= 14.80392 ))
2.5 2.5 0.2
peak 554 ppm1 1.610902 ppm2 0.6436205 volume 60500000 weight 1.0
REMARK dnoe: 2.034808 position 0.6443949 1.372576
ASSI { 555 }
( attr rmsd >= 1.312576 and attr rmsd <= 1.432576 )
(( attr rmsd >= 0.6043949 and attr rmsd <= 0.6843949 )
and bondedto ( attr rmsd >= 13.21464 and attr rmsd <= 14.81464 ))
2.5 2.5 0.2
peak 555 ppm1 1.372576 ppm2 0.6443949 volume 107000000 weight 1.0
REMARK dnoe: 2.72867 position 0.2559185 0.7567627
ASSI { 556 }
( attr rmsd >= 0.6967627 and attr rmsd <= 0.8167627 )
(( attr rmsd >= 0.2159185 and attr rmsd <= 0.2959185 )
and bondedto ( attr rmsd >= 13.22601 and attr rmsd <= 14.82601 ))
3.0 3.0 0.5999999
peak 556 ppm1 0.7567627 ppm2 0.2559185 volume 18400000 weight 1.0
REMARK dnoe: 2.810826 position 0.2504787 -0.006505
ASSI { 557 }
( attr rmsd >= -0.066505 and attr rmsd <= 0.053495 )
(( attr rmsd >= 0.2104787 and attr rmsd <= 0.2904787 )
and bondedto ( attr rmsd >= 13.23148 and attr rmsd <= 14.83148 ))
3.0 3.0 0.5999999
peak 557 ppm1 -0.006505 ppm2 0.2504787 volume 15400000 weight 1.0
REMARK dnoe: 2.180306 position 0.6855941 1.038225
ASSI { 558 }
( attr rmsd >= 0.9782251 and attr rmsd <= 1.098225 )
(( attr rmsd >= 0.6455941 and attr rmsd <= 0.7255941 )
and bondedto ( attr rmsd >= 13.13064 and attr rmsd <= 14.73064 ))
2.5 2.5 0.2
peak 558 ppm1 1.038225 ppm2 0.6855941 volume 70700000 weight 1.0
REMARK dnoe: 2.158477 position 0.6855941 1.360461
ASSI { 559 }
( attr rmsd >= 1.300461 and attr rmsd <= 1.420461 )
(( attr rmsd >= 0.6455941 and attr rmsd <= 0.7255941 )
and bondedto ( attr rmsd >= 13.13786 and attr rmsd <= 14.73786 ))
2.5 2.5 0.2
peak 559 ppm1 1.360461 ppm2 0.6855941 volume 75100000 weight 1.0
REMARK dnoe: 2.341372 position 0.6835308 1.636681
ASSI { 560 }
( attr rmsd >= 1.576681 and attr rmsd <= 1.696681 )
(( attr rmsd >= 0.6435308 and attr rmsd <= 0.7235308 )
and bondedto ( attr rmsd >= 13.14486 and attr rmsd <= 14.74486 ))
2.5 2.5 0.2
peak 560 ppm1 1.636681 ppm2 0.6835308 volume 46100000 weight 1.0
REMARK dnoe: 3.101066 position -0.0295234 1.565939
ASSI { 562 }
( attr rmsd >= 1.160181 and attr rmsd <= 1.280181 )
(( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )
and bondedto ( attr rmsd >= 12.37991 and attr rmsd <= 13.97991 ))
3.0 3.0 0.5999999
peak 562 ppm1 1.220181 ppm2 -0.0320325 volume 21600000 weight 1.0
REMARK dnoe: 2.67996 position -0.0320325 1.006689
ASSI { 563 }
( attr rmsd >= 0.946689 and attr rmsd <= 1.066689 )
(( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )
and bondedto ( attr rmsd >= 12.37881 and attr rmsd <= 13.97881 ))
3.0 3.0 0.5999999
peak 563 ppm1 1.006689 ppm2 -0.0320325 volume 20500000 weight 1.0
REMARK dnoe: 2.684343 position -0.0320325 0.5286636
ASSI { 565 }
( attr rmsd >= 0.3804783 and attr rmsd <= 0.5004783 )
(( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )
and bondedto ( attr rmsd >= 12.36766 and attr rmsd <= 13.96766 ))
3.0 3.0 0.5999999
peak 565 ppm1 0.4404783 ppm2 -0.0320325 volume 26100000 weight 1.0
REMARK dnoe: 2.158477 position 0.6235723 0.8686216
ASSI { 566 }
( attr rmsd >= 0.8086216 and attr rmsd <= 0.9286216 )
(( attr rmsd >= 0.5835723 and attr rmsd <= 0.6635723 )
and bondedto ( attr rmsd >= 12.37729 and attr rmsd <= 13.97729 ))
2.5 2.5 0.2
peak 566 ppm1 0.8686216 ppm2 0.6235723 volume 75100000 weight 1.0
REMARK dnoe: 2.475531 position 0.6251903 1.063381
ASSI { 568 }
( attr rmsd >= 1.214961 and attr rmsd <= 1.334961 )
(( attr rmsd >= 0.5851903 and attr rmsd <= 0.6651903 )
and bondedto ( attr rmsd >= 12.40200 and attr rmsd <= 14.00200 ))
2.5 2.5 0.2
peak 568 ppm1 1.274961 ppm2 0.6251903 volume 50800000 weight 1.0
REMARK dnoe: 2.597992 position 0.6251903 1.443274
ASSI { 569 }
( attr rmsd >= 1.383274 and attr rmsd <= 1.503274 )
(( attr rmsd >= 0.5851903 and attr rmsd <= 0.6651903 )
and bondedto ( attr rmsd >= 12.41862 and attr rmsd <= 14.01862 ))
3.0 3.0 0.5999999
peak 569 ppm1 1.443274 ppm2 0.6251903 volume 24700000 weight 1.0
REMARK dnoe: 2.437638 position 0.6235723 1.729398
ASSI { 570 }
( attr rmsd >= 1.669398 and attr rmsd <= 1.789398 )
(( attr rmsd >= 0.5835723 and attr rmsd <= 0.6635723 )
and bondedto ( attr rmsd >= 12.40200 and attr rmsd <= 14.00200 ))
2.5 2.5 0.2
peak 570 ppm1 1.729398 ppm2 0.6235723 volume 36200000 weight 1.0
REMARK dnoe: 3.031263 position 0.6213446 2.766158
ASSI { 571 }
( attr rmsd >= 2.706158 and attr rmsd <= 2.826158 )
(( attr rmsd >= 0.5813446 and attr rmsd <= 0.6613446 )
and bondedto ( attr rmsd >= 12.39390 and attr rmsd <= 13.99390 ))
3.6 3.6 1.4
peak 571 ppm1 2.766158 ppm2 0.6213446 volume 9790000 weight 1.0
REMARK dnoe: 3.479472 position -0.0310707 3.73469
ASSI { 572 }
( attr rmsd >= 3.67469 and attr rmsd <= 3.79469 )
(( attr rmsd >= -0.0710707 and attr rmsd <= 0.0089293 )
and bondedto ( attr rmsd >= 12.38188 and attr rmsd <= 13.98188 ))
3.6 3.6 1.4
peak 572 ppm1 3.73469 ppm2 -0.0310707 volume 4280000 weight 1.0
REMARK dnoe: 3.138288 position 0.6219306 4.254606
ASSI { 573 }
( attr rmsd >= 4.194606 and attr rmsd <= 4.314606 )
(( attr rmsd >= 0.5819306 and attr rmsd <= 0.6619306 )
and bondedto ( attr rmsd >= 12.39872 and attr rmsd <= 13.99872 ))
3.6 3.6 1.4
peak 573 ppm1 4.254606 ppm2 0.6219306 volume 7950000 weight 1.0
REMARK dnoe: 3.102278 position 0.6219306 4.757057
ASSI { 574 }
( attr rmsd >= 4.697057 and attr rmsd <= 4.817057 )
(( attr rmsd >= 0.5819306 and attr rmsd <= 0.6619306 )
and bondedto ( attr rmsd >= 12.38166 and attr rmsd <= 13.98166 ))
3.6 3.6 1.4
peak 574 ppm1 4.757057 ppm2 0.6219306 volume 8520000 weight 1.0
REMARK dnoe: 3.04118 position -0.032712 6.5576
ASSI { 575 }
( attr rmsd >= 6.4976 and attr rmsd <= 6.6176 )
(( attr rmsd >= -0.072712 and attr rmsd <= 0.007288 )
and bondedto ( attr rmsd >= 12.38494 and attr rmsd <= 13.98494 ))
3.6 3.6 1.4
peak 575 ppm1 6.5576 ppm2 -0.032712 volume 9600000 weight 1.0
REMARK dnoe: 3.086189 position -0.0310707 6.743938
ASSI { 576 }
( attr rmsd >= 6.683938 and attr rmsd <= 6.803938 )
(( attr rmsd >= -0.0710707 and attr rmsd <= 0.0089293 )
and bondedto ( attr rmsd >= 12.37904 and attr rmsd <= 13.97904 ))
3.6 3.6 1.4
peak 576 ppm1 6.743938 ppm2 -0.0310707 volume 8790000 weight 1.0
REMARK dnoe: 3.41361 position 0.6251192 8.357629
ASSI { 577 }
( attr rmsd >= 8.297628 and attr rmsd <= 8.417629 )
(( attr rmsd >= 0.5851192 and attr rmsd <= 0.6651192 )
and bondedto ( attr rmsd >= 12.37269 and attr rmsd <= 13.97269 ))
3.6 3.6 1.4
peak 577 ppm1 8.357629 ppm2 0.6251192 volume 4800000 weight 1.0
REMARK dnoe: 3.408891 position 0.6227512 8.461968
ASSI { 578 }
( attr rmsd >= 8.401968 and attr rmsd <= 8.521969 )
(( attr rmsd >= 0.5827512 and attr rmsd <= 0.6627512 )
and bondedto ( attr rmsd >= 12.35934 and attr rmsd <= 13.95934 ))
3.6 3.6 1.4
peak 578 ppm1 8.461968 ppm2 0.6227512 volume 4840000 weight 1.0
REMARK dnoe: 2.59277 position 0.6642556 0.3286839
ASSI { 579 }
( attr rmsd >= 0.2686839 and attr rmsd <= 0.3886839 )
(( attr rmsd >= 0.6242556 and attr rmsd <= 0.7042556 )
and bondedto ( attr rmsd >= 11.85974 and attr rmsd <= 13.45974 ))
3.0 3.0 0.5999999
peak 579 ppm1 0.3286839 ppm2 0.6642556 volume 25000000 weight 1.0
REMARK dnoe: 2.235819 position 0.6650524 0.9694812
ASSI { 580 }
( attr rmsd >= 0.9094812 and attr rmsd <= 1.029481 )
(( attr rmsd >= 0.6250524 and attr rmsd <= 0.7050524 )
and bondedto ( attr rmsd >= 11.85974 and attr rmsd <= 13.45974 ))
2.5 2.5 0.2
peak 580 ppm1 0.9694812 ppm2 0.6650524 volume 60800000 weight 1.0
REMARK dnoe: 2.357854 position 0.6646776 1.270149
ASSI { 581 }
( attr rmsd >= 1.210149 and attr rmsd <= 1.330149 )
(( attr rmsd >= 0.6246776 and attr rmsd <= 0.7046776 )
and bondedto ( attr rmsd >= 11.87002 and attr rmsd <= 13.47002 ))
2.5 2.5 0.2
peak 581 ppm1 1.270149 ppm2 0.6646776 volume 44200000 weight 1.0
REMARK dnoe: 2.550366 position 0.6639743 1.628517
ASSI { 582 }
( attr rmsd >= 1.568517 and attr rmsd <= 1.688517 )
(( attr rmsd >= 0.6239743 and attr rmsd <= 0.7039743 )
and bondedto ( attr rmsd >= 11.89080 and attr rmsd <= 13.49080 ))
3.0 3.0 0.5999999
peak 582 ppm1 1.628517 ppm2 0.6639743 volume 27600000 weight 1.0
REMARK dnoe: 2.887634 position 0.6650524 2.214664
ASSI { 583 }
( attr rmsd >= 2.154664 and attr rmsd <= 2.274664 )
(( attr rmsd >= 0.6250524 and attr rmsd <= 0.7050524 )
and bondedto ( attr rmsd >= 11.90130 and attr rmsd <= 13.50130 ))
3.0 3.0 0.5999999
peak 583 ppm1 2.214664 ppm2 0.6650524 volume 13100000 weight 1.0
REMARK dnoe: 2.751573 position 0.6647477 3.713745
ASSI { 584 }
( attr rmsd >= 3.653745 and attr rmsd <= 3.773745 )
(( attr rmsd >= 0.6247477 and attr rmsd <= 0.7047477 )
and bondedto ( attr rmsd >= 11.82496 and attr rmsd <= 13.42496 ))
3.0 3.0 0.5999999
peak 584 ppm1 3.713745 ppm2 0.6647477 volume 17500000 weight 1.0
REMARK dnoe: 3.027154 position 0.6639977 3.980083
ASSI { 585 }
( attr rmsd >= 3.920083 and attr rmsd <= 4.040083 )
(( attr rmsd >= 0.6239977 and attr rmsd <= 0.7039977 )
and bondedto ( attr rmsd >= 11.85471 and attr rmsd <= 13.45471 ))
3.6 3.6 1.4
peak 585 ppm1 3.980083 ppm2 0.6639977 volume 9870000 weight 1.0
REMARK dnoe: 3.224256 position 0.6654282 4.371857
ASSI { 586 }
( attr rmsd >= 4.311857 and attr rmsd <= 4.431857 )
(( attr rmsd >= 0.6254282 and attr rmsd <= 0.7054282 )
and bondedto ( attr rmsd >= 11.83984 and attr rmsd <= 13.43984 ))
3.6 3.6 1.4
peak 586 ppm1 4.371857 ppm2 0.6654282 volume 6760000 weight 1.0
REMARK dnoe: 3.133055 position 0.6673975 6.68295
ASSI { 587 }
( attr rmsd >= 6.62295 and attr rmsd <= 6.74295 )
(( attr rmsd >= 0.6273975 and attr rmsd <= 0.7073975 )
and bondedto ( attr rmsd >= 11.87090 and attr rmsd <= 13.47090 ))
3.6 3.6 1.4
peak 587 ppm1 6.68295 ppm2 0.6673975 volume 0.803e+07 weight 1.0
REMARK dnoe: 3.637266 position 0.66993 6.841232
ASSI { 588 }
( attr rmsd >= 6.781232 and attr rmsd <= 6.901232 )
(( attr rmsd >= 0.62993 and attr rmsd <= 0.70993 )
and bondedto ( attr rmsd >= 11.82890 and attr rmsd <= 13.42890 ))
4.2 4.2 1.8
peak 588 ppm1 6.841232 ppm2 0.66993 volume 3280000 weight 1.0
REMARK dnoe: 3.716966 position 0.6673975 7.955393
ASSI { 589 }
( attr rmsd >= 7.895393 and attr rmsd <= 8.015393 )
(( attr rmsd >= 0.6273975 and attr rmsd <= 0.7073975 )
and bondedto ( attr rmsd >= 11.78712 and attr rmsd <= 13.38712 ))
4.2 4.2 1.8
peak 589 ppm1 7.955393 ppm2 0.6673975 volume 2880000 weight 1.0
REMARK dnoe: 3.273707 position 0.6648417 8.517114
ASSI { 590 }
( attr rmsd >= 8.457113 and attr rmsd <= 8.577114 )
(( attr rmsd >= 0.6248417 and attr rmsd <= 0.7048417 )
and bondedto ( attr rmsd >= 11.91290 and attr rmsd <= 13.51290 ))
3.6 3.6 1.4
peak 590 ppm1 8.517114 ppm2 0.6648417 volume 6170000 weight 1.0
REMARK dnoe: 2.597992 position 4.475642 1.175218
ASSI { 591 }
( attr rmsd >= 1.115218 and attr rmsd <= 1.235218 )
(( attr rmsd >= 4.435642 and attr rmsd <= 4.515642 )
and bondedto ( attr rmsd >= 72.25845 and attr rmsd <= 73.85845 ))
3.0 3.0 0.5999999
peak 591 ppm1 1.175218 ppm2 4.475642 volume 24700000 weight 1.0
REMARK dnoe: 2.784343 position 4.467951 4.999894
ASSI { 593 }
( attr rmsd >= 4.939894 and attr rmsd <= 5.059894 )
(( attr rmsd >= 4.427951 and attr rmsd <= 4.507951 )
and bondedto ( attr rmsd >= 72.27377 and attr rmsd <= 73.87377 ))
3.0 3.0 0.5999999
peak 593 ppm1 4.999894 ppm2 4.467951 volume 16300000 weight 1.0
REMARK dnoe: 2.930154 position 4.468771 9.447386
ASSI { 594 }
( attr rmsd >= 9.387385 and attr rmsd <= 9.507386 )
(( attr rmsd >= 4.428771 and attr rmsd <= 4.508771 )
and bondedto ( attr rmsd >= 72.28952 and attr rmsd <= 73.88952 ))
3.0 3.0 0.5999999
peak 594 ppm1 9.447386 ppm2 4.468771 volume 12000000 weight 1.0
REMARK dnoe: 3.671643 position 4.468396 8.631508
ASSI { 595 }
( attr rmsd >= 8.571507 and attr rmsd <= 8.691508 )
(( attr rmsd >= 4.428396 and attr rmsd <= 4.508396 )
and bondedto ( attr rmsd >= 72.27267 and attr rmsd <= 73.87267 ))
4.2 4.2 1.8
peak 595 ppm1 8.631508 ppm2 4.468396 volume 3100000 weight 1.0
REMARK dnoe: 2.906424 position 4.112092 0.6759462
ASSI { 596 }
( attr rmsd >= 0.6159462 and attr rmsd <= 0.7359462 )
(( attr rmsd >= 4.072092 and attr rmsd <= 4.152092 )
and bondedto ( attr rmsd >= 70.39585 and attr rmsd <= 71.99585 ))
3.0 3.0 0.5999999
peak 596 ppm1 0.6759462 ppm2 4.112092 volume 12600000 weight 1.0
REMARK dnoe: 2.464454 position 4.112233 1.274509
ASSI { 597 }
( attr rmsd >= 1.214509 and attr rmsd <= 1.334509 )
(( attr rmsd >= 4.072233 and attr rmsd <= 4.152233 )
and bondedto ( attr rmsd >= 70.34642 and attr rmsd <= 71.94642 ))
2.5 2.5 0.2
peak 597 ppm1 1.274509 ppm2 4.112233 volume 33900000 weight 1.0
REMARK dnoe: 2.866161 position 4.113992 2.034125
ASSI { 598 }
( attr rmsd >= 1.974125 and attr rmsd <= 2.094125 )
(( attr rmsd >= 4.073992 and attr rmsd <= 4.153992 )
and bondedto ( attr rmsd >= 70.34642 and attr rmsd <= 71.94642 ))
3.0 3.0 0.5999999
peak 598 ppm1 2.034125 ppm2 4.113992 volume 13699999 weight 1.0
REMARK dnoe: 2.640661 position 4.112772 4.699248
ASSI { 599 }
( attr rmsd >= 4.639248 and attr rmsd <= 4.759248 )
(( attr rmsd >= 4.072772 and attr rmsd <= 4.152772 )
and bondedto ( attr rmsd >= 70.47810 and attr rmsd <= 72.07810 ))
3.0 3.0 0.5999999
peak 599 ppm1 4.699248 ppm2 4.112772 volume 22400000 weight 1.0
REMARK dnoe: 2.996096 position 4.111647 8.918104
ASSI { 600 }
( attr rmsd >= 8.858104 and attr rmsd <= 8.978105 )
(( attr rmsd >= 4.071647 and attr rmsd <= 4.151647 )
and bondedto ( attr rmsd >= 70.41816 and attr rmsd <= 72.01816 ))
3.0 3.0 0.5999999
peak 600 ppm1 8.918104 ppm2 4.111647 volume 10500000 weight 1.0
REMARK dnoe: 3.472744 position 4.111389 9.211466
ASSI { 601 }
( attr rmsd >= 9.151465 and attr rmsd <= 9.271466 )
(( attr rmsd >= 4.071389 and attr rmsd <= 4.151389 )
and bondedto ( attr rmsd >= 70.36567 and attr rmsd <= 71.96567 ))
3.6 3.6 1.4
peak 601 ppm1 9.211466 ppm2 4.111389 volume 4330000 weight 1.0
REMARK dnoe: 2.435401 position 3.645884 0.8969784
ASSI { 602 }
( attr rmsd >= 0.8369784 and attr rmsd <= 0.9569784 )
(( attr rmsd >= 3.605884 and attr rmsd <= 3.685884 )
and bondedto ( attr rmsd >= 69.84681 and attr rmsd <= 71.44681 ))
2.5 2.5 0.2
peak 602 ppm1 0.8969784 ppm2 3.645884 volume 36400000 weight 1.0
REMARK dnoe: 2.21506 position 4.233088 1.154531
ASSI { 603 }
( attr rmsd >= 1.094531 and attr rmsd <= 1.214531 )
(( attr rmsd >= 4.193088 and attr rmsd <= 4.273088 )
and bondedto ( attr rmsd >= 69.77047 and attr rmsd <= 71.37047 ))
2.5 2.5 0.2
peak 603 ppm1 1.154531 ppm2 4.233088 volume 64300000 weight 1.0
REMARK dnoe: 2.124503 position 4.319403 1.13771
ASSI { 604 }
( attr rmsd >= 1.07771 and attr rmsd <= 1.19771 )
(( attr rmsd >= 4.279403 and attr rmsd <= 4.359403 )
and bondedto ( attr rmsd >= 69.42135 and attr rmsd <= 71.02135 ))
2.5 2.5 0.2
peak 604 ppm1 1.13771 ppm2 4.319403 volume 82600000 weight 1.0
REMARK dnoe: 2.58762 position 3.973182 1.06845
ASSI { 605 }
( attr rmsd >= 1.00845 and attr rmsd <= 1.12845 )
(( attr rmsd >= 3.933182 and attr rmsd <= 4.013182 )
and bondedto ( attr rmsd >= 69.86015 and attr rmsd <= 71.46015 ))
3.0 3.0 0.5999999
peak 605 ppm1 1.06845 ppm2 3.973182 volume 25300000 weight 1.0
REMARK dnoe: 3.210937 position 3.646798 4.120922
ASSI { 606 }
( attr rmsd >= 4.060922 and attr rmsd <= 4.180922 )
(( attr rmsd >= 3.606798 and attr rmsd <= 3.686798 )
and bondedto ( attr rmsd >= 69.84637 and attr rmsd <= 71.44637 ))
3.6 3.6 1.4
peak 606 ppm1 4.120922 ppm2 3.646798 volume 6930000 weight 1.0
REMARK dnoe: 2.404484 position 4.230696 4.57001
ASSI { 609 }
( attr rmsd >= 4.51001 and attr rmsd <= 4.63001 )
(( attr rmsd >= 4.190696 and attr rmsd <= 4.270696 )
and bondedto ( attr rmsd >= 69.81443 and attr rmsd <= 71.41443 ))
2.5 2.5 0.2
peak 609 ppm1 4.57001 ppm2 4.230696 volume 39300000 weight 1.0
REMARK dnoe: 3.569793 position 3.645907 7.36117
ASSI { 610 }
( attr rmsd >= 7.30117 and attr rmsd <= 7.42117 )
(( attr rmsd >= 3.605907 and attr rmsd <= 3.685907 )
and bondedto ( attr rmsd >= 69.76522 and attr rmsd <= 71.36522 ))
3.6 3.6 1.4
peak 610 ppm1 7.36117 ppm2 3.645907 volume 0.367e+07 weight 1.0
REMARK dnoe: 3.344162 position 3.646399 8.054427
ASSI { 611 }
( attr rmsd >= 7.994427 and attr rmsd <= 8.114428 )
(( attr rmsd >= 3.606399 and attr rmsd <= 3.686399 )
and bondedto ( attr rmsd >= 69.91287 and attr rmsd <= 71.51287 ))
3.6 3.6 1.4
peak 611 ppm1 8.054427 ppm2 3.646399 volume 5430000 weight 1.0
REMARK dnoe: 2.394435 position 4.125153 1.176292
ASSI { 612 }
( attr rmsd >= 1.116292 and attr rmsd <= 1.236292 )
(( attr rmsd >= 4.085153 and attr rmsd <= 4.165153 )
and bondedto ( attr rmsd >= 69.13873 and attr rmsd <= 70.73873 ))
2.5 2.5 0.2
peak 612 ppm1 1.176292 ppm2 4.125153 volume 40300000 weight 1.0
REMARK dnoe: 2.891324 position 4.123114 3.650672
ASSI { 613 }
( attr rmsd >= 3.590672 and attr rmsd <= 3.710672 )
(( attr rmsd >= 4.083114 and attr rmsd <= 4.163114 )
and bondedto ( attr rmsd >= 69.12802 and attr rmsd <= 70.72802 ))
3.0 3.0 0.5999999
peak 613 ppm1 3.650672 ppm2 4.123114 volume 13000000 weight 1.0
REMARK dnoe: 2.996096 position 4.129163 3.79961
ASSI { 614 }
( attr rmsd >= 3.73961 and attr rmsd <= 3.85961 )
(( attr rmsd >= 4.089163 and attr rmsd <= 4.169163 )
and bondedto ( attr rmsd >= 69.21661 and attr rmsd <= 70.81661 ))
3.0 3.0 0.5999999
peak 614 ppm1 3.79961 ppm2 4.129163 volume 10500000 weight 1.0
REMARK dnoe: 2.158477 position 4.321631 4.47798
ASSI { 615 }
( attr rmsd >= 4.41798 and attr rmsd <= 4.53798 )
(( attr rmsd >= 4.281631 and attr rmsd <= 4.361631 )
and bondedto ( attr rmsd >= 69.40341 and attr rmsd <= 71.00341 ))
2.5 2.5 0.2
peak 615 ppm1 4.47798 ppm2 4.321631 volume 75100000 weight 1.0
REMARK dnoe: 2.667106 position 4.126466 4.584403
ASSI { 616 }
( attr rmsd >= 4.524403 and attr rmsd <= 4.644403 )
(( attr rmsd >= 4.086466 and attr rmsd <= 4.166466 )
and bondedto ( attr rmsd >= 69.13873 and attr rmsd <= 70.73873 ))
3.0 3.0 0.5999999
peak 616 ppm1 4.584403 ppm2 4.126466 volume 21100000 weight 1.0
REMARK dnoe: 2.615949 position 3.96868 8.504117
ASSI { 617 }
( attr rmsd >= 8.444117 and attr rmsd <= 8.564117 )
(( attr rmsd >= 3.92868 and attr rmsd <= 4.00868 )
and bondedto ( attr rmsd >= 68.85502 and attr rmsd <= 70.45502 ))
3.0 3.0 0.5999999
peak 617 ppm1 8.504117 ppm2 3.96868 volume 23700000 weight 1.0
REMARK dnoe: 3.050789 position 3.970133 1.498012
ASSI { 618 }
( attr rmsd >= 1.438012 and attr rmsd <= 1.558012 )
(( attr rmsd >= 3.930133 and attr rmsd <= 4.010133 )
and bondedto ( attr rmsd >= 68.88696 and attr rmsd <= 70.48696 ))
3.6 3.6 1.4
peak 618 ppm1 1.498012 ppm2 3.970133 volume 9420000 weight 1.0
REMARK dnoe: 2.352561 position 3.972033 1.075905
ASSI { 619 }
( attr rmsd >= 1.015905 and attr rmsd <= 1.135905 )
(( attr rmsd >= 3.932033 and attr rmsd <= 4.012033 )
and bondedto ( attr rmsd >= 68.81259 and attr rmsd <= 70.41259 ))
2.5 2.5 0.2
peak 619 ppm1 1.075905 ppm2 3.972033 volume 44800000 weight 1.0
REMARK dnoe: 3.566561 position 3.97154 9.017845
ASSI { 620 }
( attr rmsd >= 8.957845 and attr rmsd <= 9.077846 )
(( attr rmsd >= 3.93154 and attr rmsd <= 4.01154 )
and bondedto ( attr rmsd >= 68.78809 and attr rmsd <= 70.38809 ))
3.6 3.6 1.4
peak 620 ppm1 9.017845 ppm2 3.97154 volume 3690000 weight 1.0
REMARK dnoe: 2.634812 position 4.315135 1.158998
ASSI { 621 }
( attr rmsd >= 1.098998 and attr rmsd <= 1.218998 )
(( attr rmsd >= 4.275135 and attr rmsd <= 4.355135 )
and bondedto ( attr rmsd >= 68.53238 and attr rmsd <= 70.13238 ))
3.0 3.0 0.5999999
peak 621 ppm1 1.158998 ppm2 4.315135 volume 22700000 weight 1.0
REMARK dnoe: 2.419065 position 2.848227 2.487575
ASSI { 622 }
( attr rmsd >= 2.427575 and attr rmsd <= 2.547575 )
(( attr rmsd >= 2.808227 and attr rmsd <= 2.888227 )
and bondedto ( attr rmsd >= 40.35722 and attr rmsd <= 41.95722 ))
2.5 2.5 0.2
peak 622 ppm1 2.487575 ppm2 2.848227 volume 37900000 weight 1.0
REMARK dnoe: 2.402451 position 2.496214 2.851529
ASSI { 623 }
( attr rmsd >= 2.791529 and attr rmsd <= 2.911529 )
(( attr rmsd >= 2.456214 and attr rmsd <= 2.536214 )
and bondedto ( attr rmsd >= 40.36553 and attr rmsd <= 41.96553 ))
2.5 2.5 0.2
peak 623 ppm1 2.851529 ppm2 2.496214 volume 39500000 weight 1.0
REMARK dnoe: 3.070102 position 1.914169 1.563232
ASSI { 624 }
( attr rmsd >= 1.503232 and attr rmsd <= 1.623232 )
(( attr rmsd >= 1.874169 and attr rmsd <= 1.954169 )
and bondedto ( attr rmsd >= 40.37931 and attr rmsd <= 41.97931 ))
3.6 3.6 1.4
peak 624 ppm1 1.563232 ppm2 1.914169 volume 9070000 weight 1.0
REMARK dnoe: 2.470565 position 1.65227 1.891697
ASSI { 625 }
( attr rmsd >= 1.831697 and attr rmsd <= 1.951697 )
(( attr rmsd >= 1.61227 and attr rmsd <= 1.69227 )
and bondedto ( attr rmsd >= 40.18573 and attr rmsd <= 41.78573 ))
2.5 2.5 0.2
peak 625 ppm1 1.891697 ppm2 1.65227 volume 33400000 weight 1.0
REMARK dnoe: 2.544257 position 1.632549 1.372941
ASSI { 626 }
( attr rmsd >= 1.312941 and attr rmsd <= 1.432941 )
(( attr rmsd >= 1.592549 and attr rmsd <= 1.672549 )
and bondedto ( attr rmsd >= 40.21460 and attr rmsd <= 41.81460 ))
3.0 3.0 0.5999999
peak 626 ppm1 1.372941 ppm2 1.632549 volume 28000000 weight 1.0
REMARK dnoe: 2.567712 position 1.631494 1.040652
ASSI { 627 }
( attr rmsd >= 0.980652 and attr rmsd <= 1.100652 )
(( attr rmsd >= 1.591494 and attr rmsd <= 1.671494 )
and bondedto ( attr rmsd >= 40.22182 and attr rmsd <= 41.82182 ))
3.0 3.0 0.5999999
peak 627 ppm1 1.040652 ppm2 1.631494 volume 26499998 weight 1.0
REMARK dnoe: 2.054473 position 1.647884 0.6719079
ASSI { 628 }
( attr rmsd >= 0.6119079 and attr rmsd <= 0.7319079 )
(( attr rmsd >= 1.607884 and attr rmsd <= 1.687884 )
and bondedto ( attr rmsd >= 40.19251 and attr rmsd <= 41.79251 ))
2.5 2.5 0.2
peak 628 ppm1 0.6719079 ppm2 1.647884 volume 101000000 weight 1.0
REMARK dnoe: 2.682145 position 1.583588 1.907379
ASSI { 629 }
( attr rmsd >= 1.847379 and attr rmsd <= 1.967379 )
(( attr rmsd >= 1.543588 and attr rmsd <= 1.623588 )
and bondedto ( attr rmsd >= 40.37035 and attr rmsd <= 41.97035 ))
3.0 3.0 0.5999999
peak 629 ppm1 1.907379 ppm2 1.583588 volume 20400000 weight 1.0
REMARK dnoe: 3.054584 position 2.853011 0.2875023
ASSI { 630 }
( attr rmsd >= 0.2275023 and attr rmsd <= 0.3475023 )
(( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )
and bondedto ( attr rmsd >= 40.41169 and attr rmsd <= 42.01169 ))
3.6 3.6 1.4
peak 630 ppm1 0.2875023 ppm2 2.853011 volume 9350000 weight 1.0
REMARK dnoe: 3.102885 position 2.500833 0.2711973
ASSI { 631 }
( attr rmsd >= 0.2111973 and attr rmsd <= 0.3311973 )
(( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )
and bondedto ( attr rmsd >= 40.50531 and attr rmsd <= 42.10531 ))
3.6 3.6 1.4
peak 631 ppm1 0.2711973 ppm2 2.500833 volume 8510000 weight 1.0
REMARK dnoe: 2.515169 position 2.500833 0.6027131
ASSI { 632 }
( attr rmsd >= 0.5427131 and attr rmsd <= 0.6627131 )
(( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )
and bondedto ( attr rmsd >= 40.43028 and attr rmsd <= 42.03028 ))
3.0 3.0 0.5999999
peak 632 ppm1 0.6027131 ppm2 2.500833 volume 30000002 weight 1.0
REMARK dnoe: 2.536763 position 2.853011 0.6002212
ASSI { 633 }
( attr rmsd >= 0.5402212 and attr rmsd <= 0.6602212 )
(( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )
and bondedto ( attr rmsd >= 40.36160 and attr rmsd <= 41.96160 ))
3.0 3.0 0.5999999
peak 633 ppm1 0.6002212 ppm2 2.853011 volume 28500000 weight 1.0
REMARK dnoe: 3.179602 position 2.853011 0.8196633
ASSI { 634 }
( attr rmsd >= 0.7596633 and attr rmsd <= 0.8796633 )
(( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )
and bondedto ( attr rmsd >= 40.37406 and attr rmsd <= 41.97406 ))
3.6 3.6 1.4
peak 634 ppm1 0.8196633 ppm2 2.853011 volume 7350000 weight 1.0
REMARK dnoe: 3.102278 position 2.500833 0.8068814
ASSI { 635 }
( attr rmsd >= 0.7468814 and attr rmsd <= 0.8668814 )
(( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )
and bondedto ( attr rmsd >= 40.23473 and attr rmsd <= 41.83473 ))
3.6 3.6 1.4
peak 635 ppm1 0.8068814 ppm2 2.500833 volume 8520000 weight 1.0
REMARK dnoe: 3.467425 position 2.500833 0.9978807
ASSI { 636 }
( attr rmsd >= 0.9378807 and attr rmsd <= 1.057881 )
(( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )
and bondedto ( attr rmsd >= 40.40775 and attr rmsd <= 42.00775 ))
3.6 3.6 1.4
peak 636 ppm1 0.9978807 ppm2 2.500833 volume 4370000 weight 1.0
REMARK dnoe: 3.479472 position 2.853011 0.9915648
ASSI { 637 }
( attr rmsd >= 0.9315648 and attr rmsd <= 1.051565 )
(( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )
and bondedto ( attr rmsd >= 40.37406 and attr rmsd <= 41.97406 ))
3.6 3.6 1.4
peak 637 ppm1 0.9915648 ppm2 2.853011 volume 4280000 weight 1.0
REMARK dnoe: 3.5293 position 2.855637 1.416593
ASSI { 644 }
( attr rmsd >= 4.295272 and attr rmsd <= 4.415272 )
(( attr rmsd >= 2.808532 and attr rmsd <= 2.888532 )
and bondedto ( attr rmsd >= 40.36728 and attr rmsd <= 41.96728 ))
3.0 3.0 0.5999999
peak 644 ppm1 4.355272 ppm2 2.848532 volume 17700000 weight 1.0
REMARK dnoe: 2.873195 position 2.496144 4.352265
ASSI { 645 }
( attr rmsd >= 4.292265 and attr rmsd <= 4.412265 )
(( attr rmsd >= 2.456144 and attr rmsd <= 2.536144 )
and bondedto ( attr rmsd >= 40.41191 and attr rmsd <= 42.01191 ))
3.0 3.0 0.5999999
peak 645 ppm1 4.352265 ppm2 2.496144 volume 13500001 weight 1.0
REMARK dnoe: 2.902597 position 1.647041 4.735166
ASSI { 648 }
( attr rmsd >= 4.675166 and attr rmsd <= 4.795166 )
(( attr rmsd >= 1.607041 and attr rmsd <= 1.687041 )
and bondedto ( attr rmsd >= 40.23188 and attr rmsd <= 41.83188 ))
3.0 3.0 0.5999999
peak 648 ppm1 4.735166 ppm2 1.647041 volume 12700000 weight 1.0
REMARK dnoe: 3.388208 position 1.632362 9.875744
ASSI { 649 }
( attr rmsd >= 9.815743 and attr rmsd <= 9.935744 )
(( attr rmsd >= 1.592362 and attr rmsd <= 1.672362 )
and bondedto ( attr rmsd >= 40.20869 and attr rmsd <= 41.80869 ))
3.6 3.6 1.4
peak 649 ppm1 9.875744 ppm2 1.632362 volume 0.502e+07 weight 1.0
REMARK dnoe: 2.898805 position 1.642819 9.210908
ASSI { 650 }
( attr rmsd >= 9.150908 and attr rmsd <= 9.270908 )
(( attr rmsd >= 1.602819 and attr rmsd <= 1.682819 )
and bondedto ( attr rmsd >= 40.27804 and attr rmsd <= 41.87804 ))
3.0 3.0 0.5999999
peak 650 ppm1 9.210908 ppm2 1.642819 volume 12800001 weight 1.0
REMARK dnoe: 3.216375 position 2.850384 7.875801
ASSI { 651 }
( attr rmsd >= 7.815801 and attr rmsd <= 7.935801 )
(( attr rmsd >= 2.810384 and attr rmsd <= 2.890384 )
and bondedto ( attr rmsd >= 40.41322 and attr rmsd <= 42.01322 ))
3.6 3.6 1.4
peak 651 ppm1 7.875801 ppm2 2.850384 volume 6860000 weight 1.0
REMARK dnoe: 3.220299 position 2.497222 7.878271
ASSI { 652 }
( attr rmsd >= 7.818271 and attr rmsd <= 7.938271 )
(( attr rmsd >= 2.457222 and attr rmsd <= 2.537222 )
and bondedto ( attr rmsd >= 40.36466 and attr rmsd <= 41.96466 ))
3.6 3.6 1.4
peak 652 ppm1 7.878271 ppm2 2.497222 volume 6810000 weight 1.0
REMARK dnoe: 2.770357 position 2.849024 6.723079
ASSI { 653 }
( attr rmsd >= 6.663079 and attr rmsd <= 6.783079 )
(( attr rmsd >= 2.809024 and attr rmsd <= 2.889024 )
and bondedto ( attr rmsd >= 40.36816 and attr rmsd <= 41.96816 ))
3.0 3.0 0.5999999
peak 653 ppm1 6.723079 ppm2 2.849024 volume 16800000 weight 1.0
REMARK dnoe: 2.731149 position 2.495089 6.721747
ASSI { 654 }
( attr rmsd >= 6.661747 and attr rmsd <= 6.781747 )
(( attr rmsd >= 2.455089 and attr rmsd <= 2.535089 )
and bondedto ( attr rmsd >= 40.35241 and attr rmsd <= 41.95241 ))
3.0 3.0 0.5999999
peak 654 ppm1 6.721747 ppm2 2.495089 volume 18300000 weight 1.0
REMARK dnoe: 3.088536 position 3.315725 8.587598
ASSI { 655 }
( attr rmsd >= 8.527597 and attr rmsd <= 8.647598 )
(( attr rmsd >= 3.275725 and attr rmsd <= 3.355725 )
and bondedto ( attr rmsd >= 39.19351 and attr rmsd <= 40.79351 ))
3.6 3.6 1.4
peak 655 ppm1 8.587598 ppm2 3.315725 volume 8750000 weight 1.0
REMARK dnoe: 2.996096 position 3.131981 8.587318
ASSI { 656 }
( attr rmsd >= 8.527318 and attr rmsd <= 8.647319 )
(( attr rmsd >= 3.091981 and attr rmsd <= 3.171981 )
and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
3.0 3.0 0.5999999
peak 656 ppm1 8.587318 ppm2 3.131981 volume 10500000 weight 1.0
REMARK dnoe: 2.726206 position 3.318188 6.914831
ASSI { 657 }
( attr rmsd >= 6.854831 and attr rmsd <= 6.974831 )
(( attr rmsd >= 3.278188 and attr rmsd <= 3.358188 )
and bondedto ( attr rmsd >= 39.19351 and attr rmsd <= 40.79351 ))
3.0 3.0 0.5999999
peak 657 ppm1 6.914831 ppm2 3.318188 volume 18500000 weight 1.0
REMARK dnoe: 2.7872 position 3.134419 6.917967
ASSI { 658 }
( attr rmsd >= 6.857967 and attr rmsd <= 6.977967 )
(( attr rmsd >= 3.094419 and attr rmsd <= 3.174419 )
and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
3.0 3.0 0.5999999
peak 658 ppm1 6.917967 ppm2 3.134419 volume 16200000 weight 1.0
REMARK dnoe: 3.31336 position 2.060958 9.232347
ASSI { 659 }
( attr rmsd >= 9.172346 and attr rmsd <= 9.292347 )
(( attr rmsd >= 2.020958 and attr rmsd <= 2.100958 )
and bondedto ( attr rmsd >= 39.49821 and attr rmsd <= 41.09821 ))
3.6 3.6 1.4
peak 659 ppm1 9.232347 ppm2 2.060958 volume 5740000 weight 1.0
REMARK dnoe: 2.986689 position 2.071159 9.039178
ASSI { 660 }
( attr rmsd >= 8.979177 and attr rmsd <= 9.099178 )
(( attr rmsd >= 2.031159 and attr rmsd <= 2.111159 )
and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
3.0 3.0 0.5999999
peak 660 ppm1 9.039178 ppm2 2.071159 volume 10700000 weight 1.0
REMARK dnoe: 2.951012 position 1.683621 9.00775
ASSI { 661 }
( attr rmsd >= 8.947749 and attr rmsd <= 9.06775 )
(( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )
and bondedto ( attr rmsd >= 39.35516 and attr rmsd <= 40.95516 ))
3.0 3.0 0.5999999
peak 661 ppm1 9.00775 ppm2 1.683621 volume 11500000 weight 1.0
REMARK dnoe: 3.384845 position 1.683621 8.623816
ASSI { 662 }
( attr rmsd >= 8.563815 and attr rmsd <= 8.683816 )
(( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )
and bondedto ( attr rmsd >= 39.44747 and attr rmsd <= 41.04747 ))
3.6 3.6 1.4
peak 662 ppm1 8.623816 ppm2 1.683621 volume 5050000 weight 1.0
REMARK dnoe: 3.206327 position 0.8541205 9.236752
ASSI { 663 }
( attr rmsd >= 9.176751 and attr rmsd <= 9.296752 )
(( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )
and bondedto ( attr rmsd >= 39.51659 and attr rmsd <= 41.11659 ))
3.6 3.6 1.4
peak 663 ppm1 9.236752 ppm2 0.8541205 volume 6990000 weight 1.0
REMARK dnoe: 3.121501 position 0.8575203 9.039178
ASSI { 664 }
( attr rmsd >= 8.979177 and attr rmsd <= 9.099178 )
(( attr rmsd >= 0.8175203 and attr rmsd <= 0.8975203 )
and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
3.6 3.6 1.4
peak 664 ppm1 9.039178 ppm2 0.8575203 volume 8210000 weight 1.0
REMARK dnoe: 3.05025 position 0.8541205 6.881555
ASSI { 665 }
( attr rmsd >= 6.821555 and attr rmsd <= 6.941555 )
(( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )
and bondedto ( attr rmsd >= 39.47044 and attr rmsd <= 41.07044 ))
3.6 3.6 1.4
peak 665 ppm1 6.881555 ppm2 0.8541205 volume 9430000 weight 1.0
REMARK dnoe: 3.049711 position 0.8541205 6.576204
ASSI { 666 }
( attr rmsd >= 6.516204 and attr rmsd <= 6.636204 )
(( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )
and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
3.6 3.6 1.4
peak 666 ppm1 6.576204 ppm2 0.8541205 volume 9440000 weight 1.0
REMARK dnoe: 3.153681 position 1.683621 6.85236
ASSI { 667 }
( attr rmsd >= 6.79236 and attr rmsd <= 6.91236 )
(( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )
and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
3.6 3.6 1.4
peak 667 ppm1 6.85236 ppm2 1.683621 volume 7720000 weight 1.0
REMARK dnoe: 2.996096 position 2.067477 6.89279
ASSI { 668 }
( attr rmsd >= 6.83279 and attr rmsd <= 6.95279 )
(( attr rmsd >= 2.027477 and attr rmsd <= 2.107477 )
and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
3.0 3.0 0.5999999
peak 668 ppm1 6.89279 ppm2 2.067477 volume 10500000 weight 1.0
REMARK dnoe: 3.177444 position 2.074558 6.753584
ASSI { 669 }
( attr rmsd >= 6.693584 and attr rmsd <= 6.813584 )
(( attr rmsd >= 2.034558 and attr rmsd <= 2.114558 )
and bondedto ( attr rmsd >= 39.44747 and attr rmsd <= 41.04747 ))
3.6 3.6 1.4
peak 669 ppm1 6.753584 ppm2 2.074558 volume 7380000 weight 1.0
REMARK dnoe: 2.810826 position 2.074558 6.57846
ASSI { 670 }
( attr rmsd >= 6.51846 and attr rmsd <= 6.63846 )
(( attr rmsd >= 2.034558 and attr rmsd <= 2.114558 )
and bondedto ( attr rmsd >= 39.47044 and attr rmsd <= 41.07044 ))
3.0 3.0 0.5999999
peak 670 ppm1 6.57846 ppm2 2.074558 volume 15400000 weight 1.0
REMARK dnoe: 3.202521 position 2.068649 6.434829
ASSI { 671 }
( attr rmsd >= 6.374829 and attr rmsd <= 6.494829 )
(( attr rmsd >= 2.028649 and attr rmsd <= 2.108649 )
and bondedto ( attr rmsd >= 39.53956 and attr rmsd <= 41.13956 ))
3.6 3.6 1.4
peak 671 ppm1 6.434829 ppm2 2.068649 volume 7040000 weight 1.0
REMARK dnoe: 3.813331 position 0.858341 6.422928
ASSI { 672 }
( attr rmsd >= 6.362928 and attr rmsd <= 6.482928 )
(( attr rmsd >= 0.818341 and attr rmsd <= 0.898341 )
and bondedto ( attr rmsd >= 39.56275 and attr rmsd <= 41.16275 ))
4.2 4.2 1.8
peak 672 ppm1 6.422928 ppm2 0.858341 volume 2470000 weight 1.0
REMARK dnoe: 2.741228 position 3.308526 4.940086
ASSI { 673 }
( attr rmsd >= 4.880086 and attr rmsd <= 5.000086 )
(( attr rmsd >= 3.268526 and attr rmsd <= 3.348526 )
and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
3.0 3.0 0.5999999
peak 673 ppm1 4.940086 ppm2 3.308526 volume 17900000 weight 1.0
REMARK dnoe: 2.767618 position 3.134607 4.957423
ASSI { 674 }
( attr rmsd >= 4.897423 and attr rmsd <= 5.017423 )
(( attr rmsd >= 3.094607 and attr rmsd <= 3.174607 )
and bondedto ( attr rmsd >= 39.14735 and attr rmsd <= 40.74735 ))
3.0 3.0 0.5999999
peak 674 ppm1 4.957423 ppm2 3.134607 volume 16900000 weight 1.0
REMARK dnoe: 3.530799 position 1.681862 4.257614
ASSI { 676 }
( attr rmsd >= 4.197614 and attr rmsd <= 4.317614 )
(( attr rmsd >= 1.641862 and attr rmsd <= 1.721862 )
and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
3.6 3.6 1.4
peak 676 ppm1 4.257614 ppm2 1.681862 volume 3920000 weight 1.0
REMARK dnoe: 3.112717 position 2.069259 4.423973
ASSI { 677 }
( attr rmsd >= 4.363973 and attr rmsd <= 4.483973 )
(( attr rmsd >= 2.029259 and attr rmsd <= 2.109259 )
and bondedto ( attr rmsd >= 39.40131 and attr rmsd <= 41.00131 ))
3.6 3.6 1.4
peak 677 ppm1 4.423973 ppm2 2.069259 volume 8350000 weight 1.0
REMARK dnoe: 3.429266 position 1.667276 3.801242
ASSI { 678 }
( attr rmsd >= 3.741242 and attr rmsd <= 3.861242 )
(( attr rmsd >= 1.627276 and attr rmsd <= 1.707276 )
and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
3.6 3.6 1.4
peak 678 ppm1 3.801242 ppm2 1.667276 volume 4670000 weight 1.0
REMARK dnoe: 3.338043 position 0.8549414 4.443716
ASSI { 679 }
( attr rmsd >= 4.383716 and attr rmsd <= 4.503716 )
(( attr rmsd >= 0.8149414 and attr rmsd <= 0.8949414 )
and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
3.6 3.6 1.4
peak 679 ppm1 4.443716 ppm2 0.8549414 volume 5490000 weight 1.0
REMARK dnoe: 3.355589 position 0.8507907 4.003069
ASSI { 680 }
( attr rmsd >= 3.943069 and attr rmsd <= 4.063069 )
(( attr rmsd >= 0.8107907 and attr rmsd <= 0.8907907 )
and bondedto ( attr rmsd >= 39.37812 and attr rmsd <= 40.97812 ))
3.6 3.6 1.4
peak 680 ppm1 4.003069 ppm2 0.8507907 volume 5320000 weight 1.0
REMARK dnoe: 2.505518 position 3.312372 3.132711
ASSI { 681 }
( attr rmsd >= 3.072711 and attr rmsd <= 3.192711 )
(( attr rmsd >= 3.272372 and attr rmsd <= 3.352372 )
and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
3.0 3.0 0.5999999
peak 681 ppm1 3.132711 ppm2 3.312372 volume 30700002 weight 1.0
REMARK dnoe: 2.437638 position 3.136014 3.304227
ASSI { 682 }
( attr rmsd >= 3.244227 and attr rmsd <= 3.364227 )
(( attr rmsd >= 3.096014 and attr rmsd <= 3.176014 )
and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
2.5 2.5 0.2
peak 682 ppm1 3.304227 ppm2 3.136014 volume 36200000 weight 1.0
REMARK dnoe: 2.707039 position 1.683058 2.630991
ASSI { 683 }
( attr rmsd >= 2.570991 and attr rmsd <= 2.690991 )
(( attr rmsd >= 1.643058 and attr rmsd <= 1.723058 )
and bondedto ( attr rmsd >= 39.41334 and attr rmsd <= 41.01334 ))
3.0 3.0 0.5999999
peak 683 ppm1 2.630991 ppm2 1.683058 volume 19300000 weight 1.0
REMARK dnoe: 2.636752 position 0.8536282 2.059797
ASSI { 684 }
( attr rmsd >= 1.999797 and attr rmsd <= 2.119797 )
(( attr rmsd >= 0.8136282 and attr rmsd <= 0.8936282 )
and bondedto ( attr rmsd >= 39.45753 and attr rmsd <= 41.05753 ))
3.0 3.0 0.5999999
peak 684 ppm1 2.059797 ppm2 0.8536282 volume 22600000 weight 1.0
REMARK dnoe: 2.515169 position 2.069212 0.8426063
ASSI { 685 }
( attr rmsd >= 0.7826063 and attr rmsd <= 0.9026063 )
(( attr rmsd >= 2.029212 and attr rmsd <= 2.109212 )
and bondedto ( attr rmsd >= 39.39475 and attr rmsd <= 40.99475 ))
3.0 3.0 0.5999999
peak 685 ppm1 0.8426063 ppm2 2.069212 volume 30000002 weight 1.0
REMARK dnoe: 2.671343 position 1.680431 0.9896965
ASSI { 686 }
( attr rmsd >= 0.9296965 and attr rmsd <= 1.049696 )
(( attr rmsd >= 1.640431 and attr rmsd <= 1.720431 )
and bondedto ( attr rmsd >= 39.28582 and attr rmsd <= 40.88582 ))
3.0 3.0 0.5999999
peak 686 ppm1 0.9896965 ppm2 1.680431 volume 20900000 weight 1.0
REMARK dnoe: 2.597992 position 1.680431 0.2705312
ASSI { 688 }
( attr rmsd >= 0.2105312 and attr rmsd <= 0.3305312 )
(( attr rmsd >= 1.640431 and attr rmsd <= 1.720431 )
and bondedto ( attr rmsd >= 39.40131 and attr rmsd <= 41.00131 ))
3.0 3.0 0.5999999
peak 688 ppm1 0.2705312 ppm2 1.680431 volume 24700000 weight 1.0
REMARK dnoe: 2.411697 position 1.683058 0.5941629
ASSI { 689 }
( attr rmsd >= 0.5341629 and attr rmsd <= 0.6541629 )
(( attr rmsd >= 1.643058 and attr rmsd <= 1.723058 )
and bondedto ( attr rmsd >= 39.33197 and attr rmsd <= 40.93197 ))
2.5 2.5 0.2
peak 689 ppm1 0.5941629 ppm2 1.683058 volume 38600000 weight 1.0
REMARK dnoe: 2.91812 position 1.903077 9.870072
ASSI { 690 }
( attr rmsd >= 9.810072 and attr rmsd <= 9.930073 )
(( attr rmsd >= 1.863077 and attr rmsd <= 1.943077 )
and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
3.0 3.0 0.5999999
peak 690 ppm1 9.870072 ppm2 1.903077 volume 12300000 weight 1.0
REMARK dnoe: 3.175297 position 1.906548 9.203131
ASSI { 691 }
( attr rmsd >= 9.14313 and attr rmsd <= 9.263131 )
(( attr rmsd >= 1.866548 and attr rmsd <= 1.946548 )
and bondedto ( attr rmsd >= 38.75515 and attr rmsd <= 40.35515 ))
3.6 3.6 1.4
peak 691 ppm1 9.203131 ppm2 1.906548 volume 7410000 weight 1.0
REMARK dnoe: 2.421199 position 2.719189 4.53392
ASSI { 692 }
( attr rmsd >= 4.47392 and attr rmsd <= 4.59392 )
(( attr rmsd >= 2.679189 and attr rmsd <= 2.759189 )
and bondedto ( attr rmsd >= 38.40909 and attr rmsd <= 40.00909 ))
2.5 2.5 0.2
peak 692 ppm1 4.53392 ppm2 2.719189 volume 37700000 weight 1.0
REMARK dnoe: 2.577532 position 1.898364 1.642395
ASSI { 693 }
( attr rmsd >= 1.582395 and attr rmsd <= 1.702395 )
(( attr rmsd >= 1.858364 and attr rmsd <= 1.938364 )
and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
3.0 3.0 0.5999999
peak 693 ppm1 1.642395 ppm2 1.898364 volume 25900000 weight 1.0
REMARK dnoe: 2.743789 position 1.89942 1.37292
ASSI { 694 }
( attr rmsd >= 1.31292 and attr rmsd <= 1.43292 )
(( attr rmsd >= 1.85942 and attr rmsd <= 1.93942 )
and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
3.0 3.0 0.5999999
peak 694 ppm1 1.37292 ppm2 1.89942 volume 17800000 weight 1.0
REMARK dnoe: 2.855832 position 1.897567 1.004669
ASSI { 695 }
( attr rmsd >= 0.9446689 and attr rmsd <= 1.064669 )
(( attr rmsd >= 1.857567 and attr rmsd <= 1.937567 )
and bondedto ( attr rmsd >= 38.70899 and attr rmsd <= 40.30899 ))
3.0 3.0 0.5999999
peak 695 ppm1 1.004669 ppm2 1.897567 volume 14000000 weight 1.0
REMARK dnoe: 2.217365 position 1.89881 0.6640453
ASSI { 696 }
( attr rmsd >= 0.6040453 and attr rmsd <= 0.7240453 )
(( attr rmsd >= 1.85881 and attr rmsd <= 1.93881 )
and bondedto ( attr rmsd >= 38.71883 and attr rmsd <= 40.31883 ))
2.5 2.5 0.2
peak 696 ppm1 0.6640453 ppm2 1.89881 volume 63900000 weight 1.0
REMARK dnoe: 3.068413 position 1.630345 7.942052
ASSI { 697 }
( attr rmsd >= 7.882052 and attr rmsd <= 8.002052 )
(( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )
and bondedto ( attr rmsd >= 37.59668 and attr rmsd <= 39.19668 ))
3.6 3.6 1.4
peak 697 ppm1 7.942052 ppm2 1.630345 volume 9100000 weight 1.0
REMARK dnoe: 2.842455 position 1.208807 8.056961
ASSI { 698 }
( attr rmsd >= 7.996961 and attr rmsd <= 8.116961 )
(( attr rmsd >= 1.168807 and attr rmsd <= 1.248807 )
and bondedto ( attr rmsd >= 37.62008 and attr rmsd <= 39.22008 ))
3.0 3.0 0.5999999
peak 698 ppm1 8.056961 ppm2 1.208807 volume 14399999 weight 1.0
REMARK dnoe: 3.507336 position 1.630345 4.55407
ASSI { 700 }
( attr rmsd >= 4.49407 and attr rmsd <= 4.61407 )
(( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )
and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
3.6 3.6 1.4
peak 700 ppm1 4.55407 ppm2 1.630345 volume 4080000 weight 1.0
REMARK dnoe: 3.221087 position 1.630345 3.997398
ASSI { 701 }
( attr rmsd >= 3.937398 and attr rmsd <= 4.057398 )
(( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )
and bondedto ( attr rmsd >= 37.62446 and attr rmsd <= 39.22446 ))
3.6 3.6 1.4
peak 701 ppm1 3.997398 ppm2 1.630345 volume 6800000 weight 1.0
REMARK dnoe: 3.205563 position 1.636113 3.649469
ASSI { 702 }
( attr rmsd >= 3.589469 and attr rmsd <= 3.709469 )
(( attr rmsd >= 1.596113 and attr rmsd <= 1.676113 )
and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
3.6 3.6 1.4
peak 702 ppm1 3.649469 ppm2 1.636113 volume 7000000 weight 1.0
REMARK dnoe: 3.338043 position 1.216192 3.734776
ASSI { 703 }
( attr rmsd >= 3.674776 and attr rmsd <= 3.794776 )
(( attr rmsd >= 1.176192 and attr rmsd <= 1.256192 )
and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
3.6 3.6 1.4
peak 703 ppm1 3.734776 ppm2 1.216192 volume 5490000 weight 1.0
REMARK dnoe: 2.538249 position 1.628891 1.275197
ASSI { 704 }
( attr rmsd >= 1.215197 and attr rmsd <= 1.335197 )
(( attr rmsd >= 1.588891 and attr rmsd <= 1.668891 )
and bondedto ( attr rmsd >= 37.53237 and attr rmsd <= 39.13237 ))
3.0 3.0 0.5999999
peak 704 ppm1 1.275197 ppm2 1.628891 volume 28400000 weight 1.0
REMARK dnoe: 2.634812 position 1.627812 0.9721882
ASSI { 705 }
( attr rmsd >= 0.9121882 and attr rmsd <= 1.032188 )
(( attr rmsd >= 1.587812 and attr rmsd <= 1.667812 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
3.0 3.0 0.5999999
peak 705 ppm1 0.9721882 ppm2 1.627812 volume 22700000 weight 1.0
REMARK dnoe: 2.399423 position 1.629078 0.6669025
ASSI { 706 }
( attr rmsd >= 0.6069025 and attr rmsd <= 0.7269025 )
(( attr rmsd >= 1.589078 and attr rmsd <= 1.669078 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
2.5 2.5 0.2
peak 706 ppm1 0.6669025 ppm2 1.629078 volume 39800000 weight 1.0
REMARK dnoe: 2.492169 position 1.628305 0.3324437
ASSI { 707 }
( attr rmsd >= 0.2724437 and attr rmsd <= 0.3924437 )
(( attr rmsd >= 1.588305 and attr rmsd <= 1.668305 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
2.5 2.5 0.2
peak 707 ppm1 0.3324437 ppm2 1.628305 volume 31700000 weight 1.0
REMARK dnoe: 2.608662 position 1.210893 1.03279
ASSI { 708 }
( attr rmsd >= 0.9727899 and attr rmsd <= 1.09279 )
(( attr rmsd >= 1.170893 and attr rmsd <= 1.250893 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
3.0 3.0 0.5999999
peak 708 ppm1 1.03279 ppm2 1.210893 volume 24100000 weight 1.0
REMARK dnoe: 2.682145 position 1.209533 0.4199839
ASSI { 709 }
( attr rmsd >= 0.3599839 and attr rmsd <= 0.4799839 )
(( attr rmsd >= 1.169533 and attr rmsd <= 1.249533 )
and bondedto ( attr rmsd >= 37.64764 and attr rmsd <= 39.24764 ))
3.0 3.0 0.5999999
peak 709 ppm1 0.4199839 ppm2 1.209533 volume 20400000 weight 1.0
REMARK dnoe: 2.58762 position 1.210096 0.1663423
ASSI { 710 }
( attr rmsd >= 0.1063423 and attr rmsd <= 0.2263423 )
(( attr rmsd >= 1.170096 and attr rmsd <= 1.250096 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
3.0 3.0 0.5999999
peak 710 ppm1 0.1663423 ppm2 1.210096 volume 25300000 weight 1.0
REMARK dnoe: 2.910286 position 1.210096 -0.0379124
ASSI { 711 }
( attr rmsd >= -0.0979124 and attr rmsd <= 0.0220876 )
(( attr rmsd >= 1.170096 and attr rmsd <= 1.250096 )
and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
3.0 3.0 0.5999999
peak 711 ppm1 -0.0379124 ppm2 1.210096 volume 12500000 weight 1.0
REMARK dnoe: 2.773115 position 1.723577 8.351786
ASSI { 712 }
( attr rmsd >= 8.291785 and attr rmsd <= 8.411786 )
(( attr rmsd >= 1.683577 and attr rmsd <= 1.763577 )
and bondedto ( attr rmsd >= 37.07082 and attr rmsd <= 38.67082 ))
3.0 3.0 0.5999999
peak 712 ppm1 8.351786 ppm2 1.723577 volume 16700000 weight 1.0
REMARK dnoe: 3.349323 position 1.722405 7.693652
ASSI { 713 }
( attr rmsd >= 7.633652 and attr rmsd <= 7.753652 )
(( attr rmsd >= 1.682405 and attr rmsd <= 1.762405 )
and bondedto ( attr rmsd >= 37.02467 and attr rmsd <= 38.62467 ))
3.6 3.6 1.4
peak 713 ppm1 7.693652 ppm2 1.722405 volume 5380000 weight 1.0
REMARK dnoe: 3.277258 position 1.725219 4.255208
ASSI { 714 }
( attr rmsd >= 4.195208 and attr rmsd <= 4.315208 )
(( attr rmsd >= 1.685219 and attr rmsd <= 1.765219 )
and bondedto ( attr rmsd >= 37.11697 and attr rmsd <= 38.71697 ))
3.6 3.6 1.4
peak 714 ppm1 4.255208 ppm2 1.725219 volume 6130000 weight 1.0
REMARK dnoe: 2.986689 position 1.725195 4.731407
ASSI { 715 }
( attr rmsd >= 4.671407 and attr rmsd <= 4.791407 )
(( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )
and bondedto ( attr rmsd >= 37.09379 and attr rmsd <= 38.69379 ))
3.0 3.0 0.5999999
peak 715 ppm1 4.731407 ppm2 1.725195 volume 10700000 weight 1.0
REMARK dnoe: 1.959912 position 1.96395 1.770559
ASSI { 716 }
( attr rmsd >= 1.710559 and attr rmsd <= 1.830559 )
(( attr rmsd >= 1.92395 and attr rmsd <= 2.00395 )
and bondedto ( attr rmsd >= 36.54015 and attr rmsd <= 38.14015 ))
2.5 2.5 0.2
peak 716 ppm1 1.770559 ppm2 1.96395 volume 134000000 weight 1.0
REMARK dnoe: 2.511001 position 1.728384 0.623487
ASSI { 717 }
( attr rmsd >= 0.563487 and attr rmsd <= 0.683487 )
(( attr rmsd >= 1.688384 and attr rmsd <= 1.768384 )
and bondedto ( attr rmsd >= 37.05944 and attr rmsd <= 38.65944 ))
3.0 3.0 0.5999999
peak 717 ppm1 0.623487 ppm2 1.728384 volume 30300000 weight 1.0
REMARK dnoe: 2.323251 position 1.728384 0.7559683
ASSI { 718 }
( attr rmsd >= 0.6959683 and attr rmsd <= 0.8159683 )
(( attr rmsd >= 1.688384 and attr rmsd <= 1.768384 )
and bondedto ( attr rmsd >= 37.07038 and attr rmsd <= 38.67038 ))
2.5 2.5 0.2
peak 718 ppm1 0.7559683 ppm2 1.728384 volume 48300000 weight 1.0
REMARK dnoe: 2.716504 position 1.725195 0.8788042
ASSI { 719 }
( attr rmsd >= 0.8188042 and attr rmsd <= 0.9388042 )
(( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )
and bondedto ( attr rmsd >= 37.02467 and attr rmsd <= 38.62467 ))
3.0 3.0 0.5999999
peak 719 ppm1 0.8788042 ppm2 1.725195 volume 18900000 weight 1.0
REMARK dnoe: 2.704708 position 1.725195 1.089933
ASSI { 720 }
( attr rmsd >= 1.029933 and attr rmsd <= 1.149933 )
(( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )
and bondedto ( attr rmsd >= 37.11697 and attr rmsd <= 38.71697 ))
3.0 3.0 0.5999999
peak 720 ppm1 1.089933 ppm2 1.725195 volume 19400000 weight 1.0
REMARK dnoe: 2.644611 position 1.725195 1.265293
ASSI { 721 }
( attr rmsd >= 1.205293 and attr rmsd <= 1.325293 )
(( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )
and bondedto ( attr rmsd >= 37.07519 and attr rmsd <= 38.67519 ))
3.0 3.0 0.5999999
peak 721 ppm1 1.265293 ppm2 1.725195 volume 22200000 weight 1.0
REMARK dnoe: 2.324054 position 1.722006 1.532448
ASSI { 722 }
( attr rmsd >= 1.472448 and attr rmsd <= 1.592448 )
(( attr rmsd >= 1.682006 and attr rmsd <= 1.762006 )
and bondedto ( attr rmsd >= 37.00148 and attr rmsd <= 38.60148 ))
2.5 2.5 0.2
peak 722 ppm1 1.532448 ppm2 1.722006 volume 48200000 weight 1.0
REMARK dnoe: 3.139606 position 1.954641 9.410328
ASSI { 723 }
( attr rmsd >= 9.350327 and attr rmsd <= 9.470328 )
(( attr rmsd >= 1.914641 and attr rmsd <= 1.994641 )
and bondedto ( attr rmsd >= 36.60292 and attr rmsd <= 38.20292 ))
3.6 3.6 1.4
peak 723 ppm1 9.410328 ppm2 1.954641 volume 7930000 weight 1.0
REMARK dnoe: 3.155728 position 1.954641 7.839173
ASSI { 724 }
( attr rmsd >= 7.779173 and attr rmsd <= 7.899173 )
(( attr rmsd >= 1.914641 and attr rmsd <= 1.994641 )
and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
3.6 3.6 1.4
peak 724 ppm1 7.839173 ppm2 1.954641 volume 7690000 weight 1.0
REMARK dnoe: 3.256348 position 2.897962 7.51131
ASSI { 725 }
( attr rmsd >= 7.45131 and attr rmsd <= 7.57131 )
(( attr rmsd >= 2.857962 and attr rmsd <= 2.937962 )
and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
3.6 3.6 1.4
peak 725 ppm1 7.51131 ppm2 2.897962 volume 6370000 weight 1.0
REMARK dnoe: 2.762197 position 2.977172 7.044885
ASSI { 726 }
( attr rmsd >= 6.984885 and attr rmsd <= 7.104885 )
(( attr rmsd >= 2.937172 and attr rmsd <= 3.017172 )
and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
3.0 3.0 0.5999999
peak 726 ppm1 7.044885 ppm2 2.977172 volume 17100000 weight 1.0
REMARK dnoe: 2.849088 position 3.202702 7.044885
ASSI { 727 }
( attr rmsd >= 6.984885 and attr rmsd <= 7.104885 )
(( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )
and bondedto ( attr rmsd >= 36.15122 and attr rmsd <= 37.75122 ))
3.0 3.0 0.5999999
peak 727 ppm1 7.044885 ppm2 3.202702 volume 14200000 weight 1.0
REMARK dnoe: 3.03437 position 2.916111 6.83135
ASSI { 728 }
( attr rmsd >= 6.77135 and attr rmsd <= 6.89135 )
(( attr rmsd >= 2.876111 and attr rmsd <= 2.956111 )
and bondedto ( attr rmsd >= 36.46752 and attr rmsd <= 38.06752 ))
3.6 3.6 1.4
peak 728 ppm1 6.83135 ppm2 2.916111 volume 9730000 weight 1.0
REMARK dnoe: 3.527806 position 1.98489 6.124989
ASSI { 729 }
( attr rmsd >= 6.064989 and attr rmsd <= 6.184989 )
(( attr rmsd >= 1.94489 and attr rmsd <= 2.02489 )
and bondedto ( attr rmsd >= 36.53533 and attr rmsd <= 38.13533 ))
3.6 3.6 1.4
peak 729 ppm1 6.124989 ppm2 1.98489 volume 3940000 weight 1.0
REMARK dnoe: 3.02869 position 1.966741 5.634268
ASSI { 730 }
( attr rmsd >= 5.574268 and attr rmsd <= 5.694268 )
(( attr rmsd >= 1.926741 and attr rmsd <= 2.006741 )
and bondedto ( attr rmsd >= 36.55786 and attr rmsd <= 38.15786 ))
3.6 3.6 1.4
peak 730 ppm1 5.634268 ppm2 1.966741 volume 9840000 weight 1.0
REMARK dnoe: 2.810826 position 3.202702 4.485176
ASSI { 733 }
( attr rmsd >= 4.425176 and attr rmsd <= 4.545176 )
(( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )
and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
3.0 3.0 0.5999999
peak 733 ppm1 4.485176 ppm2 3.202702 volume 15400000 weight 1.0
REMARK dnoe: 2.339684 position 2.904011 4.365004
ASSI { 734 }
( attr rmsd >= 4.305004 and attr rmsd <= 4.425004 )
(( attr rmsd >= 2.864011 and attr rmsd <= 2.944011 )
and bondedto ( attr rmsd >= 36.46490 and attr rmsd <= 38.06490 ))
2.5 2.5 0.2
peak 734 ppm1 4.365004 ppm2 2.904011 volume 46300000 weight 1.0
REMARK dnoe: 2.733645 position 2.979587 4.46842
ASSI { 735 }
( attr rmsd >= 4.40842 and attr rmsd <= 4.52842 )
(( attr rmsd >= 2.939587 and attr rmsd <= 3.019587 )
and bondedto ( attr rmsd >= 36.19650 and attr rmsd <= 37.79650 ))
3.0 3.0 0.5999999
peak 735 ppm1 4.46842 ppm2 2.979587 volume 18200000 weight 1.0
REMARK dnoe: 2.133199 position 3.202702 2.960767
ASSI { 736 }
( attr rmsd >= 2.900767 and attr rmsd <= 3.020767 )
(( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )
and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
2.5 2.5 0.2
peak 736 ppm1 2.960767 ppm2 3.202702 volume 80600000 weight 1.0
REMARK dnoe: 2.086681 position 2.977172 3.195461
ASSI { 737 }
( attr rmsd >= 3.135461 and attr rmsd <= 3.255461 )
(( attr rmsd >= 2.937172 and attr rmsd <= 3.017172 )
and bondedto ( attr rmsd >= 36.12869 and attr rmsd <= 37.72869 ))
2.5 2.5 0.2
peak 737 ppm1 3.195461 ppm2 2.977172 volume 92000000 weight 1.0
REMARK dnoe: 2.707039 position 1.963716 0.6919508
ASSI { 739 }
( attr rmsd >= 0.6319508 and attr rmsd <= 0.7519508 )
(( attr rmsd >= 1.923716 and attr rmsd <= 2.003716 )
and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
3.0 3.0 0.5999999
peak 739 ppm1 0.6919508 ppm2 1.963716 volume 19300000 weight 1.0
REMARK dnoe: 3.511652 position 0.8178217 1.590128
ASSI { 740 }
( attr rmsd >= 1.530128 and attr rmsd <= 1.650128 )
(( attr rmsd >= 0.7778217 and attr rmsd <= 0.8578217 )
and bondedto ( attr rmsd >= 36.59658 and attr rmsd <= 38.19658 ))
3.6 3.6 1.4
peak 740 ppm1 1.590128 ppm2 0.8178217 volume 4050000 weight 1.0
REMARK dnoe: 3.177444 position 1.606943 0.8132615
ASSI { 741 }
( attr rmsd >= 0.7532615 and attr rmsd <= 0.8732615 )
(( attr rmsd >= 1.566943 and attr rmsd <= 1.646943 )
and bondedto ( attr rmsd >= 36.59264 and attr rmsd <= 38.19264 ))
3.6 3.6 1.4
peak 741 ppm1 0.8132615 ppm2 1.606943 volume 7380000 weight 1.0
REMARK dnoe: 3.357696 position 3.782965 8.009099
ASSI { 742 }
( attr rmsd >= 7.949099 and attr rmsd <= 8.069099 )
(( attr rmsd >= 3.742965 and attr rmsd <= 3.822965 )
and bondedto ( attr rmsd >= 64.56831 and attr rmsd <= 66.16831 ))
3.6 3.6 1.4
peak 742 ppm1 8.009099 ppm2 3.782965 volume 0.53e+07 weight 1.0
REMARK dnoe: 3.930455 position 3.525967 8.009228
ASSI { 743 }
( attr rmsd >= 7.949228 and attr rmsd <= 8.069228 )
(( attr rmsd >= 3.485967 and attr rmsd <= 3.565967 )
and bondedto ( attr rmsd >= 64.58690 and attr rmsd <= 66.18690 ))
4.2 4.2 1.8
peak 743 ppm1 8.009228 ppm2 3.525967 volume 2060000 weight 1.0
REMARK dnoe: 3.591315 position 3.542757 7.583663
ASSI { 744 }
( attr rmsd >= 7.523663 and attr rmsd <= 7.643663 )
(( attr rmsd >= 3.502757 and attr rmsd <= 3.582757 )
and bondedto ( attr rmsd >= 63.97629 and attr rmsd <= 65.57629 ))
3.6 3.6 1.4
peak 744 ppm1 7.583663 ppm2 3.542757 volume 3540000 weight 1.0
REMARK dnoe: 3.581269 position 3.783669 7.606412
ASSI { 745 }
( attr rmsd >= 7.546412 and attr rmsd <= 7.666412 )
(( attr rmsd >= 3.743669 and attr rmsd <= 3.823669 )
and bondedto ( attr rmsd >= 63.95354 and attr rmsd <= 65.55354 ))
3.6 3.6 1.4
peak 745 ppm1 7.606412 ppm2 3.783669 volume 0.36e+07 weight 1.0
REMARK dnoe: 2.429869 position 3.78606 4.399139
ASSI { 746 }
( attr rmsd >= 4.339139 and attr rmsd <= 4.459139 )
(( attr rmsd >= 3.74606 and attr rmsd <= 3.82606 )
and bondedto ( attr rmsd >= 64.57442 and attr rmsd <= 66.17443 ))
2.5 2.5 0.2
peak 746 ppm1 4.399139 ppm2 3.78606 volume 36900000 weight 1.0
REMARK dnoe: 2.754202 position 3.528312 4.399548
ASSI { 747 }
( attr rmsd >= 4.339548 and attr rmsd <= 4.459548 )
(( attr rmsd >= 3.488312 and attr rmsd <= 3.568312 )
and bondedto ( attr rmsd >= 64.57442 and attr rmsd <= 66.17443 ))
3.0 3.0 0.5999999
peak 747 ppm1 4.399548 ppm2 3.528312 volume 17400000 weight 1.0
REMARK dnoe: 2.193427 position 3.789648 3.522981
ASSI { 748 }
( attr rmsd >= 3.462981 and attr rmsd <= 3.582981 )
(( attr rmsd >= 3.749648 and attr rmsd <= 3.829648 )
and bondedto ( attr rmsd >= 64.54731 and attr rmsd <= 66.14731 ))
2.5 2.5 0.2
peak 748 ppm1 3.522981 ppm2 3.789648 volume 68200000 weight 1.0
REMARK dnoe: 2.202675 position 3.529484 3.784916
ASSI { 749 }
( attr rmsd >= 3.724916 and attr rmsd <= 3.844916 )
(( attr rmsd >= 3.489484 and attr rmsd <= 3.569484 )
and bondedto ( attr rmsd >= 64.54731 and attr rmsd <= 66.14731 ))
2.5 2.5 0.2
peak 749 ppm1 3.784916 ppm2 3.529484 volume 66500004 weight 1.0
REMARK dnoe: 2.938374 position 3.529484 3.940964
ASSI { 751 }
( attr rmsd >= 3.880964 and attr rmsd <= 4.000964 )
(( attr rmsd >= 3.489484 and attr rmsd <= 3.569484 )
and bondedto ( attr rmsd >= 64.06728 and attr rmsd <= 65.66728 ))
3.0 3.0 0.5999999
peak 751 ppm1 3.940964 ppm2 3.529484 volume 11800000 weight 1.0
REMARK dnoe: 3.030232 position 3.533001 1.923319
ASSI { 753 }
( attr rmsd >= 1.863319 and attr rmsd <= 1.983319 )
(( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )
and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
3.6 3.6 1.4
peak 753 ppm1 1.923319 ppm2 3.533001 volume 9810000 weight 1.0
REMARK dnoe: 2.964042 position 3.786131 1.578249
ASSI { 754 }
( attr rmsd >= 1.518249 and attr rmsd <= 1.638249 )
(( attr rmsd >= 3.746131 and attr rmsd <= 3.826131 )
and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
3.0 3.0 0.5999999
peak 754 ppm1 1.578249 ppm2 3.786131 volume 11200000 weight 1.0
REMARK dnoe: 3.0735 position 3.533001 1.567357
ASSI { 755 }
( attr rmsd >= 1.507357 and attr rmsd <= 1.627357 )
(( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )
and bondedto ( attr rmsd >= 64.54599 and attr rmsd <= 66.14599 ))
3.6 3.6 1.4
peak 755 ppm1 1.567357 ppm2 3.533001 volume 9010000 weight 1.0
REMARK dnoe: 2.869663 position 3.786131 0.7738416
ASSI { 756 }
( attr rmsd >= 0.7138416 and attr rmsd <= 0.8338416 )
(( attr rmsd >= 3.746131 and attr rmsd <= 3.826131 )
and bondedto ( attr rmsd >= 64.02200 and attr rmsd <= 65.62201 ))
3.0 3.0 0.5999999
peak 756 ppm1 0.7738416 ppm2 3.786131 volume 13600001 weight 1.0
REMARK dnoe: 3.124681 position 3.533001 0.7694373
ASSI { 757 }
( attr rmsd >= 0.7094373 and attr rmsd <= 0.8294373 )
(( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )
and bondedto ( attr rmsd >= 64.02200 and attr rmsd <= 65.62201 ))
3.6 3.6 1.4
peak 757 ppm1 0.7694373 ppm2 3.533001 volume 8160000 weight 1.0
REMARK dnoe: 2.829504 position 3.78177 1.923319
ASSI { 758 }
( attr rmsd >= 1.863319 and attr rmsd <= 1.983319 )
(( attr rmsd >= 3.74177 and attr rmsd <= 3.82177 )
and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
3.0 3.0 0.5999999
peak 758 ppm1 1.923319 ppm2 3.78177 volume 14800000 weight 1.0
REMARK dnoe: 3.207092 position 2.213211 9.242186
ASSI { 759 }
( attr rmsd >= 9.182185 and attr rmsd <= 9.302186 )
(( attr rmsd >= 2.173211 and attr rmsd <= 2.253211 )
and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
3.6 3.6 1.4
peak 759 ppm1 9.242186 ppm2 2.213211 volume 6980000 weight 1.0
REMARK dnoe: 2.697799 position 2.206153 9.039221
ASSI { 760 }
( attr rmsd >= 8.97922 and attr rmsd <= 9.099221 )
(( attr rmsd >= 2.166153 and attr rmsd <= 2.246153 )
and bondedto ( attr rmsd >= 35.67699 and attr rmsd <= 37.27699 ))
3.0 3.0 0.5999999
peak 760 ppm1 9.039221 ppm2 2.206153 volume 19700000 weight 1.0
REMARK dnoe: 3.057863 position 2.193702 8.767126
ASSI { 761 }
( attr rmsd >= 8.707126 and attr rmsd <= 8.827127 )
(( attr rmsd >= 2.153702 and attr rmsd <= 2.233702 )
and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
3.6 3.6 1.4
peak 761 ppm1 8.767126 ppm2 2.193702 volume 9290000 weight 1.0
REMARK dnoe: 3.523349 position 2.196938 7.271545
ASSI { 762 }
( attr rmsd >= 7.211545 and attr rmsd <= 7.331545 )
(( attr rmsd >= 2.156938 and attr rmsd <= 2.236938 )
and bondedto ( attr rmsd >= 35.69952 and attr rmsd <= 37.29952 ))
3.6 3.6 1.4
peak 762 ppm1 7.271545 ppm2 2.196938 volume 0.397e+07 weight 1.0
REMARK dnoe: 2.638701 position 2.196938 6.924047
ASSI { 763 }
( attr rmsd >= 6.864047 and attr rmsd <= 6.984047 )
(( attr rmsd >= 2.156938 and attr rmsd <= 2.236938 )
and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
3.0 3.0 0.5999999
peak 763 ppm1 6.924047 ppm2 2.196938 volume 22500000 weight 1.0
REMARK dnoe: 3.549142 position 2.213211 6.602928
ASSI { 764 }
( attr rmsd >= 6.542928 and attr rmsd <= 6.662928 )
(( attr rmsd >= 2.173211 and attr rmsd <= 2.253211 )
and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
3.6 3.6 1.4
peak 764 ppm1 6.602928 ppm2 2.213211 volume 3800000 weight 1.0
REMARK dnoe: 2.866161 position 2.163265 4.567883
ASSI { 766 }
( attr rmsd >= 4.507883 and attr rmsd <= 4.627883 )
(( attr rmsd >= 2.123265 and attr rmsd <= 2.203265 )
and bondedto ( attr rmsd >= 35.56411 and attr rmsd <= 37.16411 ))
3.0 3.0 0.5999999
peak 766 ppm1 4.567883 ppm2 2.163265 volume 13699999 weight 1.0
REMARK dnoe: 3.081532 position 2.206153 5.17723
ASSI { 767 }
( attr rmsd >= 5.11723 and attr rmsd <= 5.23723 )
(( attr rmsd >= 2.166153 and attr rmsd <= 2.246153 )
and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
3.6 3.6 1.4
peak 767 ppm1 5.17723 ppm2 2.206153 volume 8870000 weight 1.0
REMARK dnoe: 2.106609 position 2.190348 1.868668
ASSI { 768 }
( attr rmsd >= 1.808668 and attr rmsd <= 1.928668 )
(( attr rmsd >= 2.150348 and attr rmsd <= 2.230348 )
and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
2.5 2.5 0.2
peak 768 ppm1 1.868668 ppm2 2.190348 volume 86900000 weight 1.0
REMARK dnoe: 2.926104 position 2.209201 1.477109
ASSI { 769 }
( attr rmsd >= 1.417109 and attr rmsd <= 1.537109 )
(( attr rmsd >= 2.169201 and attr rmsd <= 2.249201 )
and bondedto ( attr rmsd >= 35.56411 and attr rmsd <= 37.16411 ))
3.0 3.0 0.5999999
peak 769 ppm1 1.477109 ppm2 2.209201 volume 12100000 weight 1.0
REMARK dnoe: 2.733645 position 2.21293 1.239515
ASSI { 770 }
( attr rmsd >= 1.179515 and attr rmsd <= 1.299515 )
(( attr rmsd >= 2.17293 and attr rmsd <= 2.25293 )
and bondedto ( attr rmsd >= 35.76733 and attr rmsd <= 37.36733 ))
3.0 3.0 0.5999999
peak 770 ppm1 1.239515 ppm2 2.21293 volume 18200000 weight 1.0
REMARK dnoe: 2.955311 position 2.196961 0.7819617
ASSI { 771 }
( attr rmsd >= 0.7219617 and attr rmsd <= 0.8419617 )
(( attr rmsd >= 2.156961 and attr rmsd <= 2.236961 )
and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
3.0 3.0 0.5999999
peak 771 ppm1 0.7819617 ppm2 2.196961 volume 11400000 weight 1.0
REMARK dnoe: 3.0375 position 1.771155 1.369719
ASSI { 772 }
( attr rmsd >= 1.309719 and attr rmsd <= 1.429719 )
(( attr rmsd >= 1.731155 and attr rmsd <= 1.811155 )
and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
3.6 3.6 1.4
peak 772 ppm1 1.369719 ppm2 1.771155 volume 9670000 weight 1.0
REMARK dnoe: 3.322099 position 1.369641 1.756895
ASSI { 773 }
( attr rmsd >= 1.696895 and attr rmsd <= 1.816895 )
(( attr rmsd >= 1.329641 and attr rmsd <= 1.409641 )
and bondedto ( attr rmsd >= 35.72423 and attr rmsd <= 37.32423 ))
3.6 3.6 1.4
peak 773 ppm1 1.756895 ppm2 1.369641 volume 5650000 weight 1.0
REMARK dnoe: 2.781506 position 3.740945 9.084227
ASSI { 774 }
( attr rmsd >= 9.024226 and attr rmsd <= 9.144227 )
(( attr rmsd >= 3.700945 and attr rmsd <= 3.780945 )
and bondedto ( attr rmsd >= 63.34827 and attr rmsd <= 64.94827 ))
3.0 3.0 0.5999999
peak 774 ppm1 9.084227 ppm2 3.740945 volume 16400000 weight 1.0
REMARK dnoe: 2.781506 position 3.721787 8.334514
ASSI { 775 }
( attr rmsd >= 8.274513 and attr rmsd <= 8.394514 )
(( attr rmsd >= 3.681787 and attr rmsd <= 3.761787 )
and bondedto ( attr rmsd >= 63.33297 and attr rmsd <= 64.93298 ))
3.0 3.0 0.5999999
peak 775 ppm1 8.334514 ppm2 3.721787 volume 16400000 weight 1.0
REMARK dnoe: 2.832704 position 3.709008 7.900635
ASSI { 776 }
( attr rmsd >= 7.840635 and attr rmsd <= 7.960635 )
(( attr rmsd >= 3.669008 and attr rmsd <= 3.749008 )
and bondedto ( attr rmsd >= 63.26996 and attr rmsd <= 64.86996 ))
3.0 3.0 0.5999999
peak 776 ppm1 7.900635 ppm2 3.709008 volume 14700000 weight 1.0
REMARK dnoe: 2.902597 position 3.734567 6.840996
ASSI { 777 }
( attr rmsd >= 6.780996 and attr rmsd <= 6.900996 )
(( attr rmsd >= 3.694567 and attr rmsd <= 3.774567 )
and bondedto ( attr rmsd >= 63.34455 and attr rmsd <= 64.94455 ))
3.0 3.0 0.5999999
peak 777 ppm1 6.840996 ppm2 3.734567 volume 12700000 weight 1.0
REMARK dnoe: 2.731149 position 3.721787 6.681597
ASSI { 778 }
( attr rmsd >= 6.621597 and attr rmsd <= 6.741597 )
(( attr rmsd >= 3.681787 and attr rmsd <= 3.761787 )
and bondedto ( attr rmsd >= 63.32816 and attr rmsd <= 64.92816 ))
3.0 3.0 0.5999999
peak 778 ppm1 6.681597 ppm2 3.721787 volume 18300000 weight 1.0
REMARK dnoe: 2.323251 position 3.907103 4.551772
ASSI { 780 }
( attr rmsd >= 4.491772 and attr rmsd <= 4.611772 )
(( attr rmsd >= 3.867103 and attr rmsd <= 3.947103 )
and bondedto ( attr rmsd >= 63.37891 and attr rmsd <= 64.97891 ))
2.5 2.5 0.2
peak 780 ppm1 4.551772 ppm2 3.907103 volume 48300000 weight 1.0
REMARK dnoe: 2.263988 position 3.815629 4.549967
ASSI { 781 }
( attr rmsd >= 4.489967 and attr rmsd <= 4.609967 )
(( attr rmsd >= 3.775629 and attr rmsd <= 3.855629 )
and bondedto ( attr rmsd >= 63.29337 and attr rmsd <= 64.89337 ))
2.5 2.5 0.2
peak 781 ppm1 4.549967 ppm2 3.815629 volume 56400000 weight 1.0
REMARK dnoe: 2.072292 position 3.788687 4.35929
ASSI { 782 }
( attr rmsd >= 4.29929 and attr rmsd <= 4.41929 )
(( attr rmsd >= 3.748687 and attr rmsd <= 3.828687 )
and bondedto ( attr rmsd >= 63.01840 and attr rmsd <= 64.61840 ))
2.5 2.5 0.2
peak 782 ppm1 4.35929 ppm2 3.788687 volume 95900000 weight 1.0
REMARK dnoe: 1.988092 position 3.738248 4.357485
ASSI { 783 }
( attr rmsd >= 4.297485 and attr rmsd <= 4.417485 )
(( attr rmsd >= 3.698248 and attr rmsd <= 3.778248 )
and bondedto ( attr rmsd >= 63.01840 and attr rmsd <= 64.61840 ))
2.5 2.5 0.2
peak 783 ppm1 4.357485 ppm2 3.738248 volume 123000000 weight 1.0
REMARK dnoe: 2.504161 position 3.599127 4.317914
ASSI { 784 }
( attr rmsd >= 4.257914 and attr rmsd <= 4.377914 )
(( attr rmsd >= 3.559127 and attr rmsd <= 3.639127 )
and bondedto ( attr rmsd >= 63.09212 and attr rmsd <= 64.69212 ))
3.0 3.0 0.5999999
peak 784 ppm1 4.317914 ppm2 3.599127 volume 30800000 weight 1.0
REMARK dnoe: 2.823181 position 3.71834 2.186478
ASSI { 785 }
( attr rmsd >= 2.126478 and attr rmsd <= 2.246478 )
(( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )
and bondedto ( attr rmsd >= 63.35024 and attr rmsd <= 64.95024 ))
3.0 3.0 0.5999999
peak 785 ppm1 2.186478 ppm2 3.71834 volume 15000001 weight 1.0
REMARK dnoe: 2.630963 position 3.71834 1.843018
ASSI { 786 }
( attr rmsd >= 1.783018 and attr rmsd <= 1.903018 )
(( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )
and bondedto ( attr rmsd >= 63.34455 and attr rmsd <= 64.94455 ))
3.0 3.0 0.5999999
peak 786 ppm1 1.843018 ppm2 3.71834 volume 22900000 weight 1.0
REMARK dnoe: 2.938374 position 3.907103 1.553909
ASSI { 787 }
( attr rmsd >= 1.493909 and attr rmsd <= 1.613909 )
(( attr rmsd >= 3.867103 and attr rmsd <= 3.947103 )
and bondedto ( attr rmsd >= 63.45743 and attr rmsd <= 65.05743 ))
3.0 3.0 0.5999999
peak 787 ppm1 1.553909 ppm2 3.907103 volume 11800000 weight 1.0
REMARK dnoe: 2.829504 position 3.905157 1.179085
ASSI { 788 }
( attr rmsd >= 1.119085 and attr rmsd <= 1.239085 )
(( attr rmsd >= 3.865157 and attr rmsd <= 3.945157 )
and bondedto ( attr rmsd >= 63.36359 and attr rmsd <= 64.96359 ))
3.0 3.0 0.5999999
peak 788 ppm1 1.179085 ppm2 3.905157 volume 14800000 weight 1.0
REMARK dnoe: 2.914185 position 3.813683 1.193328
ASSI { 789 }
( attr rmsd >= 1.133328 and attr rmsd <= 1.253328 )
(( attr rmsd >= 3.773683 and attr rmsd <= 3.853683 )
and bondedto ( attr rmsd >= 63.23146 and attr rmsd <= 64.83147 ))
3.0 3.0 0.5999999
peak 789 ppm1 1.193328 ppm2 3.813683 volume 12400000 weight 1.0
REMARK dnoe: 2.930154 position 3.737803 1.255755
ASSI { 790 }
( attr rmsd >= 1.195755 and attr rmsd <= 1.315755 )
(( attr rmsd >= 3.697803 and attr rmsd <= 3.777803 )
and bondedto ( attr rmsd >= 63.20893 and attr rmsd <= 64.80893 ))
3.0 3.0 0.5999999
peak 790 ppm1 1.255755 ppm2 3.737803 volume 12000000 weight 1.0
REMARK dnoe: 2.442157 position 3.71834 0.6645823
ASSI { 791 }
( attr rmsd >= 0.6045823 and attr rmsd <= 0.7245823 )
(( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )
and bondedto ( attr rmsd >= 63.33602 and attr rmsd <= 64.93602 ))
2.5 2.5 0.2
peak 791 ppm1 0.6645823 ppm2 3.71834 volume 35800000 weight 1.0
REMARK dnoe: 3.364074 position 3.905157 0.6645823
ASSI { 792 }
( attr rmsd >= 0.6045823 and attr rmsd <= 0.7245823 )
(( attr rmsd >= 3.865157 and attr rmsd <= 3.945157 )
and bondedto ( attr rmsd >= 63.35747 and attr rmsd <= 64.95747 ))
3.6 3.6 1.4
peak 792 ppm1 0.6645823 ppm2 3.905157 volume 5240000 weight 1.0
REMARK dnoe: 2.656716 position 3.726125 2.017369
ASSI { 793 }
( attr rmsd >= 1.957369 and attr rmsd <= 2.077369 )
(( attr rmsd >= 3.686125 and attr rmsd <= 3.766125 )
and bondedto ( attr rmsd >= 63.33383 and attr rmsd <= 64.93383 ))
3.0 3.0 0.5999999
peak 793 ppm1 2.017369 ppm2 3.726125 volume 21600000 weight 1.0
REMARK dnoe: 2.751573 position 3.71834 0.8138843
ASSI { 794 }
( attr rmsd >= 0.7538843 and attr rmsd <= 0.8738843 )
(( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )
and bondedto ( attr rmsd >= 63.30956 and attr rmsd <= 64.90956 ))
3.0 3.0 0.5999999
peak 794 ppm1 0.8138843 ppm2 3.71834 volume 17500000 weight 1.0
REMARK dnoe: 2.873195 position 3.726125 0.9595997
ASSI { 795 }
( attr rmsd >= 0.8995997 and attr rmsd <= 1.0196 )
(( attr rmsd >= 3.686125 and attr rmsd <= 3.766125 )
and bondedto ( attr rmsd >= 63.33231 and attr rmsd <= 64.93231 ))
3.0 3.0 0.5999999
peak 795 ppm1 0.9595997 ppm2 3.726125 volume 13500001 weight 1.0
REMARK dnoe: 3.21794 position 3.814598 2.547726
ASSI { 796 }
( attr rmsd >= 2.487726 and attr rmsd <= 2.607726 )
(( attr rmsd >= 3.774598 and attr rmsd <= 3.854598 )
and bondedto ( attr rmsd >= 63.38962 and attr rmsd <= 64.98962 ))
3.6 3.6 1.4
peak 796 ppm1 2.547726 ppm2 3.814598 volume 6840000 weight 1.0
REMARK dnoe: 2.968476 position 3.722257 0.3328948
ASSI { 797 }
( attr rmsd >= 0.2728948 and attr rmsd <= 0.3928948 )
(( attr rmsd >= 3.682257 and attr rmsd <= 3.762257 )
and bondedto ( attr rmsd >= 63.32531 and attr rmsd <= 64.92532 ))
3.0 3.0 0.5999999
peak 797 ppm1 0.3328948 ppm2 3.722257 volume 11100000 weight 1.0
REMARK dnoe: 3.105323 position 3.602902 8.544332
ASSI { 798 }
( attr rmsd >= 8.484331 and attr rmsd <= 8.604332 )
(( attr rmsd >= 3.562902 and attr rmsd <= 3.642902 )
and bondedto ( attr rmsd >= 63.06040 and attr rmsd <= 64.66040 ))
3.6 3.6 1.4
peak 798 ppm1 8.544332 ppm2 3.602902 volume 8470000 weight 1.0
REMARK dnoe: 2.910286 position 3.602879 7.706863
ASSI { 799 }
( attr rmsd >= 7.646863 and attr rmsd <= 7.766863 )
(( attr rmsd >= 3.562879 and attr rmsd <= 3.642879 )
and bondedto ( attr rmsd >= 63.08295 and attr rmsd <= 64.68295 ))
3.0 3.0 0.5999999
peak 799 ppm1 7.706863 ppm2 3.602879 volume 12500000 weight 1.0
REMARK dnoe: 3.704215 position 3.601589 6.67715
ASSI { 800 }
( attr rmsd >= 6.61715 and attr rmsd <= 6.73715 )
(( attr rmsd >= 3.561589 and attr rmsd <= 3.641589 )
and bondedto ( attr rmsd >= 63.10065 and attr rmsd <= 64.70065 ))
4.2 4.2 1.8
peak 800 ppm1 6.67715 ppm2 3.601589 volume 2940000 weight 1.0
REMARK dnoe: 3.552265 position 3.61268 8.335997
ASSI { 801 }
( attr rmsd >= 8.275996 and attr rmsd <= 8.395997 )
(( attr rmsd >= 3.57268 and attr rmsd <= 3.65268 )
and bondedto ( attr rmsd >= 63.13062 and attr rmsd <= 64.73062 ))
3.6 3.6 1.4
peak 801 ppm1 8.335997 ppm2 3.61268 volume 3780000 weight 1.0
REMARK dnoe: 2.938374 position 3.604661 1.740999
ASSI { 802 }
( attr rmsd >= 1.680999 and attr rmsd <= 1.800999 )
(( attr rmsd >= 3.564661 and attr rmsd <= 3.644661 )
and bondedto ( attr rmsd >= 62.98319 and attr rmsd <= 64.58319 ))
3.0 3.0 0.5999999
peak 802 ppm1 1.740999 ppm2 3.604661 volume 11800000 weight 1.0
REMARK dnoe: 2.942544 position 3.604661 1.090169
ASSI { 803 }
( attr rmsd >= 1.030169 and attr rmsd <= 1.150169 )
(( attr rmsd >= 3.564661 and attr rmsd <= 3.644661 )
and bondedto ( attr rmsd >= 62.95563 and attr rmsd <= 64.55563 ))
3.0 3.0 0.5999999
peak 803 ppm1 1.090169 ppm2 3.604661 volume 11700000 weight 1.0
REMARK dnoe: 3.046492 position 3.607241 0.7695022
ASSI { 804 }
( attr rmsd >= 0.7095022 and attr rmsd <= 0.8295022 )
(( attr rmsd >= 3.567241 and attr rmsd <= 3.647241 )
and bondedto ( attr rmsd >= 62.96525 and attr rmsd <= 64.56525 ))
3.6 3.6 1.4
peak 804 ppm1 0.7695022 ppm2 3.607241 volume 9500000 weight 1.0
REMARK dnoe: 3.203279 position 3.607241 0.6222191
ASSI { 805 }
( attr rmsd >= 0.5622191 and attr rmsd <= 0.6822191 )
(( attr rmsd >= 3.567241 and attr rmsd <= 3.647241 )
and bondedto ( attr rmsd >= 62.93726 and attr rmsd <= 64.53726 ))
3.6 3.6 1.4
peak 805 ppm1 0.6222191 ppm2 3.607241 volume 7030000 weight 1.0
REMARK dnoe: 3.309528 position 3.602082 0.3182011
ASSI { 806 }
( attr rmsd >= 0.2582011 and attr rmsd <= 0.3782011 )
(( attr rmsd >= 3.562082 and attr rmsd <= 3.642082 )
and bondedto ( attr rmsd >= 62.95191 and attr rmsd <= 64.55191 ))
3.6 3.6 1.4
peak 806 ppm1 0.3182011 ppm2 3.602082 volume 5780000 weight 1.0
REMARK dnoe: 3.282635 position 1.724844 8.614408
ASSI { 807 }
( attr rmsd >= 8.554407 and attr rmsd <= 8.674408 )
(( attr rmsd >= 1.684844 and attr rmsd <= 1.764844 )
and bondedto ( attr rmsd >= 34.23590 and attr rmsd <= 35.83590 ))
3.6 3.6 1.4
peak 807 ppm1 8.614408 ppm2 1.724844 volume 6070000 weight 1.0
REMARK dnoe: 3.12277 position 1.537699 8.612238
ASSI { 808 }
( attr rmsd >= 8.552238 and attr rmsd <= 8.672238 )
(( attr rmsd >= 1.497699 and attr rmsd <= 1.577699 )
and bondedto ( attr rmsd >= 34.28052 and attr rmsd <= 35.88052 ))
3.6 3.6 1.4
peak 808 ppm1 8.612238 ppm2 1.537699 volume 8190000 weight 1.0
REMARK dnoe: 3.67362 position 1.533643 7.708625
ASSI { 809 }
( attr rmsd >= 7.648625 and attr rmsd <= 7.768625 )
(( attr rmsd >= 1.493643 and attr rmsd <= 1.573643 )
and bondedto ( attr rmsd >= 34.34746 and attr rmsd <= 35.94746 ))
4.2 4.2 1.8
peak 809 ppm1 7.708625 ppm2 1.533643 volume 0.309e+07 weight 1.0
REMARK dnoe: 3.216375 position 1.73094 7.706455
ASSI { 810 }
( attr rmsd >= 7.646455 and attr rmsd <= 7.766455 )
(( attr rmsd >= 1.69094 and attr rmsd <= 1.77094 )
and bondedto ( attr rmsd >= 34.32515 and attr rmsd <= 35.92515 ))
3.6 3.6 1.4
peak 810 ppm1 7.706455 ppm2 1.73094 volume 6860000 weight 1.0
REMARK dnoe: 2.361429 position 1.730166 4.41233
ASSI { 811 }
( attr rmsd >= 4.35233 and attr rmsd <= 4.47233 )
(( attr rmsd >= 1.690166 and attr rmsd <= 1.770166 )
and bondedto ( attr rmsd >= 34.36956 and attr rmsd <= 35.96956 ))
2.5 2.5 0.2
peak 811 ppm1 4.41233 ppm2 1.730166 volume 43800000 weight 1.0
REMARK dnoe: 2.429869 position 1.536362 4.41581
ASSI { 812 }
( attr rmsd >= 4.35581 and attr rmsd <= 4.47581 )
(( attr rmsd >= 1.496362 and attr rmsd <= 1.576362 )
and bondedto ( attr rmsd >= 34.31924 and attr rmsd <= 35.91924 ))
2.5 2.5 0.2
peak 812 ppm1 4.41581 ppm2 1.536362 volume 36900000 weight 1.0
REMARK dnoe: 2.770357 position 1.770944 5.626791
ASSI { 813 }
( attr rmsd >= 5.566791 and attr rmsd <= 5.686791 )
(( attr rmsd >= 1.730944 and attr rmsd <= 1.810944 )
and bondedto ( attr rmsd >= 33.96838 and attr rmsd <= 35.56838 ))
3.0 3.0 0.5999999
peak 813 ppm1 5.626791 ppm2 1.770944 volume 16800000 weight 1.0
REMARK dnoe: 2.638701 position 1.726532 1.086797
ASSI { 814 }
( attr rmsd >= 1.026797 and attr rmsd <= 1.146797 )
(( attr rmsd >= 1.686532 and attr rmsd <= 1.766532 )
and bondedto ( attr rmsd >= 34.33280 and attr rmsd <= 35.93280 ))
3.0 3.0 0.5999999
peak 814 ppm1 1.086797 ppm2 1.726532 volume 22500000 weight 1.0
REMARK dnoe: 2.671343 position 1.535283 1.086797
ASSI { 815 }
( attr rmsd >= 1.026797 and attr rmsd <= 1.146797 )
(( attr rmsd >= 1.495283 and attr rmsd <= 1.575283 )
and bondedto ( attr rmsd >= 34.35643 and attr rmsd <= 35.95643 ))
3.0 3.0 0.5999999
peak 815 ppm1 1.086797 ppm2 1.535283 volume 20900000 weight 1.0
REMARK dnoe: 2.044475 position 1.726532 1.525402
ASSI { 816 }
( attr rmsd >= 1.465402 and attr rmsd <= 1.585402 )
(( attr rmsd >= 1.686532 and attr rmsd <= 1.766532 )
and bondedto ( attr rmsd >= 34.30328 and attr rmsd <= 35.90328 ))
2.5 2.5 0.2
peak 816 ppm1 1.525402 ppm2 1.726532 volume 104000000 weight 1.0
REMARK dnoe: 2.204335 position 1.535283 1.718507
ASSI { 817 }
( attr rmsd >= 1.658507 and attr rmsd <= 1.778507 )
(( attr rmsd >= 1.495283 and attr rmsd <= 1.575283 )
and bondedto ( attr rmsd >= 34.32843 and attr rmsd <= 35.92843 ))
2.5 2.5 0.2
peak 817 ppm1 1.718507 ppm2 1.535283 volume 66200000 weight 1.0
REMARK dnoe: 2.004732 position 1.771366 1.933502
ASSI { 818 }
( attr rmsd >= 1.873502 and attr rmsd <= 1.993502 )
(( attr rmsd >= 1.731366 and attr rmsd <= 1.811366 )
and bondedto ( attr rmsd >= 33.96838 and attr rmsd <= 35.56838 ))
2.5 2.5 0.2
peak 818 ppm1 1.933502 ppm2 1.771366 volume 117000000 weight 1.0
REMARK dnoe: 2.558149 position 1.747448 0.6842175
ASSI { 819 }
( attr rmsd >= 0.6242175 and attr rmsd <= 0.7442175 )
(( attr rmsd >= 1.707448 and attr rmsd <= 1.787448 )
and bondedto ( attr rmsd >= 34.07972 and attr rmsd <= 35.67972 ))
3.0 3.0 0.5999999
peak 819 ppm1 0.6842175 ppm2 1.747448 volume 27100000 weight 1.0
REMARK dnoe: 3.392729 position 1.541263 0.6261072
ASSI { 820 }
( attr rmsd >= 0.5661072 and attr rmsd <= 0.6861072 )
(( attr rmsd >= 1.501263 and attr rmsd <= 1.581263 )
and bondedto ( attr rmsd >= 34.36146 and attr rmsd <= 35.96146 ))
3.6 3.6 1.4
peak 820 ppm1 0.6261072 ppm2 1.541263 volume 4980000 weight 1.0
REMARK dnoe: 2.669218 position 3.971634 8.932905
ASSI { 821 }
( attr rmsd >= 8.872905 and attr rmsd <= 8.992906 )
(( attr rmsd >= 3.931634 and attr rmsd <= 4.011634 )
and bondedto ( attr rmsd >= 62.86485 and attr rmsd <= 64.46485 ))
3.0 3.0 0.5999999
peak 821 ppm1 8.932905 ppm2 3.971634 volume 21000000 weight 1.0
REMARK dnoe: 3.183949 position 3.971189 6.562606
ASSI { 822 }
( attr rmsd >= 6.502606 and attr rmsd <= 6.622606 )
(( attr rmsd >= 3.931189 and attr rmsd <= 4.011189 )
and bondedto ( attr rmsd >= 62.79660 and attr rmsd <= 64.39660 ))
3.6 3.6 1.4
peak 822 ppm1 6.562606 ppm2 3.971189 volume 0.729e+07 weight 1.0
REMARK dnoe: 3.57468 position 4.350707 9.45673
ASSI { 823 }
( attr rmsd >= 9.396729 and attr rmsd <= 9.51673 )
(( attr rmsd >= 4.310707 and attr rmsd <= 4.390707 )
and bondedto ( attr rmsd >= 62.28408 and attr rmsd <= 63.88408 ))
3.6 3.6 1.4
peak 823 ppm1 9.45673 ppm2 4.350707 volume 3640000 weight 1.0
REMARK dnoe: 2.823181 position 4.35338 8.373912
ASSI { 824 }
( attr rmsd >= 8.313911 and attr rmsd <= 8.433912 )
(( attr rmsd >= 4.31338 and attr rmsd <= 4.39338 )
and bondedto ( attr rmsd >= 62.16268 and attr rmsd <= 63.76268 ))
3.0 3.0 0.5999999
peak 824 ppm1 8.373912 ppm2 4.35338 volume 15000001 weight 1.0
REMARK dnoe: 2.855832 position 4.489547 7.902052
ASSI { 825 }
( attr rmsd >= 7.842052 and attr rmsd <= 7.962052 )
(( attr rmsd >= 4.449547 and attr rmsd <= 4.529547 )
and bondedto ( attr rmsd >= 62.21124 and attr rmsd <= 63.81124 ))
3.0 3.0 0.5999999
peak 825 ppm1 7.902052 ppm2 4.489547 volume 14000000 weight 1.0
REMARK dnoe: 2.17269 position 4.356053 2.196876
ASSI { 826 }
( attr rmsd >= 2.136876 and attr rmsd <= 2.256876 )
(( attr rmsd >= 4.316053 and attr rmsd <= 4.396053 )
and bondedto ( attr rmsd >= 62.21453 and attr rmsd <= 63.81453 ))
2.5 2.5 0.2
peak 826 ppm1 2.196876 ppm2 4.356053 volume 72200000 weight 1.0
REMARK dnoe: 2.289013 position 4.356545 1.93593
ASSI { 827 }
( attr rmsd >= 1.87593 and attr rmsd <= 1.99593 )
(( attr rmsd >= 4.316545 and attr rmsd <= 4.396545 )
and bondedto ( attr rmsd >= 62.25324 and attr rmsd <= 63.85324 ))
2.5 2.5 0.2
peak 827 ppm1 1.93593 ppm2 4.356545 volume 52800000 weight 1.0
REMARK dnoe: 2.320855 position 4.353778 1.784564
ASSI { 828 }
( attr rmsd >= 1.724564 and attr rmsd <= 1.844564 )
(( attr rmsd >= 4.313778 and attr rmsd <= 4.393778 )
and bondedto ( attr rmsd >= 62.23465 and attr rmsd <= 63.83465 ))
2.5 2.5 0.2
peak 828 ppm1 1.784564 ppm2 4.353778 volume 48600000 weight 1.0
REMARK dnoe: 2.603289 position 4.348033 1.158547
ASSI { 829 }
( attr rmsd >= 1.098547 and attr rmsd <= 1.218547 )
(( attr rmsd >= 4.308033 and attr rmsd <= 4.388033 )
and bondedto ( attr rmsd >= 62.22130 and attr rmsd <= 63.82130 ))
3.0 3.0 0.5999999
peak 829 ppm1 1.158547 ppm2 4.348033 volume 24400000 weight 1.0
REMARK dnoe: 2.895048 position 4.49487 1.135433
ASSI { 830 }
( attr rmsd >= 1.075433 and attr rmsd <= 1.195433 )
(( attr rmsd >= 4.45487 and attr rmsd <= 4.53487 )
and bondedto ( attr rmsd >= 62.20599 and attr rmsd <= 63.80599 ))
3.0 3.0 0.5999999
peak 830 ppm1 1.135433 ppm2 4.49487 volume 12899999 weight 1.0
REMARK dnoe: 2.748961 position 4.487624 2.337005
ASSI { 831 }
( attr rmsd >= 2.277005 and attr rmsd <= 2.397005 )
(( attr rmsd >= 4.447624 and attr rmsd <= 4.527624 )
and bondedto ( attr rmsd >= 62.21955 and attr rmsd <= 63.81955 ))
3.0 3.0 0.5999999
peak 831 ppm1 2.337005 ppm2 4.487624 volume 17600000 weight 1.0
REMARK dnoe: 2.866161 position 4.495902 2.208176
ASSI { 832 }
( attr rmsd >= 2.148176 and attr rmsd <= 2.268176 )
(( attr rmsd >= 4.455902 and attr rmsd <= 4.535902 )
and bondedto ( attr rmsd >= 62.20512 and attr rmsd <= 63.80512 ))
3.0 3.0 0.5999999
peak 832 ppm1 2.208176 ppm2 4.495902 volume 13699999 weight 1.0
REMARK dnoe: 2.673479 position 4.49222 1.996574
ASSI { 833 }
( attr rmsd >= 1.936574 and attr rmsd <= 2.056574 )
(( attr rmsd >= 4.45222 and attr rmsd <= 4.53222 )
and bondedto ( attr rmsd >= 62.23421 and attr rmsd <= 63.83421 ))
3.0 3.0 0.5999999
peak 833 ppm1 1.996574 ppm2 4.49222 volume 20800000 weight 1.0
REMARK dnoe: 2.675627 position 4.49222 1.802459
ASSI { 834 }
( attr rmsd >= 1.742459 and attr rmsd <= 1.862459 )
(( attr rmsd >= 4.45222 and attr rmsd <= 4.53222 )
and bondedto ( attr rmsd >= 62.20030 and attr rmsd <= 63.80030 ))
3.0 3.0 0.5999999
peak 834 ppm1 1.802459 ppm2 4.49222 volume 20700000 weight 1.0
REMARK dnoe: 2.407557 position 4.344141 1.887508
ASSI { 836 }
( attr rmsd >= 1.827508 and attr rmsd <= 1.947508 )
(( attr rmsd >= 4.304141 and attr rmsd <= 4.384141 )
and bondedto ( attr rmsd >= 62.85829 and attr rmsd <= 64.45829 ))
2.5 2.5 0.2
peak 836 ppm1 1.887508 ppm2 4.344141 volume 39000000 weight 1.0
REMARK dnoe: 2.194501 position 4.353146 2.227617
ASSI { 837 }
( attr rmsd >= 2.167617 and attr rmsd <= 2.287617 )
(( attr rmsd >= 4.313146 and attr rmsd <= 4.393146 )
and bondedto ( attr rmsd >= 62.75460 and attr rmsd <= 64.35460 ))
2.5 2.5 0.2
peak 837 ppm1 2.227617 ppm2 4.353146 volume 68000000 weight 1.0
REMARK dnoe: 2.610471 position 4.508283 1.887465
ASSI { 838 }
( attr rmsd >= 1.827465 and attr rmsd <= 1.947465 )
(( attr rmsd >= 4.468283 and attr rmsd <= 4.548283 )
and bondedto ( attr rmsd >= 62.21781 and attr rmsd <= 63.81781 ))
3.0 3.0 0.5999999
peak 838 ppm1 1.887465 ppm2 4.508283 volume 24000000 weight 1.0
REMARK dnoe: 2.938374 position 1.770452 9.407385
ASSI { 839 }
( attr rmsd >= 9.347384 and attr rmsd <= 9.467385 )
(( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )
and bondedto ( attr rmsd >= 33.96707 and attr rmsd <= 35.56707 ))
3.0 3.0 0.5999999
peak 839 ppm1 9.407385 ppm2 1.770452 volume 11800000 weight 1.0
REMARK dnoe: 3.373801 position 1.770452 9.129125
ASSI { 840 }
( attr rmsd >= 9.069124 and attr rmsd <= 9.189125 )
(( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )
and bondedto ( attr rmsd >= 34.00753 and attr rmsd <= 35.60753 ))
3.6 3.6 1.4
peak 840 ppm1 9.129125 ppm2 1.770452 volume 5150000 weight 1.0
REMARK dnoe: 2.938374 position 1.770452 7.816939
ASSI { 841 }
( attr rmsd >= 7.756939 and attr rmsd <= 7.876939 )
(( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )
and bondedto ( attr rmsd >= 33.99135 and attr rmsd <= 35.59135 ))
3.0 3.0 0.5999999
peak 841 ppm1 7.816939 ppm2 1.770452 volume 11800000 weight 1.0
REMARK dnoe: 3.453088 position 1.773054 6.105268
ASSI { 842 }
( attr rmsd >= 6.045268 and attr rmsd <= 6.165268 )
(( attr rmsd >= 1.733054 and attr rmsd <= 1.813054 )
and bondedto ( attr rmsd >= 33.99441 and attr rmsd <= 35.59441 ))
3.6 3.6 1.4
peak 842 ppm1 6.105268 ppm2 1.773054 volume 4480000 weight 1.0
REMARK dnoe: 2.982062 position 1.772937 4.122662
ASSI { 843 }
( attr rmsd >= 4.062662 and attr rmsd <= 4.182662 )
(( attr rmsd >= 1.732937 and attr rmsd <= 1.812937 )
and bondedto ( attr rmsd >= 34.05325 and attr rmsd <= 35.65325 ))
3.0 3.0 0.5999999
peak 843 ppm1 4.122662 ppm2 1.772937 volume 10800000 weight 1.0
REMARK dnoe: 3.068975 position 1.597915 1.235046
ASSI { 844 }
( attr rmsd >= 1.175046 and attr rmsd <= 1.295046 )
(( attr rmsd >= 1.557915 and attr rmsd <= 1.637915 )
and bondedto ( attr rmsd >= 33.72907 and attr rmsd <= 35.32907 ))
3.6 3.6 1.4
peak 844 ppm1 1.235046 ppm2 1.597915 volume 9090000 weight 1.0
REMARK dnoe: 3.099858 position 1.253031 1.587808
ASSI { 845 }
( attr rmsd >= 1.527808 and attr rmsd <= 1.647808 )
(( attr rmsd >= 1.213031 and attr rmsd <= 1.293031 )
and bondedto ( attr rmsd >= 33.71464 and attr rmsd <= 35.31464 ))
3.6 3.6 1.4
peak 845 ppm1 1.587808 ppm2 1.253031 volume 8560000 weight 1.0
REMARK dnoe: 2.190228 position 1.922235 0.8334768
ASSI { 846 }
( attr rmsd >= 0.7734768 and attr rmsd <= 0.8934768 )
(( attr rmsd >= 1.882235 and attr rmsd <= 1.962235 )
and bondedto ( attr rmsd >= 33.29990 and attr rmsd <= 34.89990 ))
2.5 2.5 0.2
peak 846 ppm1 0.8334768 ppm2 1.922235 volume 68800000 weight 1.0
REMARK dnoe: 1.996291 position 1.91309 0.736505
ASSI { 847 }
( attr rmsd >= 0.676505 and attr rmsd <= 0.796505 )
(( attr rmsd >= 1.87309 and attr rmsd <= 1.95309 )
and bondedto ( attr rmsd >= 33.32309 and attr rmsd <= 34.92309 ))
2.5 2.5 0.2
peak 847 ppm1 0.736505 ppm2 1.91309 volume 120000000 weight 1.0
REMARK dnoe: 2.484393 position 4.040268 9.221306
ASSI { 848 }
( attr rmsd >= 9.161305 and attr rmsd <= 9.281306 )
(( attr rmsd >= 4.000268 and attr rmsd <= 4.080268 )
and bondedto ( attr rmsd >= 61.22690 and attr rmsd <= 62.82690 ))
2.5 2.5 0.2
peak 848 ppm1 9.221306 ppm2 4.040268 volume 32300002 weight 1.0
REMARK dnoe: 3.020559 position 4.041254 8.116812
ASSI { 849 }
( attr rmsd >= 8.056811 and attr rmsd <= 8.176812 )
(( attr rmsd >= 4.001254 and attr rmsd <= 4.081254 )
and bondedto ( attr rmsd >= 61.17134 and attr rmsd <= 62.77134 ))
3.6 3.6 1.4
peak 849 ppm1 8.116812 ppm2 4.041254 volume 10000000 weight 1.0
REMARK dnoe: 2.320855 position 3.835983 8.114341
ASSI { 850 }
( attr rmsd >= 8.05434 and attr rmsd <= 8.174341 )
(( attr rmsd >= 3.795983 and attr rmsd <= 3.875983 )
and bondedto ( attr rmsd >= 61.04337 and attr rmsd <= 62.64337 ))
2.5 2.5 0.2
peak 850 ppm1 8.114341 ppm2 3.835983 volume 48600000 weight 1.0
REMARK dnoe: 3.207092 position 3.840579 7.130621
ASSI { 851 }
( attr rmsd >= 7.070621 and attr rmsd <= 7.190621 )
(( attr rmsd >= 3.800579 and attr rmsd <= 3.880579 )
and bondedto ( attr rmsd >= 61.03221 and attr rmsd <= 62.63221 ))
3.6 3.6 1.4
peak 851 ppm1 7.130621 ppm2 3.840579 volume 6980000 weight 1.0
REMARK dnoe: 2.667106 position 4.0413 1.717368
ASSI { 852 }
( attr rmsd >= 1.657368 and attr rmsd <= 1.777368 )
(( attr rmsd >= 4.0013 and attr rmsd <= 4.0813 )
and bondedto ( attr rmsd >= 61.22865 and attr rmsd <= 62.82865 ))
3.0 3.0 0.5999999
peak 852 ppm1 1.717368 ppm2 4.0413 volume 21100000 weight 1.0
REMARK dnoe: 2.636752 position 4.040667 1.172662
ASSI { 853 }
( attr rmsd >= 1.112662 and attr rmsd <= 1.232662 )
(( attr rmsd >= 4.000667 and attr rmsd <= 4.080667 )
and bondedto ( attr rmsd >= 61.16258 and attr rmsd <= 62.76258 ))
3.0 3.0 0.5999999
peak 853 ppm1 1.172662 ppm2 4.040667 volume 22600000 weight 1.0
REMARK dnoe: 2.231558 position 4.040808 0.7632506
ASSI { 854 }
( attr rmsd >= 0.7032506 and attr rmsd <= 0.8232506 )
(( attr rmsd >= 4.000808 and attr rmsd <= 4.080808 )
and bondedto ( attr rmsd >= 61.19255 and attr rmsd <= 62.79255 ))
2.5 2.5 0.2
peak 854 ppm1 0.7632506 ppm2 4.040808 volume 61500000 weight 1.0
REMARK dnoe: 2.374249 position 3.833638 0.7183309
ASSI { 855 }
( attr rmsd >= 0.6583309 and attr rmsd <= 0.7783309 )
(( attr rmsd >= 3.793638 and attr rmsd <= 3.873638 )
and bondedto ( attr rmsd >= 61.04491 and attr rmsd <= 62.64491 ))
2.5 2.5 0.2
peak 855 ppm1 0.7183309 ppm2 3.833638 volume 42400000 weight 1.0
REMARK dnoe: 2.553459 position 3.83338 0.1014009
ASSI { 856 }
( attr rmsd >= 0.0414009 and attr rmsd <= 0.1614009 )
(( attr rmsd >= 3.79338 and attr rmsd <= 3.87338 )
and bondedto ( attr rmsd >= 61.01865 and attr rmsd <= 62.61865 ))
3.0 3.0 0.5999999
peak 856 ppm1 0.1014009 ppm2 3.83338 volume 27399998 weight 1.0
REMARK dnoe: 2.629053 position 1.911238 8.75836
ASSI { 857 }
( attr rmsd >= 8.698359 and attr rmsd <= 8.81836 )
(( attr rmsd >= 1.871238 and attr rmsd <= 1.951238 )
and bondedto ( attr rmsd >= 33.46177 and attr rmsd <= 35.06177 ))
3.0 3.0 0.5999999
peak 857 ppm1 8.75836 ppm2 1.911238 volume 23000000 weight 1.0
REMARK dnoe: 2.686553 position 1.863988 7.14394
ASSI { 858 }
( attr rmsd >= 7.08394 and attr rmsd <= 7.20394 )
(( attr rmsd >= 1.823988 and attr rmsd <= 1.903988 )
and bondedto ( attr rmsd >= 32.95253 and attr rmsd <= 34.55253 ))
3.0 3.0 0.5999999
peak 858 ppm1 7.14394 ppm2 1.863988 volume 20200000 weight 1.0
REMARK dnoe: 2.41274 position 1.864458 6.880351
ASSI { 859 }
( attr rmsd >= 6.820351 and attr rmsd <= 6.940351 )
(( attr rmsd >= 1.824458 and attr rmsd <= 1.904458 )
and bondedto ( attr rmsd >= 32.95253 and attr rmsd <= 34.55253 ))
2.5 2.5 0.2
peak 859 ppm1 6.880351 ppm2 1.864458 volume 38500000 weight 1.0
REMARK dnoe: 3.378189 position 2.307733 7.300611
ASSI { 860 }
( attr rmsd >= 7.240611 and attr rmsd <= 7.360611 )
(( attr rmsd >= 2.267733 and attr rmsd <= 2.347733 )
and bondedto ( attr rmsd >= 33.27671 and attr rmsd <= 34.87671 ))
3.6 3.6 1.4
peak 860 ppm1 7.300611 ppm2 2.307733 volume 5110000 weight 1.0
REMARK dnoe: 2.883976 position 2.302809 8.458897
ASSI { 861 }
( attr rmsd >= 8.398896 and attr rmsd <= 8.518897 )
(( attr rmsd >= 2.262809 and attr rmsd <= 2.342809 )
and bondedto ( attr rmsd >= 33.04506 and attr rmsd <= 34.64506 ))
3.0 3.0 0.5999999
peak 861 ppm1 8.458897 ppm2 2.302809 volume 13200000 weight 1.0
REMARK dnoe: 3.044892 position 2.202003 7.281191
ASSI { 862 }
( attr rmsd >= 7.221191 and attr rmsd <= 7.341191 )
(( attr rmsd >= 2.162003 and attr rmsd <= 2.242003 )
and bondedto ( attr rmsd >= 33.18396 and attr rmsd <= 34.78396 ))
3.6 3.6 1.4
peak 862 ppm1 7.281191 ppm2 2.202003 volume 9530000 weight 1.0
REMARK dnoe: 2.845758 position 2.206903 8.458876
ASSI { 863 }
( attr rmsd >= 8.398875 and attr rmsd <= 8.518876 )
(( attr rmsd >= 2.166903 and attr rmsd <= 2.246903 )
and bondedto ( attr rmsd >= 33.04506 and attr rmsd <= 34.64506 ))
3.0 3.0 0.5999999
peak 863 ppm1 8.458876 ppm2 2.206903 volume 14300001 weight 1.0
REMARK dnoe: 2.711742 position 3.620395 6.591994
ASSI { 864 }
( attr rmsd >= 6.531994 and attr rmsd <= 6.651994 )
(( attr rmsd >= 3.580395 and attr rmsd <= 3.660395 )
and bondedto ( attr rmsd >= 33.34605 and attr rmsd <= 34.94605 ))
3.0 3.0 0.5999999
peak 864 ppm1 6.591994 ppm2 3.620395 volume 19100000 weight 1.0
REMARK dnoe: 2.707039 position 3.251124 6.603251
ASSI { 865 }
( attr rmsd >= 6.543251 and attr rmsd <= 6.663251 )
(( attr rmsd >= 3.211124 and attr rmsd <= 3.291124 )
and bondedto ( attr rmsd >= 33.39242 and attr rmsd <= 34.99242 ))
3.0 3.0 0.5999999
peak 865 ppm1 6.603251 ppm2 3.251124 volume 19300000 weight 1.0
REMARK dnoe: 2.642631 position 3.251124 6.767719
ASSI { 866 }
( attr rmsd >= 6.707719 and attr rmsd <= 6.827719 )
(( attr rmsd >= 3.211124 and attr rmsd <= 3.291124 )
and bondedto ( attr rmsd >= 33.34605 and attr rmsd <= 34.94605 ))
3.0 3.0 0.5999999
peak 866 ppm1 6.767719 ppm2 3.251124 volume 22300000 weight 1.0
REMARK dnoe: 2.707039 position 3.623397 6.756441
ASSI { 867 }
( attr rmsd >= 6.696441 and attr rmsd <= 6.816441 )
(( attr rmsd >= 3.583397 and attr rmsd <= 3.663397 )
and bondedto ( attr rmsd >= 33.39242 and attr rmsd <= 34.99242 ))
3.0 3.0 0.5999999
peak 867 ppm1 6.756441 ppm2 3.623397 volume 19300000 weight 1.0
REMARK dnoe: 2.914185 position 3.61186 3.257438
ASSI { 868 }
( attr rmsd >= 3.197438 and attr rmsd <= 3.317438 )
(( attr rmsd >= 3.57186 and attr rmsd <= 3.65186 )
and bondedto ( attr rmsd >= 33.41365 and attr rmsd <= 35.01365 ))
3.0 3.0 0.5999999
peak 868 ppm1 3.257438 ppm2 3.61186 volume 12400000 weight 1.0
REMARK dnoe: 2.792977 position 3.264255 3.610522
ASSI { 869 }
( attr rmsd >= 3.550522 and attr rmsd <= 3.670522 )
(( attr rmsd >= 3.224255 and attr rmsd <= 3.304255 )
and bondedto ( attr rmsd >= 33.27802 and attr rmsd <= 34.87802 ))
3.0 3.0 0.5999999
peak 869 ppm1 3.610522 ppm2 3.264255 volume 16000000 weight 1.0
REMARK dnoe: 2.625262 position 1.909455 4.833577
ASSI { 870 }
( attr rmsd >= 4.773577 and attr rmsd <= 4.893577 )
(( attr rmsd >= 1.869455 and attr rmsd <= 1.949455 )
and bondedto ( attr rmsd >= 33.40730 and attr rmsd <= 35.00730 ))
3.0 3.0 0.5999999
peak 870 ppm1 4.833577 ppm2 1.909455 volume 23200000 weight 1.0
REMARK dnoe: 2.556579 position 1.910698 4.563136
ASSI { 871 }
( attr rmsd >= 4.503136 and attr rmsd <= 4.623136 )
(( attr rmsd >= 1.870698 and attr rmsd <= 1.950698 )
and bondedto ( attr rmsd >= 33.32330 and attr rmsd <= 34.92330 ))
3.0 3.0 0.5999999
peak 871 ppm1 4.563136 ppm2 1.910698 volume 27200002 weight 1.0
REMARK dnoe: 2.522224 position 2.29894 4.591664
ASSI { 872 }
( attr rmsd >= 4.531664 and attr rmsd <= 4.651664 )
(( attr rmsd >= 2.25894 and attr rmsd <= 2.33894 )
and bondedto ( attr rmsd >= 33.07437 and attr rmsd <= 34.67437 ))
3.0 3.0 0.5999999
peak 872 ppm1 4.591664 ppm2 2.29894 volume 29499998 weight 1.0
REMARK dnoe: 2.559725 position 2.20756 4.591428
ASSI { 873 }
( attr rmsd >= 4.531428 and attr rmsd <= 4.651428 )
(( attr rmsd >= 2.16756 and attr rmsd <= 2.24756 )
and bondedto ( attr rmsd >= 33.09690 and attr rmsd <= 34.69690 ))
3.0 3.0 0.5999999
peak 873 ppm1 4.591428 ppm2 2.20756 volume 27000002 weight 1.0
REMARK dnoe: 2.313768 position 2.304286 1.843469
ASSI { 874 }
( attr rmsd >= 1.783469 and attr rmsd <= 1.903469 )
(( attr rmsd >= 2.264286 and attr rmsd <= 2.344286 )
and bondedto ( attr rmsd >= 33.18921 and attr rmsd <= 34.78921 ))
2.5 2.5 0.2
peak 874 ppm1 1.843469 ppm2 2.304286 volume 49500000 weight 1.0
REMARK dnoe: 2.23035 position 2.203527 1.843469
ASSI { 875 }
( attr rmsd >= 1.783469 and attr rmsd <= 1.903469 )
(( attr rmsd >= 2.163527 and attr rmsd <= 2.243527 )
and bondedto ( attr rmsd >= 33.08334 and attr rmsd <= 34.68334 ))
2.5 2.5 0.2
peak 875 ppm1 1.843469 ppm2 2.203527 volume 61700000 weight 1.0
REMARK dnoe: 2.498781 position 1.863707 0.085525
ASSI { 876 }
( attr rmsd >= 0.025525 and attr rmsd <= 0.145525 )
(( attr rmsd >= 1.823707 and attr rmsd <= 1.903707 )
and bondedto ( attr rmsd >= 32.91600 and attr rmsd <= 34.51600 ))
2.5 2.5 0.2
peak 876 ppm1 0.085525 ppm2 1.863707 volume 31200000 weight 1.0
REMARK dnoe: 2.756849 position 3.833122 1.865016
ASSI { 877 }
( attr rmsd >= 1.805016 and attr rmsd <= 1.925016 )
(( attr rmsd >= 3.793122 and attr rmsd <= 3.873122 )
and bondedto ( attr rmsd >= 61.10374 and attr rmsd <= 62.70374 ))
3.0 3.0 0.5999999
peak 877 ppm1 1.865016 ppm2 3.833122 volume 17300000 weight 1.0
REMARK dnoe: 2.711742 position 3.833709 1.721665
ASSI { 878 }
( attr rmsd >= 1.661665 and attr rmsd <= 1.781665 )
(( attr rmsd >= 3.793709 and attr rmsd <= 3.873709 )
and bondedto ( attr rmsd >= 61.03571 and attr rmsd <= 62.63571 ))
3.0 3.0 0.5999999
peak 878 ppm1 1.721665 ppm2 3.833709 volume 19100000 weight 1.0
REMARK dnoe: 3.049173 position 3.834974 4.012328
ASSI { 879 }
( attr rmsd >= 3.952328 and attr rmsd <= 4.072328 )
(( attr rmsd >= 3.794974 and attr rmsd <= 3.874974 )
and bondedto ( attr rmsd >= 61.10134 and attr rmsd <= 62.70134 ))
3.6 3.6 1.4
peak 879 ppm1 4.012328 ppm2 3.834974 volume 9450000 weight 1.0
REMARK dnoe: 2.630963 position 4.490555 4.314391
ASSI { 880 }
( attr rmsd >= 4.254391 and attr rmsd <= 4.374391 )
(( attr rmsd >= 4.450555 and attr rmsd <= 4.530555 )
and bondedto ( attr rmsd >= 60.69644 and attr rmsd <= 62.29644 ))
3.0 3.0 0.5999999
peak 880 ppm1 4.314391 ppm2 4.490555 volume 22900000 weight 1.0
REMARK dnoe: 3.043297 position 4.040949 3.84251
ASSI { 881 }
( attr rmsd >= 3.78251 and attr rmsd <= 3.90251 )
(( attr rmsd >= 4.000949 and attr rmsd <= 4.080949 )
and bondedto ( attr rmsd >= 61.14552 and attr rmsd <= 62.74552 ))
3.6 3.6 1.4
peak 881 ppm1 3.84251 ppm2 4.040949 volume 9560000 weight 1.0
REMARK dnoe: 2.632883 position 4.48814 1.135132
ASSI { 882 }
( attr rmsd >= 1.075132 and attr rmsd <= 1.195132 )
(( attr rmsd >= 4.44814 and attr rmsd <= 4.52814 )
and bondedto ( attr rmsd >= 60.71897 and attr rmsd <= 62.31897 ))
3.0 3.0 0.5999999
peak 882 ppm1 1.135132 ppm2 4.48814 volume 22800000 weight 1.0
REMARK dnoe: 2.807795 position 1.723718 8.658424
ASSI { 883 }
( attr rmsd >= 8.598424 and attr rmsd <= 8.718425 )
(( attr rmsd >= 1.683718 and attr rmsd <= 1.763718 )
and bondedto ( attr rmsd >= 32.83485 and attr rmsd <= 34.43485 ))
3.0 3.0 0.5999999
peak 883 ppm1 8.658424 ppm2 1.723718 volume 15500000 weight 1.0
REMARK dnoe: 2.610471 position 1.840821 8.655353
ASSI { 884 }
( attr rmsd >= 8.595352 and attr rmsd <= 8.715353 )
(( attr rmsd >= 1.800821 and attr rmsd <= 1.880821 )
and bondedto ( attr rmsd >= 32.90747 and attr rmsd <= 34.50747 ))
3.0 3.0 0.5999999
peak 884 ppm1 8.655353 ppm2 1.840821 volume 24000000 weight 1.0
REMARK dnoe: 2.612288 position 1.322369 1.732685
ASSI { 885 }
( attr rmsd >= 1.672685 and attr rmsd <= 1.792685 )
(( attr rmsd >= 1.282369 and attr rmsd <= 1.362369 )
and bondedto ( attr rmsd >= 32.84819 and attr rmsd <= 34.44819 ))
3.0 3.0 0.5999999
peak 885 ppm1 1.732685 ppm2 1.322369 volume 23900000 weight 1.0
REMARK dnoe: 2.553459 position 1.729134 0.7059357
ASSI { 886 }
( attr rmsd >= 0.6459357 and attr rmsd <= 0.7659357 )
(( attr rmsd >= 1.689134 and attr rmsd <= 1.769134 )
and bondedto ( attr rmsd >= 32.96128 and attr rmsd <= 34.56128 ))
3.0 3.0 0.5999999
peak 886 ppm1 0.7059357 ppm2 1.729134 volume 27399998 weight 1.0
REMARK dnoe: 1.834897 position 2.072566 2.190968
ASSI { 887 }
( attr rmsd >= 2.130968 and attr rmsd <= 2.250968 )
(( attr rmsd >= 2.032566 and attr rmsd <= 2.112566 )
and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
2.5 2.5 0.2
peak 887 ppm1 2.190968 ppm2 2.072566 volume 199000000 weight 1.0
REMARK dnoe: 2.704708 position 1.84251 3.940405
ASSI { 888 }
( attr rmsd >= 3.880405 and attr rmsd <= 4.000405 )
(( attr rmsd >= 1.80251 and attr rmsd <= 1.88251 )
and bondedto ( attr rmsd >= 33.05162 and attr rmsd <= 34.65162 ))
3.0 3.0 0.5999999
peak 888 ppm1 3.940405 ppm2 1.84251 volume 19400000 weight 1.0
REMARK dnoe: 2.816956 position 1.84251 3.689234
ASSI { 889 }
( attr rmsd >= 3.629234 and attr rmsd <= 3.749234 )
(( attr rmsd >= 1.80251 and attr rmsd <= 1.88251 )
and bondedto ( attr rmsd >= 32.89347 and attr rmsd <= 34.49347 ))
3.0 3.0 0.5999999
peak 889 ppm1 3.689234 ppm2 1.84251 volume 15200000 weight 1.0
REMARK dnoe: 2.584227 position 2.199259 0.6552587
ASSI { 890 }
( attr rmsd >= 0.5952587 and attr rmsd <= 0.7152587 )
(( attr rmsd >= 2.159259 and attr rmsd <= 2.239259 )
and bondedto ( attr rmsd >= 32.98381 and attr rmsd <= 34.58381 ))
3.0 3.0 0.5999999
peak 890 ppm1 0.6552587 ppm2 2.199259 volume 25500000 weight 1.0
REMARK dnoe: 3.245402 position 1.919421 9.192541
ASSI { 891 }
( attr rmsd >= 9.132541 and attr rmsd <= 9.252542 )
(( attr rmsd >= 1.879421 and attr rmsd <= 1.959421 )
and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
3.6 3.6 1.4
peak 891 ppm1 9.192541 ppm2 1.919421 volume 6500000 weight 1.0
REMARK dnoe: 2.852446 position 1.904977 6.357707
ASSI { 892 }
( attr rmsd >= 6.297707 and attr rmsd <= 6.417707 )
(( attr rmsd >= 1.864977 and attr rmsd <= 1.944977 )
and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
3.0 3.0 0.5999999
peak 892 ppm1 6.357707 ppm2 1.904977 volume 14100000 weight 1.0
REMARK dnoe: 3.109621 position 1.739007 6.099081
ASSI { 893 }
( attr rmsd >= 6.039081 and attr rmsd <= 6.159081 )
(( attr rmsd >= 1.699007 and attr rmsd <= 1.779007 )
and bondedto ( attr rmsd >= 32.91600 and attr rmsd <= 34.51600 ))
3.6 3.6 1.4
peak 893 ppm1 6.099081 ppm2 1.739007 volume 8400000 weight 1.0
REMARK dnoe: 3.133055 position 2.192857 5.024254
ASSI { 894 }
( attr rmsd >= 4.964254 and attr rmsd <= 5.084254 )
(( attr rmsd >= 2.152857 and attr rmsd <= 2.232857 )
and bondedto ( attr rmsd >= 32.91775 and attr rmsd <= 34.51775 ))
3.6 3.6 1.4
peak 894 ppm1 5.024254 ppm2 2.192857 volume 0.803e+07 weight 1.0
REMARK dnoe: 3.045958 position 2.072941 5.022579
ASSI { 895 }
( attr rmsd >= 4.962579 and attr rmsd <= 5.082579 )
(( attr rmsd >= 2.032941 and attr rmsd <= 2.112941 )
and bondedto ( attr rmsd >= 32.88756 and attr rmsd <= 34.48756 ))
3.6 3.6 1.4
peak 895 ppm1 5.022579 ppm2 2.072941 volume 9510000 weight 1.0
REMARK dnoe: 3.366218 position 1.318922 6.089006
ASSI { 896 }
( attr rmsd >= 6.029006 and attr rmsd <= 6.149006 )
(( attr rmsd >= 1.278922 and attr rmsd <= 1.358922 )
and bondedto ( attr rmsd >= 32.93066 and attr rmsd <= 34.53066 ))
3.6 3.6 1.4
peak 896 ppm1 6.089006 ppm2 1.318922 volume 5220000 weight 1.0
REMARK dnoe: 2.619646 position 1.889431 4.972117
ASSI { 897 }
( attr rmsd >= 4.912117 and attr rmsd <= 5.032117 )
(( attr rmsd >= 1.849431 and attr rmsd <= 1.929431 )
and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
3.0 3.0 0.5999999
peak 897 ppm1 4.972117 ppm2 1.889431 volume 23500000 weight 1.0
REMARK dnoe: 2.466886 position 1.725922 4.2296
ASSI { 898 }
( attr rmsd >= 4.1696 and attr rmsd <= 4.2896 )
(( attr rmsd >= 1.685922 and attr rmsd <= 1.765922 )
and bondedto ( attr rmsd >= 32.71235 and attr rmsd <= 34.31235 ))
2.5 2.5 0.2
peak 898 ppm1 4.2296 ppm2 1.725922 volume 33700000 weight 1.0
REMARK dnoe: 3.197244 position 2.062037 4.266851
ASSI { 899 }
( attr rmsd >= 4.206851 and attr rmsd <= 4.326851 )
(( attr rmsd >= 2.022037 and attr rmsd <= 2.102037 )
and bondedto ( attr rmsd >= 32.89566 and attr rmsd <= 34.49566 ))
3.6 3.6 1.4
peak 899 ppm1 4.266851 ppm2 2.062037 volume 7110001 weight 1.0
REMARK dnoe: 2.751573 position 1.858548 3.821973
ASSI { 900 }
( attr rmsd >= 3.761973 and attr rmsd <= 3.881973 )
(( attr rmsd >= 1.818548 and attr rmsd <= 1.898548 )
and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
3.0 3.0 0.5999999
peak 900 ppm1 3.821973 ppm2 1.858548 volume 17500000 weight 1.0
REMARK dnoe: 2.991367 position 1.720458 3.685517
ASSI { 901 }
( attr rmsd >= 3.625517 and attr rmsd <= 3.745517 )
(( attr rmsd >= 1.680458 and attr rmsd <= 1.760458 )
and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
3.0 3.0 0.5999999
peak 901 ppm1 3.685517 ppm2 1.720458 volume 10600000 weight 1.0
REMARK dnoe: 3.147595 position 1.725922 3.940964
ASSI { 902 }
( attr rmsd >= 3.880964 and attr rmsd <= 4.000964 )
(( attr rmsd >= 1.685922 and attr rmsd <= 1.765922 )
and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
3.6 3.6 1.4
peak 902 ppm1 3.940964 ppm2 1.725922 volume 7810000 weight 1.0
REMARK dnoe: 3.491819 position 2.332776 3.586226
ASSI { 903 }
( attr rmsd >= 3.526226 and attr rmsd <= 3.646226 )
(( attr rmsd >= 2.292776 and attr rmsd <= 2.372776 )
and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
3.6 3.6 1.4
peak 903 ppm1 3.586226 ppm2 2.332776 volume 4190000 weight 1.0
REMARK dnoe: 3.03385 position 2.193631 4.258452
ASSI { 904 }
( attr rmsd >= 4.198452 and attr rmsd <= 4.318452 )
(( attr rmsd >= 2.153631 and attr rmsd <= 2.233631 )
and bondedto ( attr rmsd >= 33.09690 and attr rmsd <= 34.69690 ))
3.6 3.6 1.4
peak 904 ppm1 4.258452 ppm2 2.193631 volume 9740000 weight 1.0
REMARK dnoe: 3.412426 position 2.328133 3.700791
ASSI { 905 }
( attr rmsd >= 3.640791 and attr rmsd <= 3.760791 )
(( attr rmsd >= 2.288133 and attr rmsd <= 2.368133 )
and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
3.6 3.6 1.4
peak 905 ppm1 3.700791 ppm2 2.328133 volume 4810000 weight 1.0
REMARK dnoe: 2.697799 position 2.331744 4.535423
ASSI { 906 }
( attr rmsd >= 4.475423 and attr rmsd <= 4.595423 )
(( attr rmsd >= 2.291744 and attr rmsd <= 2.371744 )
and bondedto ( attr rmsd >= 32.85979 and attr rmsd <= 34.45979 ))
3.0 3.0 0.5999999
peak 906 ppm1 4.535423 ppm2 2.331744 volume 19700000 weight 1.0
REMARK dnoe: 2.32245 position 1.847059 4.718604
ASSI { 907 }
( attr rmsd >= 4.658604 and attr rmsd <= 4.778604 )
(( attr rmsd >= 1.807059 and attr rmsd <= 1.887059 )
and bondedto ( attr rmsd >= 32.88275 and attr rmsd <= 34.48275 ))
2.5 2.5 0.2
peak 907 ppm1 4.718604 ppm2 1.847059 volume 48400000 weight 1.0
REMARK dnoe: 2.324858 position 1.727376 4.721955
ASSI { 908 }
( attr rmsd >= 4.661955 and attr rmsd <= 4.781955 )
(( attr rmsd >= 1.687376 and attr rmsd <= 1.767376 )
and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
2.5 2.5 0.2
peak 908 ppm1 4.721955 ppm2 1.727376 volume 48100000 weight 1.0
REMARK dnoe: 2.422271 position 2.329892 1.810881
ASSI { 909 }
( attr rmsd >= 1.750881 and attr rmsd <= 1.870881 )
(( attr rmsd >= 2.289892 and attr rmsd <= 2.369892 )
and bondedto ( attr rmsd >= 32.81385 and attr rmsd <= 34.41385 ))
2.5 2.5 0.2
peak 909 ppm1 1.810881 ppm2 2.329892 volume 37600000 weight 1.0
REMARK dnoe: 2.52942 position 2.33165 2.016854
ASSI { 910 }
( attr rmsd >= 1.956854 and attr rmsd <= 2.076854 )
(( attr rmsd >= 2.29165 and attr rmsd <= 2.37165 )
and bondedto ( attr rmsd >= 32.85979 and attr rmsd <= 34.45979 ))
3.0 3.0 0.5999999
peak 910 ppm1 2.016854 ppm2 2.33165 volume 29000000 weight 1.0
REMARK dnoe: 2.304549 position 2.065882 1.766112
ASSI { 911 }
( attr rmsd >= 1.706112 and attr rmsd <= 1.826112 )
(( attr rmsd >= 2.025882 and attr rmsd <= 2.105882 )
and bondedto ( attr rmsd >= 32.95188 and attr rmsd <= 34.55188 ))
2.5 2.5 0.2
peak 911 ppm1 1.766112 ppm2 2.065882 volume 50700004 weight 1.0
REMARK dnoe: 1.952693 position 1.727681 1.40568
ASSI { 912 }
( attr rmsd >= 1.34568 and attr rmsd <= 1.46568 )
(( attr rmsd >= 1.687681 and attr rmsd <= 1.767681 )
and bondedto ( attr rmsd >= 32.74473 and attr rmsd <= 34.34473 ))
2.5 2.5 0.2
peak 912 ppm1 1.40568 ppm2 1.727681 volume 137000000 weight 1.0
REMARK dnoe: 3.67362 position 1.322556 2.47359
ASSI { 913 }
( attr rmsd >= 2.41359 and attr rmsd <= 2.53359 )
(( attr rmsd >= 1.282556 and attr rmsd <= 1.362556 )
and bondedto ( attr rmsd >= 32.89850 and attr rmsd <= 34.49850 ))
4.2 4.2 1.8
peak 913 ppm1 2.47359 ppm2 1.322556 volume 0.309e+07 weight 1.0
REMARK dnoe: 3.520399 position 1.318945 2.634063
ASSI { 914 }
( attr rmsd >= 2.574063 and attr rmsd <= 2.694063 )
(( attr rmsd >= 1.278945 and attr rmsd <= 1.358945 )
and bondedto ( attr rmsd >= 32.86110 and attr rmsd <= 34.46110 ))
3.6 3.6 1.4
peak 914 ppm1 2.634063 ppm2 1.318945 volume 3990000 weight 1.0
REMARK dnoe: 4.108133 position 1.309917 2.963388
ASSI { 915 }
( attr rmsd >= 2.903388 and attr rmsd <= 3.023388 )
(( attr rmsd >= 1.269917 and attr rmsd <= 1.349917 )
and bondedto ( attr rmsd >= 32.89325 and attr rmsd <= 34.49325 ))
4.2 4.2 1.8
peak 915 ppm1 2.963388 ppm2 1.309917 volume 0.158e+07 weight 1.0
REMARK dnoe: 4.289046 position 1.304477 2.792882
ASSI { 916 }
( attr rmsd >= 2.732882 and attr rmsd <= 2.852882 )
(( attr rmsd >= 1.264477 and attr rmsd <= 1.344477 )
and bondedto ( attr rmsd >= 32.84600 and attr rmsd <= 34.44600 ))
4.2 4.2 1.8
peak 916 ppm1 2.792882 ppm2 1.304477 volume 1220000 weight 1.0
REMARK dnoe: 3.135011 position 1.729486 2.476941
ASSI { 917 }
( attr rmsd >= 2.416941 and attr rmsd <= 2.536941 )
(( attr rmsd >= 1.689486 and attr rmsd <= 1.769486 )
and bondedto ( attr rmsd >= 32.87204 and attr rmsd <= 34.47204 ))
3.6 3.6 1.4
peak 917 ppm1 2.476941 ppm2 1.729486 volume 8000000 weight 1.0
REMARK dnoe: 3.333003 position 1.733097 2.635739
ASSI { 918 }
( attr rmsd >= 2.575739 and attr rmsd <= 2.695739 )
(( attr rmsd >= 1.693097 and attr rmsd <= 1.773097 )
and bondedto ( attr rmsd >= 32.82698 and attr rmsd <= 34.42698 ))
3.6 3.6 1.4
peak 918 ppm1 2.635739 ppm2 1.733097 volume 5540000 weight 1.0
REMARK dnoe: 3.405382 position 1.742149 2.807125
ASSI { 919 }
( attr rmsd >= 2.747125 and attr rmsd <= 2.867125 )
(( attr rmsd >= 1.702149 and attr rmsd <= 1.782149 )
and bondedto ( attr rmsd >= 32.81385 and attr rmsd <= 34.41385 ))
3.6 3.6 1.4
peak 919 ppm1 2.807125 ppm2 1.742149 volume 4870000 weight 1.0
REMARK dnoe: 2.982062 position 1.734926 2.961605
ASSI { 920 }
( attr rmsd >= 2.901605 and attr rmsd <= 3.021605 )
(( attr rmsd >= 1.694926 and attr rmsd <= 1.774926 )
and bondedto ( attr rmsd >= 32.76791 and attr rmsd <= 34.36791 ))
3.0 3.0 0.5999999
peak 920 ppm1 2.961605 ppm2 1.734926 volume 10800000 weight 1.0
REMARK dnoe: 2.533808 position 2.072237 0.6643033
ASSI { 921 }
( attr rmsd >= 0.6043033 and attr rmsd <= 0.7243033 )
(( attr rmsd >= 2.032237 and attr rmsd <= 2.112237 )
and bondedto ( attr rmsd >= 32.91141 and attr rmsd <= 34.51141 ))
3.0 3.0 0.5999999
peak 921 ppm1 0.6643033 ppm2 2.072237 volume 28700000 weight 1.0
REMARK dnoe: 1.974933 position 1.870226 0.7181592
ASSI { 922 }
( attr rmsd >= 0.6581592 and attr rmsd <= 0.7781592 )
(( attr rmsd >= 1.830226 and attr rmsd <= 1.910226 )
and bondedto ( attr rmsd >= 32.97485 and attr rmsd <= 34.57485 ))
2.5 2.5 0.2
peak 922 ppm1 0.7181592 ppm2 1.870226 volume 128000008 weight 1.0
REMARK dnoe: 3.51893 position 4.564958 4.228376
ASSI { 923 }
( attr rmsd >= 4.168376 and attr rmsd <= 4.288376 )
(( attr rmsd >= 4.524958 and attr rmsd <= 4.604958 )
and bondedto ( attr rmsd >= 60.67151 and attr rmsd <= 62.27151 ))
3.6 3.6 1.4
peak 923 ppm1 4.228376 ppm2 4.564958 volume 4000000 weight 1.0
REMARK dnoe: 2.574229 position 4.25595 8.467812
ASSI { 924 }
( attr rmsd >= 8.407811 and attr rmsd <= 8.527812 )
(( attr rmsd >= 4.21595 and attr rmsd <= 4.29595 )
and bondedto ( attr rmsd >= 60.19115 and attr rmsd <= 61.79115 ))
3.0 3.0 0.5999999
peak 924 ppm1 8.467812 ppm2 4.25595 volume 26100000 weight 1.0
REMARK dnoe: 2.842455 position 4.260921 8.335008
ASSI { 925 }
( attr rmsd >= 8.275007 and attr rmsd <= 8.395008 )
(( attr rmsd >= 4.220921 and attr rmsd <= 4.300921 )
and bondedto ( attr rmsd >= 60.22483 and attr rmsd <= 61.82483 ))
3.0 3.0 0.5999999
peak 925 ppm1 8.335008 ppm2 4.260921 volume 14399999 weight 1.0
REMARK dnoe: 2.530877 position 4.13608 8.044523
ASSI { 926 }
( attr rmsd >= 7.984523 and attr rmsd <= 8.104524 )
(( attr rmsd >= 4.09608 and attr rmsd <= 4.17608 )
and bondedto ( attr rmsd >= 60.18021 and attr rmsd <= 61.78021 ))
3.0 3.0 0.5999999
peak 926 ppm1 8.044523 ppm2 4.13608 volume 28900000 weight 1.0
REMARK dnoe: 2.399423 position 4.323881 2.273782
ASSI { 927 }
( attr rmsd >= 2.213782 and attr rmsd <= 2.333782 )
(( attr rmsd >= 4.283881 and attr rmsd <= 4.363881 )
and bondedto ( attr rmsd >= 60.01746 and attr rmsd <= 61.61746 ))
2.5 2.5 0.2
peak 927 ppm1 2.273782 ppm2 4.323881 volume 39800000 weight 1.0
REMARK dnoe: 2.759514 position 4.561535 1.157967
ASSI { 928 }
( attr rmsd >= 1.097967 and attr rmsd <= 1.217967 )
(( attr rmsd >= 4.521535 and attr rmsd <= 4.601535 )
and bondedto ( attr rmsd >= 60.69622 and attr rmsd <= 62.29622 ))
3.0 3.0 0.5999999
peak 928 ppm1 1.157967 ppm2 4.561535 volume 17200000 weight 1.0
REMARK dnoe: 2.490861 position 4.139316 0.8941214
ASSI { 929 }
( attr rmsd >= 0.8341214 and attr rmsd <= 0.9541214 )
(( attr rmsd >= 4.099316 and attr rmsd <= 4.179316 )
and bondedto ( attr rmsd >= 60.09490 and attr rmsd <= 61.69490 ))
2.5 2.5 0.2
peak 929 ppm1 0.8941214 ppm2 4.139316 volume 31799998 weight 1.0
REMARK dnoe: 2.203781 position 4.327681 0.7899749
ASSI { 930 }
( attr rmsd >= 0.7299749 and attr rmsd <= 0.8499749 )
(( attr rmsd >= 4.287681 and attr rmsd <= 4.367681 )
and bondedto ( attr rmsd >= 60.08002 and attr rmsd <= 61.68002 ))
2.5 2.5 0.2
peak 930 ppm1 0.7899749 ppm2 4.327681 volume 66300000 weight 1.0
REMARK dnoe: 2.375184 position 4.258554 0.7639167
ASSI { 931 }
( attr rmsd >= 0.7039167 and attr rmsd <= 0.8239167 )
(( attr rmsd >= 4.218554 and attr rmsd <= 4.298554 )
and bondedto ( attr rmsd >= 60.24692 and attr rmsd <= 61.84692 ))
2.5 2.5 0.2
peak 931 ppm1 0.7639167 ppm2 4.258554 volume 42300000 weight 1.0
REMARK dnoe: 2.741228 position 4.258554 0.633841
ASSI { 932 }
( attr rmsd >= 0.573841 and attr rmsd <= 0.693841 )
(( attr rmsd >= 4.218554 and attr rmsd <= 4.298554 )
and bondedto ( attr rmsd >= 60.25786 and attr rmsd <= 61.85786 ))
3.0 3.0 0.5999999
peak 932 ppm1 0.633841 ppm2 4.258554 volume 17900000 weight 1.0
REMARK dnoe: 3.027665 position 1.760556 8.386909
ASSI { 933 }
( attr rmsd >= 8.326908 and attr rmsd <= 8.446909 )
(( attr rmsd >= 1.720556 and attr rmsd <= 1.800556 )
and bondedto ( attr rmsd >= 32.53780 and attr rmsd <= 34.13780 ))
3.6 3.6 1.4
peak 933 ppm1 8.386909 ppm2 1.760556 volume 9860000 weight 1.0
REMARK dnoe: 2.842455 position 1.745901 7.223983
ASSI { 934 }
( attr rmsd >= 7.163983 and attr rmsd <= 7.283983 )
(( attr rmsd >= 1.705901 and attr rmsd <= 1.785901 )
and bondedto ( attr rmsd >= 32.62989 and attr rmsd <= 34.22989 ))
3.0 3.0 0.5999999
peak 934 ppm1 7.223983 ppm2 1.745901 volume 14399999 weight 1.0
REMARK dnoe: 3.462164 position 1.306353 7.235799
ASSI { 935 }
( attr rmsd >= 7.175799 and attr rmsd <= 7.295799 )
(( attr rmsd >= 1.266353 and attr rmsd <= 1.346353 )
and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
3.6 3.6 1.4
peak 935 ppm1 7.235799 ppm2 1.306353 volume 4410000 weight 1.0
REMARK dnoe: 3.428044 position 2.060935 7.213843
ASSI { 936 }
( attr rmsd >= 7.153843 and attr rmsd <= 7.273843 )
(( attr rmsd >= 2.020935 and attr rmsd <= 2.100935 )
and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
3.6 3.6 1.4
peak 936 ppm1 7.213843 ppm2 2.060935 volume 4680000 weight 1.0
REMARK dnoe: 3.391595 position 2.196281 7.195261
ASSI { 937 }
( attr rmsd >= 7.135261 and attr rmsd <= 7.255261 )
(( attr rmsd >= 2.156281 and attr rmsd <= 2.236281 )
and bondedto ( attr rmsd >= 32.91163 and attr rmsd <= 34.51163 ))
3.6 3.6 1.4
peak 937 ppm1 7.195261 ppm2 2.196281 volume 4990000 weight 1.0
REMARK dnoe: 2.982062 position 2.334441 4.33712
ASSI { 938 }
( attr rmsd >= 4.27712 and attr rmsd <= 4.39712 )
(( attr rmsd >= 2.294441 and attr rmsd <= 2.374441 )
and bondedto ( attr rmsd >= 32.74473 and attr rmsd <= 34.34473 ))
3.0 3.0 0.5999999
peak 938 ppm1 4.33712 ppm2 2.334441 volume 10800000 weight 1.0
REMARK dnoe: 2.887634 position 1.936398 3.843799
ASSI { 939 }
( attr rmsd >= 3.783799 and attr rmsd <= 3.903799 )
(( attr rmsd >= 1.896398 and attr rmsd <= 1.976398 )
and bondedto ( attr rmsd >= 32.58395 and attr rmsd <= 34.18395 ))
3.0 3.0 0.5999999
peak 939 ppm1 3.843799 ppm2 1.936398 volume 13100000 weight 1.0
REMARK dnoe: 1.972373 position 2.194921 2.058422
ASSI { 940 }
( attr rmsd >= 1.998422 and attr rmsd <= 2.118422 )
(( attr rmsd >= 2.154921 and attr rmsd <= 2.234921 )
and bondedto ( attr rmsd >= 32.75129 and attr rmsd <= 34.35129 ))
2.5 2.5 0.2
peak 940 ppm1 2.058422 ppm2 2.194921 volume 128999992 weight 1.0
REMARK dnoe: 3.068975 position 2.203527 0.8618119
ASSI { 941 }
( attr rmsd >= 0.8018119 and attr rmsd <= 0.9218119 )
(( attr rmsd >= 2.163527 and attr rmsd <= 2.243527 )
and bondedto ( attr rmsd >= 32.90572 and attr rmsd <= 34.50572 ))
3.6 3.6 1.4
peak 941 ppm1 0.8618119 ppm2 2.203527 volume 9090000 weight 1.0
REMARK dnoe: 2.283994 position 1.31252 1.416186
ASSI { 942 }
( attr rmsd >= 1.356186 and attr rmsd <= 1.476186 )
(( attr rmsd >= 1.27252 and attr rmsd <= 1.35252 )
and bondedto ( attr rmsd >= 32.74691 and attr rmsd <= 34.34691 ))
2.5 2.5 0.2
peak 942 ppm1 1.416186 ppm2 1.31252 volume 53500004 weight 1.0
REMARK dnoe: 2.211634 position 1.507567 1.202565
ASSI { 943 }
( attr rmsd >= 1.142565 and attr rmsd <= 1.262565 )
(( attr rmsd >= 1.467567 and attr rmsd <= 1.547567 )
and bondedto ( attr rmsd >= 32.21580 and attr rmsd <= 33.81580 ))
2.5 2.5 0.2
peak 943 ppm1 1.202565 ppm2 1.507567 volume 64900000 weight 1.0
REMARK dnoe: 2.733645 position 2.014905 2.335007
ASSI { 944 }
( attr rmsd >= 2.275007 and attr rmsd <= 2.395007 )
(( attr rmsd >= 1.974905 and attr rmsd <= 2.054905 )
and bondedto ( attr rmsd >= 32.72001 and attr rmsd <= 34.32001 ))
3.0 3.0 0.5999999
peak 944 ppm1 2.335007 ppm2 2.014905 volume 18200000 weight 1.0
REMARK dnoe: 2.648603 position 1.806773 2.335544
ASSI { 945 }
( attr rmsd >= 2.275544 and attr rmsd <= 2.395544 )
(( attr rmsd >= 1.766773 and attr rmsd <= 1.846773 )
and bondedto ( attr rmsd >= 32.69617 and attr rmsd <= 34.29617 ))
3.0 3.0 0.5999999
peak 945 ppm1 2.335544 ppm2 1.806773 volume 22000000 weight 1.0
REMARK dnoe: 2.968476 position 1.514625 8.942657
ASSI { 946 }
( attr rmsd >= 8.882657 and attr rmsd <= 9.002658 )
(( attr rmsd >= 1.474625 and attr rmsd <= 1.554625 )
and bondedto ( attr rmsd >= 32.30789 and attr rmsd <= 33.90789 ))
3.0 3.0 0.5999999
peak 946 ppm1 8.942657 ppm2 1.514625 volume 11100000 weight 1.0
REMARK dnoe: 2.991367 position 1.206579 8.94558
ASSI { 947 }
( attr rmsd >= 8.885579 and attr rmsd <= 9.00558 )
(( attr rmsd >= 1.166579 and attr rmsd <= 1.246579 )
and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
3.0 3.0 0.5999999
peak 947 ppm1 8.94558 ppm2 1.206579 volume 10600000 weight 1.0
REMARK dnoe: 3.214815 position 4.260054 5.023674
ASSI { 948 }
( attr rmsd >= 4.963674 and attr rmsd <= 5.083674 )
(( attr rmsd >= 4.220054 and attr rmsd <= 4.300054 )
and bondedto ( attr rmsd >= 60.25064 and attr rmsd <= 61.85064 ))
3.6 3.6 1.4
peak 948 ppm1 5.023674 ppm2 4.260054 volume 6880000 weight 1.0
REMARK dnoe: 3.284441 position 4.321701 8.022289
ASSI { 949 }
( attr rmsd >= 7.962289 and attr rmsd <= 8.08229 )
(( attr rmsd >= 4.281701 and attr rmsd <= 4.361701 )
and bondedto ( attr rmsd >= 60.01615 and attr rmsd <= 61.61615 ))
3.6 3.6 1.4
peak 949 ppm1 8.022289 ppm2 4.321701 volume 6050000 weight 1.0
REMARK dnoe: 3.437909 position 4.321701 7.883341
ASSI { 950 }
( attr rmsd >= 7.823341 and attr rmsd <= 7.943341 )
(( attr rmsd >= 4.281701 and attr rmsd <= 4.361701 )
and bondedto ( attr rmsd >= 60.06034 and attr rmsd <= 61.66034 ))
3.6 3.6 1.4
peak 950 ppm1 7.883341 ppm2 4.321701 volume 4600000 weight 1.0
REMARK dnoe: 2.835928 position 4.137347 3.648761
ASSI { 952 }
( attr rmsd >= 3.588761 and attr rmsd <= 3.708761 )
(( attr rmsd >= 4.097347 and attr rmsd <= 4.177347 )
and bondedto ( attr rmsd >= 60.04262 and attr rmsd <= 61.64262 ))
3.0 3.0 0.5999999
peak 952 ppm1 3.648761 ppm2 4.137347 volume 14600000 weight 1.0
REMARK dnoe: 2.996096 position 4.260007 1.263425
ASSI { 953 }
( attr rmsd >= 1.203425 and attr rmsd <= 1.323425 )
(( attr rmsd >= 4.220007 and attr rmsd <= 4.300007 )
and bondedto ( attr rmsd >= 60.06777 and attr rmsd <= 61.66777 ))
3.0 3.0 0.5999999
peak 953 ppm1 1.263425 ppm2 4.260007 volume 10500000 weight 1.0
REMARK dnoe: 3.055129 position 4.140184 1.22235
ASSI { 954 }
( attr rmsd >= 1.16235 and attr rmsd <= 1.28235 )
(( attr rmsd >= 4.100184 and attr rmsd <= 4.180184 )
and bondedto ( attr rmsd >= 60.03693 and attr rmsd <= 61.63693 ))
3.6 3.6 1.4
peak 954 ppm1 1.22235 ppm2 4.140184 volume 9340000 weight 1.0
REMARK dnoe: 2.42013 position 4.260101 0.8759046
ASSI { 955 }
( attr rmsd >= 0.8159046 and attr rmsd <= 0.9359046 )
(( attr rmsd >= 4.220101 and attr rmsd <= 4.300101 )
and bondedto ( attr rmsd >= 60.21455 and attr rmsd <= 61.81455 ))
2.5 2.5 0.2
peak 955 ppm1 0.8759046 ppm2 4.260101 volume 37800000 weight 1.0
REMARK dnoe: 3.040653 position 1.936562 7.192877
ASSI { 956 }
( attr rmsd >= 7.132877 and attr rmsd <= 7.252877 )
(( attr rmsd >= 1.896562 and attr rmsd <= 1.976562 )
and bondedto ( attr rmsd >= 32.51483 and attr rmsd <= 34.11483 ))
3.6 3.6 1.4
peak 956 ppm1 7.192877 ppm2 1.936562 volume 9610000 weight 1.0
REMARK dnoe: 3.410066 position 1.772585 7.044519
ASSI { 957 }
( attr rmsd >= 6.984519 and attr rmsd <= 7.104519 )
(( attr rmsd >= 1.732585 and attr rmsd <= 1.812585 )
and bondedto ( attr rmsd >= 32.30549 and attr rmsd <= 33.90549 ))
3.6 3.6 1.4
peak 957 ppm1 7.044519 ppm2 1.772585 volume 4830000 weight 1.0
REMARK dnoe: 3.252107 position 1.932037 7.042565
ASSI { 958 }
( attr rmsd >= 6.982565 and attr rmsd <= 7.102565 )
(( attr rmsd >= 1.892037 and attr rmsd <= 1.972037 )
and bondedto ( attr rmsd >= 32.32999 and attr rmsd <= 33.92999 ))
3.6 3.6 1.4
peak 958 ppm1 7.042565 ppm2 1.932037 volume 6420000 weight 1.0
REMARK dnoe: 2.558149 position 2.03439 5.147821
ASSI { 959 }
( attr rmsd >= 5.087821 and attr rmsd <= 5.207821 )
(( attr rmsd >= 1.99439 and attr rmsd <= 2.07439 )
and bondedto ( attr rmsd >= 31.78488 and attr rmsd <= 33.38488 ))
3.0 3.0 0.5999999
peak 959 ppm1 5.147821 ppm2 2.03439 volume 27100000 weight 1.0
REMARK dnoe: 2.880351 position 1.780042 3.842166
ASSI { 961 }
( attr rmsd >= 3.782166 and attr rmsd <= 3.902166 )
(( attr rmsd >= 1.740042 and attr rmsd <= 1.820042 )
and bondedto ( attr rmsd >= 32.53780 and attr rmsd <= 34.13780 ))
3.0 3.0 0.5999999
peak 961 ppm1 3.842166 ppm2 1.780042 volume 13300000 weight 1.0
REMARK dnoe: 3.076352 position 1.518354 3.819738
ASSI { 962 }
( attr rmsd >= 3.759738 and attr rmsd <= 3.879738 )
(( attr rmsd >= 1.478354 and attr rmsd <= 1.558354 )
and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
3.6 3.6 1.4
peak 962 ppm1 3.819738 ppm2 1.518354 volume 8960000 weight 1.0
REMARK dnoe: 3.047027 position 1.217529 3.821457
ASSI { 963 }
( attr rmsd >= 3.761457 and attr rmsd <= 3.881457 )
(( attr rmsd >= 1.177529 and attr rmsd <= 1.257529 )
and bondedto ( attr rmsd >= 32.16987 and attr rmsd <= 33.76987 ))
3.6 3.6 1.4
peak 963 ppm1 3.821457 ppm2 1.217529 volume 9490000 weight 1.0
REMARK dnoe: 3.238792 position 1.501236 4.357936
ASSI { 964 }
( attr rmsd >= 4.297936 and attr rmsd <= 4.417936 )
(( attr rmsd >= 1.461236 and attr rmsd <= 1.541236 )
and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
3.6 3.6 1.4
peak 964 ppm1 4.357936 ppm2 1.501236 volume 6580000 weight 1.0
REMARK dnoe: 3.581269 position 1.229535 4.378645
ASSI { 965 }
( attr rmsd >= 4.318645 and attr rmsd <= 4.438645 )
(( attr rmsd >= 1.189535 and attr rmsd <= 1.269535 )
and bondedto ( attr rmsd >= 32.15827 and attr rmsd <= 33.75827 ))
3.6 3.6 1.4
peak 965 ppm1 4.378645 ppm2 1.229535 volume 0.36e+07 weight 1.0
REMARK dnoe: 2.575877 position 1.868092 4.571836
ASSI { 966 }
( attr rmsd >= 4.511836 and attr rmsd <= 4.631836 )
(( attr rmsd >= 1.828092 and attr rmsd <= 1.908092 )
and bondedto ( attr rmsd >= 31.87085 and attr rmsd <= 33.47085 ))
3.0 3.0 0.5999999
peak 966 ppm1 4.571836 ppm2 1.868092 volume 26000000 weight 1.0
REMARK dnoe: 2.756849 position 2.03214 3.21239
ASSI { 967 }
( attr rmsd >= 3.15239 and attr rmsd <= 3.27239 )
(( attr rmsd >= 1.99214 and attr rmsd <= 2.07214 )
and bondedto ( attr rmsd >= 31.80741 and attr rmsd <= 33.40741 ))
3.0 3.0 0.5999999
peak 967 ppm1 3.21239 ppm2 2.03214 volume 17300000 weight 1.0
REMARK dnoe: 2.784343 position 1.770358 3.203303
ASSI { 968 }
( attr rmsd >= 3.143303 and attr rmsd <= 3.263303 )
(( attr rmsd >= 1.730358 and attr rmsd <= 1.810358 )
and bondedto ( attr rmsd >= 31.85269 and attr rmsd <= 33.45269 ))
3.0 3.0 0.5999999
peak 968 ppm1 3.203303 ppm2 1.770358 volume 16300000 weight 1.0
REMARK dnoe: 3.329009 position 1.514907 2.873333
ASSI { 969 }
( attr rmsd >= 2.813333 and attr rmsd <= 2.933333 )
(( attr rmsd >= 1.474907 and attr rmsd <= 1.554907 )
and bondedto ( attr rmsd >= 32.28493 and attr rmsd <= 33.88493 ))
3.6 3.6 1.4
peak 969 ppm1 2.873333 ppm2 1.514907 volume 5580001 weight 1.0
REMARK dnoe: 3.464787 position 1.214082 2.854343
ASSI { 970 }
( attr rmsd >= 2.794343 and attr rmsd <= 2.914343 )
(( attr rmsd >= 1.174082 and attr rmsd <= 1.254082 )
and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
3.6 3.6 1.4
peak 970 ppm1 2.854343 ppm2 1.214082 volume 4390000 weight 1.0
REMARK dnoe: 3.430492 position 1.517345 2.209206
ASSI { 971 }
( attr rmsd >= 2.149206 and attr rmsd <= 2.269206 )
(( attr rmsd >= 1.477345 and attr rmsd <= 1.557345 )
and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
3.6 3.6 1.4
peak 971 ppm1 2.209206 ppm2 1.517345 volume 4660000 weight 1.0
REMARK dnoe: 3.382616 position 1.218983 2.210925
ASSI { 972 }
( attr rmsd >= 2.150925 and attr rmsd <= 2.270925 )
(( attr rmsd >= 1.178983 and attr rmsd <= 1.258983 )
and bondedto ( attr rmsd >= 32.10096 and attr rmsd <= 33.70096 ))
3.6 3.6 1.4
peak 972 ppm1 2.210925 ppm2 1.218983 volume 5070001 weight 1.0
REMARK dnoe: 1.980123 position 2.024824 2.187681
ASSI { 973 }
( attr rmsd >= 2.127681 and attr rmsd <= 2.247681 )
(( attr rmsd >= 1.984824 and attr rmsd <= 2.064824 )
and bondedto ( attr rmsd >= 31.83235 and attr rmsd <= 33.43235 ))
2.5 2.5 0.2
peak 973 ppm1 2.187681 ppm2 2.024824 volume 126000000 weight 1.0
REMARK dnoe: 1.977516 position 1.857141 2.166564
ASSI { 974 }
( attr rmsd >= 2.106564 and attr rmsd <= 2.226564 )
(( attr rmsd >= 1.817141 and attr rmsd <= 1.897141 )
and bondedto ( attr rmsd >= 31.91350 and attr rmsd <= 33.51350 ))
2.5 2.5 0.2
peak 974 ppm1 2.166564 ppm2 1.857141 volume 127000008 weight 1.0
REMARK dnoe: 1.771188 position 1.775118 1.927358
ASSI { 975 }
( attr rmsd >= 1.867358 and attr rmsd <= 1.987358 )
(( attr rmsd >= 1.735118 and attr rmsd <= 1.815118 )
and bondedto ( attr rmsd >= 32.45051 and attr rmsd <= 34.05051 ))
2.5 2.5 0.2
peak 975 ppm1 1.927358 ppm2 1.775118 volume 246000000 weight 1.0
REMARK dnoe: 1.739651 position 1.935155 1.769699
ASSI { 976 }
( attr rmsd >= 1.709699 and attr rmsd <= 1.829699 )
(( attr rmsd >= 1.895155 and attr rmsd <= 1.975155 )
and bondedto ( attr rmsd >= 32.48573 and attr rmsd <= 34.08573 ))
2.5 2.5 0.2
peak 976 ppm1 1.769699 ppm2 1.935155 volume 274000000 weight 1.0
REMARK dnoe: 2.191823 position 1.935155 1.614575
ASSI { 977 }
( attr rmsd >= 1.554575 and attr rmsd <= 1.674575 )
(( attr rmsd >= 1.895155 and attr rmsd <= 1.975155 )
and bondedto ( attr rmsd >= 32.53932 and attr rmsd <= 34.13932 ))
2.5 2.5 0.2
peak 977 ppm1 1.614575 ppm2 1.935155 volume 68500000 weight 1.0
REMARK dnoe: 2.721325 position 1.512139 1.715864
ASSI { 978 }
( attr rmsd >= 1.655864 and attr rmsd <= 1.775864 )
(( attr rmsd >= 1.472139 and attr rmsd <= 1.552139 )
and bondedto ( attr rmsd >= 32.10315 and attr rmsd <= 33.70315 ))
3.0 3.0 0.5999999
peak 978 ppm1 1.715864 ppm2 1.512139 volume 18700000 weight 1.0
REMARK dnoe: 2.762197 position 1.514954 0.770426
ASSI { 981 }
( attr rmsd >= 0.710426 and attr rmsd <= 0.830426 )
(( attr rmsd >= 1.474954 and attr rmsd <= 1.554954 )
and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
3.0 3.0 0.5999999
peak 981 ppm1 0.770426 ppm2 1.514954 volume 17100000 weight 1.0
REMARK dnoe: 2.880351 position 1.211409 0.7493088
ASSI { 982 }
( attr rmsd >= 0.6893088 and attr rmsd <= 0.8093088 )
(( attr rmsd >= 1.171409 and attr rmsd <= 1.251409 )
and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
3.0 3.0 0.5999999
peak 982 ppm1 0.7493088 ppm2 1.211409 volume 13300000 weight 1.0
REMARK dnoe: 2.359637 position 1.213871 1.4993
ASSI { 983 }
( attr rmsd >= 1.4393 and attr rmsd <= 1.5593 )
(( attr rmsd >= 1.173871 and attr rmsd <= 1.253871 )
and bondedto ( attr rmsd >= 32.21580 and attr rmsd <= 33.81580 ))
2.5 2.5 0.2
peak 983 ppm1 1.4993 ppm2 1.213871 volume 44000000 weight 1.0
REMARK dnoe: 3.420773 position 1.21434 1.701772
ASSI { 984 }
( attr rmsd >= 1.641772 and attr rmsd <= 1.761772 )
(( attr rmsd >= 1.17434 and attr rmsd <= 1.25434 )
and bondedto ( attr rmsd >= 32.18868 and attr rmsd <= 33.78868 ))
3.6 3.6 1.4
peak 984 ppm1 1.701772 ppm2 1.21434 volume 4740000 weight 1.0
REMARK dnoe: 2.707039 position 4.885925 9.085386
ASSI { 985 }
( attr rmsd >= 9.025386 and attr rmsd <= 9.145387 )
(( attr rmsd >= 4.845925 and attr rmsd <= 4.925925 )
and bondedto ( attr rmsd >= 59.58195 and attr rmsd <= 61.18195 ))
3.0 3.0 0.5999999
peak 985 ppm1 9.085386 ppm2 4.885925 volume 19300000 weight 1.0
REMARK dnoe: 2.767618 position 3.992292 8.541217
ASSI { 987 }
( attr rmsd >= 8.481216 and attr rmsd <= 8.601217 )
(( attr rmsd >= 3.952292 and attr rmsd <= 4.032292 )
and bondedto ( attr rmsd >= 59.44195 and attr rmsd <= 61.04195 ))
3.0 3.0 0.5999999
peak 987 ppm1 8.541217 ppm2 3.992292 volume 16900000 weight 1.0
REMARK dnoe: 3.366218 position 3.997005 7.96158
ASSI { 988 }
( attr rmsd >= 7.90158 and attr rmsd <= 8.02158 )
(( attr rmsd >= 3.957005 and attr rmsd <= 4.037005 )
and bondedto ( attr rmsd >= 59.55854 and attr rmsd <= 61.15854 ))
3.6 3.6 1.4
peak 988 ppm1 7.96158 ppm2 3.997005 volume 5220000 weight 1.0
REMARK dnoe: 3.176727 position 3.737967 8.370711
ASSI { 990 }
( attr rmsd >= 8.310711 and attr rmsd <= 8.430712 )
(( attr rmsd >= 3.697967 and attr rmsd <= 3.777967 )
and bondedto ( attr rmsd >= 59.49401 and attr rmsd <= 61.09401 ))
3.6 3.6 1.4
peak 990 ppm1 8.370711 ppm2 3.737967 volume 7390000 weight 1.0
REMARK dnoe: 3.424395 position 3.739468 8.049314
ASSI { 991 }
( attr rmsd >= 7.989314 and attr rmsd <= 8.109314 )
(( attr rmsd >= 3.699468 and attr rmsd <= 3.779468 )
and bondedto ( attr rmsd >= 59.40717 and attr rmsd <= 61.00717 ))
3.6 3.6 1.4
peak 991 ppm1 8.049314 ppm2 3.739468 volume 4710000 weight 1.0
REMARK dnoe: 3.532302 position 3.742422 6.552101
ASSI { 992 }
( attr rmsd >= 6.492101 and attr rmsd <= 6.612101 )
(( attr rmsd >= 3.702422 and attr rmsd <= 3.782422 )
and bondedto ( attr rmsd >= 59.56641 and attr rmsd <= 61.16641 ))
3.6 3.6 1.4
peak 992 ppm1 6.552101 ppm2 3.742422 volume 3910000 weight 1.0
REMARK dnoe: 2.968476 position 3.990886 4.595016
ASSI { 993 }
( attr rmsd >= 4.535016 and attr rmsd <= 4.655016 )
(( attr rmsd >= 3.950886 and attr rmsd <= 4.030886 )
and bondedto ( attr rmsd >= 59.57144 and attr rmsd <= 61.17144 ))
3.0 3.0 0.5999999
peak 993 ppm1 4.595016 ppm2 3.990886 volume 11100000 weight 1.0
REMARK dnoe: 3.370537 position 3.743032 -0.0230899
ASSI { 994 }
( attr rmsd >= -0.0830899 and attr rmsd <= 0.0369101 )
(( attr rmsd >= 3.703032 and attr rmsd <= 3.783032 )
and bondedto ( attr rmsd >= 59.56488 and attr rmsd <= 61.16488 ))
3.6 3.6 1.4
peak 994 ppm1 -0.0230899 ppm2 3.743032 volume 5180000 weight 1.0
REMARK dnoe: 2.829504 position 3.740945 0.1648383
ASSI { 995 }
( attr rmsd >= 0.1048383 and attr rmsd <= 0.2248383 )
(( attr rmsd >= 3.700945 and attr rmsd <= 3.780945 )
and bondedto ( attr rmsd >= 59.49773 and attr rmsd <= 61.09773 ))
3.0 3.0 0.5999999
peak 995 ppm1 0.1648383 ppm2 3.740945 volume 14800000 weight 1.0
REMARK dnoe: 3.142253 position 3.738858 0.43891
ASSI { 996 }
( attr rmsd >= 0.37891 and attr rmsd <= 0.49891 )
(( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )
and bondedto ( attr rmsd >= 59.51129 and attr rmsd <= 61.11129 ))
3.6 3.6 1.4
peak 996 ppm1 0.43891 ppm2 3.738858 volume 0.789e+07 weight 1.0
REMARK dnoe: 3.172449 position 3.738858 1.026173
ASSI { 997 }
( attr rmsd >= 0.966173 and attr rmsd <= 1.086173 )
(( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )
and bondedto ( attr rmsd >= 59.49773 and attr rmsd <= 61.09773 ))
3.6 3.6 1.4
peak 997 ppm1 1.026173 ppm2 3.738858 volume 7450000 weight 1.0
REMARK dnoe: 3.093268 position 3.738858 1.20235
ASSI { 998 }
( attr rmsd >= 1.14235 and attr rmsd <= 1.26235 )
(( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )
and bondedto ( attr rmsd >= 59.61169 and attr rmsd <= 61.21169 ))
3.6 3.6 1.4
peak 998 ppm1 1.20235 ppm2 3.738858 volume 8670000 weight 1.0
REMARK dnoe: 2.866161 position 3.981858 1.625144
ASSI { 999 }
( attr rmsd >= 1.565144 and attr rmsd <= 1.685144 )
(( attr rmsd >= 3.941858 and attr rmsd <= 4.021858 )
and bondedto ( attr rmsd >= 59.51676 and attr rmsd <= 61.11676 ))
3.0 3.0 0.5999999
peak 999 ppm1 1.625144 ppm2 3.981858 volume 13699999 weight 1.0
REMARK dnoe: 2.996096 position 3.994333 1.260567
ASSI { 1000 }
( attr rmsd >= 1.200567 and attr rmsd <= 1.320567 )
(( attr rmsd >= 3.954333 and attr rmsd <= 4.034333 )
and bondedto ( attr rmsd >= 59.47476 and attr rmsd <= 61.07476 ))
3.0 3.0 0.5999999
peak 1000 ppm1 1.260567 ppm2 3.994333 volume 10500000 weight 1.0
REMARK dnoe: 3.039599 position 3.994333 0.9640033
ASSI { 1001 }
( attr rmsd >= 0.9040033 and attr rmsd <= 1.024003 )
(( attr rmsd >= 3.954333 and attr rmsd <= 4.034333 )
and bondedto ( attr rmsd >= 59.45093 and attr rmsd <= 61.05093 ))
3.6 3.6 1.4
peak 1001 ppm1 0.9640033 ppm2 3.994333 volume 9630000 weight 1.0
REMARK dnoe: 2.883976 position 3.996396 0.6674609
ASSI { 1002 }
( attr rmsd >= 0.6074609 and attr rmsd <= 0.7274609 )
(( attr rmsd >= 3.956396 and attr rmsd <= 4.036396 )
and bondedto ( attr rmsd >= 59.49882 and attr rmsd <= 61.09882 ))
3.0 3.0 0.5999999
peak 1002 ppm1 0.6674609 ppm2 3.996396 volume 13200000 weight 1.0
REMARK dnoe: 2.813879 position 3.991824 0.3272877
ASSI { 1003 }
( attr rmsd >= 0.2672877 and attr rmsd <= 0.3872877 )
(( attr rmsd >= 3.951824 and attr rmsd <= 4.031824 )
and bondedto ( attr rmsd >= 59.47476 and attr rmsd <= 61.07476 ))
3.0 3.0 0.5999999
peak 1003 ppm1 0.3272877 ppm2 3.991824 volume 15300000 weight 1.0
REMARK dnoe: 2.778689 position 4.885315 0.6786962
ASSI { 1004 }
( attr rmsd >= 0.6186962 and attr rmsd <= 0.7386962 )
(( attr rmsd >= 4.845315 and attr rmsd <= 4.925315 )
and bondedto ( attr rmsd >= 59.42117 and attr rmsd <= 61.02117 ))
3.0 3.0 0.5999999
peak 1004 ppm1 0.6786962 ppm2 4.885315 volume 16500001 weight 1.0
REMARK dnoe: 3.083855 position 4.889466 1.403747
ASSI { 1005 }
( attr rmsd >= 1.343747 and attr rmsd <= 1.463747 )
(( attr rmsd >= 4.849466 and attr rmsd <= 4.929466 )
and bondedto ( attr rmsd >= 59.27330 and attr rmsd <= 60.87330 ))
3.6 3.6 1.4
peak 1005 ppm1 1.403747 ppm2 4.889466 volume 8830000 weight 1.0
REMARK dnoe: 3.204039 position 4.067024 0.6438947
ASSI { 1006 }
( attr rmsd >= 0.5838947 and attr rmsd <= 0.7038947 )
(( attr rmsd >= 4.027024 and attr rmsd <= 4.107024 )
and bondedto ( attr rmsd >= 59.61082 and attr rmsd <= 61.21082 ))
3.6 3.6 1.4
peak 1006 ppm1 0.6438947 ppm2 4.067024 volume 7020000 weight 1.0
REMARK dnoe: 2.951012 position -0.0521979 8.422871
ASSI { 1007 }
( attr rmsd >= 8.36287 and attr rmsd <= 8.482871 )
(( attr rmsd >= -0.0921979 and attr rmsd <= -0.0121979 )
and bondedto ( attr rmsd >= 31.68666 and attr rmsd <= 33.28666 ))
3.0 3.0 0.5999999
peak 1007 ppm1 8.422871 ppm2 -0.0521979 volume 11500000 weight 1.0
REMARK dnoe: 3.242085 position 2.346353 7.73101
ASSI { 1008 }
( attr rmsd >= 7.67101 and attr rmsd <= 7.79101 )
(( attr rmsd >= 2.306353 and attr rmsd <= 2.386353 )
and bondedto ( attr rmsd >= 31.78554 and attr rmsd <= 33.38554 ))
3.6 3.6 1.4
peak 1008 ppm1 7.73101 ppm2 2.346353 volume 6540000 weight 1.0
REMARK dnoe: 3.371623 position 2.340749 7.876123
ASSI { 1009 }
( attr rmsd >= 7.816123 and attr rmsd <= 7.936123 )
(( attr rmsd >= 2.300749 and attr rmsd <= 2.380749 )
and bondedto ( attr rmsd >= 31.74682 and attr rmsd <= 33.34682 ))
3.6 3.6 1.4
peak 1009 ppm1 7.876123 ppm2 2.340749 volume 5170000 weight 1.0
REMARK dnoe: 3.132406 position 1.798613 7.732707
ASSI { 1010 }
( attr rmsd >= 7.672707 and attr rmsd <= 7.792707 )
(( attr rmsd >= 1.758613 and attr rmsd <= 1.838613 )
and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
3.6 3.6 1.4
peak 1010 ppm1 7.732707 ppm2 1.798613 volume 8040000 weight 1.0
REMARK dnoe: 3.459554 position 1.792986 7.883685
ASSI { 1011 }
( attr rmsd >= 7.823685 and attr rmsd <= 7.943685 )
(( attr rmsd >= 1.752986 and attr rmsd <= 1.832986 )
and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
3.6 3.6 1.4
peak 1011 ppm1 7.883685 ppm2 1.792986 volume 4430000 weight 1.0
REMARK dnoe: 3.218725 position 1.770569 8.019561
ASSI { 1012 }
( attr rmsd >= 7.959561 and attr rmsd <= 8.079561 )
(( attr rmsd >= 1.730569 and attr rmsd <= 1.810569 )
and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
3.6 3.6 1.4
peak 1012 ppm1 8.019561 ppm2 1.770569 volume 6830001 weight 1.0
REMARK dnoe: 3.503056 position 2.03228 8.017391
ASSI { 1013 }
( attr rmsd >= 7.957391 and attr rmsd <= 8.077392 )
(( attr rmsd >= 1.99228 and attr rmsd <= 2.07228 )
and bondedto ( attr rmsd >= 31.77504 and attr rmsd <= 33.37504 ))
3.6 3.6 1.4
peak 1013 ppm1 8.017391 ppm2 2.03228 volume 0.411e+07 weight 1.0
REMARK dnoe: 3.287163 position 2.030428 8.332301
ASSI { 1014 }
( attr rmsd >= 8.272301 and attr rmsd <= 8.392302 )
(( attr rmsd >= 1.990428 and attr rmsd <= 2.070428 )
and bondedto ( attr rmsd >= 31.81944 and attr rmsd <= 33.41944 ))
3.6 3.6 1.4
peak 1014 ppm1 8.332301 ppm2 2.030428 volume 6020000 weight 1.0
REMARK dnoe: 3.228248 position 1.862159 8.347382
ASSI { 1015 }
( attr rmsd >= 8.287381 and attr rmsd <= 8.407382 )
(( attr rmsd >= 1.822159 and attr rmsd <= 1.902159 )
and bondedto ( attr rmsd >= 31.73085 and attr rmsd <= 33.33085 ))
3.6 3.6 1.4
peak 1015 ppm1 8.347382 ppm2 1.862159 volume 6710000 weight 1.0
REMARK dnoe: 3.374894 position 1.867764 8.185619
ASSI { 1016 }
( attr rmsd >= 8.125619 and attr rmsd <= 8.24562 )
(( attr rmsd >= 1.827764 and attr rmsd <= 1.907764 )
and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
3.6 3.6 1.4
peak 1016 ppm1 8.185619 ppm2 1.867764 volume 5140000 weight 1.0
REMARK dnoe: 3.541418 position 2.03228 8.183472
ASSI { 1017 }
( attr rmsd >= 8.123471 and attr rmsd <= 8.243472 )
(( attr rmsd >= 1.99228 and attr rmsd <= 2.07228 )
and bondedto ( attr rmsd >= 31.88572 and attr rmsd <= 33.48572 ))
3.6 3.6 1.4
peak 1017 ppm1 8.183472 ppm2 2.03228 volume 3850000 weight 1.0
REMARK dnoe: 3.048635 position 1.778049 8.761497
ASSI { 1018 }
( attr rmsd >= 8.701496 and attr rmsd <= 8.821497 )
(( attr rmsd >= 1.738049 and attr rmsd <= 1.818049 )
and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
3.6 3.6 1.4
peak 1018 ppm1 8.761497 ppm2 1.778049 volume 9460000 weight 1.0
REMARK dnoe: 2.895048 position 2.034156 8.750713
ASSI { 1019 }
( attr rmsd >= 8.690713 and attr rmsd <= 8.810714 )
(( attr rmsd >= 1.994156 and attr rmsd <= 2.074156 )
and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
3.0 3.0 0.5999999
peak 1019 ppm1 8.750713 ppm2 2.034156 volume 12899999 weight 1.0
REMARK dnoe: 3.010607 position 1.878996 8.703259
ASSI { 1020 }
( attr rmsd >= 8.643259 and attr rmsd <= 8.76326 )
(( attr rmsd >= 1.838996 and attr rmsd <= 1.918996 )
and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
3.6 3.6 1.4
peak 1020 ppm1 8.703259 ppm2 1.878996 volume 10200000 weight 1.0
REMARK dnoe: 3.115834 position 1.996778 9.050499
ASSI { 1021 }
( attr rmsd >= 8.990499 and attr rmsd <= 9.110499 )
(( attr rmsd >= 1.956778 and attr rmsd <= 2.036778 )
and bondedto ( attr rmsd >= 31.62038 and attr rmsd <= 33.22038 ))
3.6 3.6 1.4
peak 1021 ppm1 9.050499 ppm2 1.996778 volume 8300000 weight 1.0
REMARK dnoe: 3.242085 position 2.082766 9.039715
ASSI { 1022 }
( attr rmsd >= 8.979714 and attr rmsd <= 9.099715 )
(( attr rmsd >= 2.042766 and attr rmsd <= 2.122766 )
and bondedto ( attr rmsd >= 31.55389 and attr rmsd <= 33.15389 ))
3.6 3.6 1.4
peak 1022 ppm1 9.039715 ppm2 2.082766 volume 6540000 weight 1.0
REMARK dnoe: 3.467425 position 2.084641 9.272648
ASSI { 1023 }
( attr rmsd >= 9.212647 and attr rmsd <= 9.332648 )
(( attr rmsd >= 2.044641 and attr rmsd <= 2.124641 )
and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
3.6 3.6 1.4
peak 1023 ppm1 9.272648 ppm2 2.084641 volume 4370000 weight 1.0
REMARK dnoe: 3.535323 position 2.004236 9.253228
ASSI { 1024 }
( attr rmsd >= 9.193228 and attr rmsd <= 9.313229 )
(( attr rmsd >= 1.964236 and attr rmsd <= 2.044236 )
and bondedto ( attr rmsd >= 31.64248 and attr rmsd <= 33.24248 ))
3.6 3.6 1.4
peak 1024 ppm1 9.253228 ppm2 2.004236 volume 3890000 weight 1.0
REMARK dnoe: 3.095055 position 0.6159511 4.126056
ASSI { 1025 }
( attr rmsd >= 4.066056 and attr rmsd <= 4.186056 )
(( attr rmsd >= 0.5759511 and attr rmsd <= 0.6559511 )
and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
3.6 3.6 1.4
peak 1025 ppm1 4.126056 ppm2 0.6159511 volume 8640000 weight 1.0
REMARK dnoe: 2.873195 position -0.0542617 4.120878
ASSI { 1026 }
( attr rmsd >= 4.060878 and attr rmsd <= 4.180878 )
(( attr rmsd >= -0.0942617 and attr rmsd <= -0.0142617 )
and bondedto ( attr rmsd >= 31.66457 and attr rmsd <= 33.26457 ))
3.0 3.0 0.5999999
peak 1026 ppm1 4.120878 ppm2 -0.0542617 volume 13500001 weight 1.0
REMARK dnoe: 2.964042 position 1.773453 5.150463
ASSI { 1027 }
( attr rmsd >= 5.090463 and attr rmsd <= 5.210463 )
(( attr rmsd >= 1.733453 and attr rmsd <= 1.813453 )
and bondedto ( attr rmsd >= 31.81944 and attr rmsd <= 33.41944 ))
3.0 3.0 0.5999999
peak 1027 ppm1 5.150463 ppm2 1.773453 volume 11200000 weight 1.0
REMARK dnoe: 2.646602 position 2.342625 4.481266
ASSI { 1028 }
( attr rmsd >= 4.421266 and attr rmsd <= 4.541266 )
(( attr rmsd >= 2.302625 and attr rmsd <= 2.382625 )
and bondedto ( attr rmsd >= 31.75316 and attr rmsd <= 33.35316 ))
3.0 3.0 0.5999999
peak 1028 ppm1 4.481266 ppm2 2.342625 volume 22100000 weight 1.0
REMARK dnoe: 2.498781 position 2.218393 4.503586
ASSI { 1029 }
( attr rmsd >= 4.443586 and attr rmsd <= 4.563586 )
(( attr rmsd >= 2.178393 and attr rmsd <= 2.258393 )
and bondedto ( attr rmsd >= 31.35483 and attr rmsd <= 32.95483 ))
2.5 2.5 0.2
peak 1029 ppm1 4.503586 ppm2 2.218393 volume 31200000 weight 1.0
REMARK dnoe: 2.201023 position 2.220245 4.337507
ASSI { 1030 }
( attr rmsd >= 4.277507 and attr rmsd <= 4.397507 )
(( attr rmsd >= 2.180245 and attr rmsd <= 2.260245 )
and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
2.5 2.5 0.2
peak 1030 ppm1 4.337507 ppm2 2.220245 volume 66800000 weight 1.0
REMARK dnoe: 2.835928 position 2.02956 4.556219
ASSI { 1031 }
( attr rmsd >= 4.496219 and attr rmsd <= 4.616219 )
(( attr rmsd >= 1.98956 and attr rmsd <= 2.06956 )
and bondedto ( attr rmsd >= 31.86319 and attr rmsd <= 33.46319 ))
3.0 3.0 0.5999999
peak 1031 ppm1 4.556219 ppm2 2.02956 volume 14600000 weight 1.0
REMARK dnoe: 2.596243 position 1.790266 4.341825
ASSI { 1032 }
( attr rmsd >= 4.281825 and attr rmsd <= 4.401825 )
(( attr rmsd >= 1.750266 and attr rmsd <= 1.830266 )
and bondedto ( attr rmsd >= 31.44342 and attr rmsd <= 33.04342 ))
3.0 3.0 0.5999999
peak 1032 ppm1 4.341825 ppm2 1.790266 volume 24800000 weight 1.0
REMARK dnoe: 3.586267 position 2.349237 3.519717
ASSI { 1033 }
( attr rmsd >= 3.459717 and attr rmsd <= 3.579717 )
(( attr rmsd >= 2.309237 and attr rmsd <= 2.389237 )
and bondedto ( attr rmsd >= 31.78094 and attr rmsd <= 33.38094 ))
3.6 3.6 1.4
peak 1033 ppm1 3.519717 ppm2 2.349237 volume 3570000 weight 1.0
REMARK dnoe: 3.271062 position 2.349237 3.796108
ASSI { 1034 }
( attr rmsd >= 3.736108 and attr rmsd <= 3.856108 )
(( attr rmsd >= 2.309237 and attr rmsd <= 2.389237 )
and bondedto ( attr rmsd >= 31.77875 and attr rmsd <= 33.37875 ))
3.6 3.6 1.4
peak 1034 ppm1 3.796108 ppm2 2.349237 volume 6200000 weight 1.0
REMARK dnoe: 2.492169 position 2.216517 3.701264
ASSI { 1035 }
( attr rmsd >= 3.641264 and attr rmsd <= 3.761264 )
(( attr rmsd >= 2.176517 and attr rmsd <= 2.256517 )
and bondedto ( attr rmsd >= 31.35483 and attr rmsd <= 32.95483 ))
2.5 2.5 0.2
peak 1035 ppm1 3.701264 ppm2 2.216517 volume 31700000 weight 1.0
REMARK dnoe: 2.972957 position 2.027684 3.737934
ASSI { 1036 }
( attr rmsd >= 3.677934 and attr rmsd <= 3.797934 )
(( attr rmsd >= 1.987684 and attr rmsd <= 2.067684 )
and bondedto ( attr rmsd >= 31.88572 and attr rmsd <= 33.48572 ))
3.0 3.0 0.5999999
peak 1036 ppm1 3.737934 ppm2 2.027684 volume 11000000 weight 1.0
REMARK dnoe: 2.682145 position 1.794018 3.789685
ASSI { 1037 }
( attr rmsd >= 3.729685 and attr rmsd <= 3.849685 )
(( attr rmsd >= 1.754018 and attr rmsd <= 1.834018 )
and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
3.0 3.0 0.5999999
peak 1037 ppm1 3.789685 ppm2 1.794018 volume 20400000 weight 1.0
REMARK dnoe: 2.548829 position 1.779737 3.563218
ASSI { 1038 }
( attr rmsd >= 3.503218 and attr rmsd <= 3.623218 )
(( attr rmsd >= 1.739737 and attr rmsd <= 1.819737 )
and bondedto ( attr rmsd >= 31.42286 and attr rmsd <= 33.02286 ))
3.0 3.0 0.5999999
peak 1038 ppm1 3.563218 ppm2 1.779737 volume 27700002 weight 1.0
REMARK dnoe: 2.630963 position 1.79587 4.488829
ASSI { 1039 }
( attr rmsd >= 4.428829 and attr rmsd <= 4.548829 )
(( attr rmsd >= 1.75587 and attr rmsd <= 1.83587 )
and bondedto ( attr rmsd >= 31.73851 and attr rmsd <= 33.33851 ))
3.0 3.0 0.5999999
peak 1039 ppm1 4.488829 ppm2 1.79587 volume 22900000 weight 1.0
REMARK dnoe: 2.591045 position 0.6184368 -0.059309
ASSI { 1040 }
( attr rmsd >= -0.119309 and attr rmsd <= 0.6910004e-03 )
(( attr rmsd >= 0.5784368 and attr rmsd <= 0.6584368 )
and bondedto ( attr rmsd >= 31.64991 and attr rmsd <= 33.24991 ))
3.0 3.0 0.5999999
peak 1040 ppm1 -0.059309 ppm2 0.6184368 volume 25099998 weight 1.0
REMARK dnoe: 2.401438 position -0.0494781 0.6180086
ASSI { 1041 }
( attr rmsd >= 0.5580086 and attr rmsd <= 0.6780086 )
(( attr rmsd >= -0.0894781 and attr rmsd <= -0.0094781 )
and bondedto ( attr rmsd >= 31.66501 and attr rmsd <= 33.26501 ))
2.5 2.5 0.2
peak 1041 ppm1 0.6180086 ppm2 -0.0494781 volume 39600000 weight 1.0
REMARK dnoe: 2.934244 position 0.6102762 1.099643
ASSI { 1042 }
( attr rmsd >= 1.039643 and attr rmsd <= 1.159643 )
(( attr rmsd >= 0.5702762 and attr rmsd <= 0.6502762 )
and bondedto ( attr rmsd >= 31.68841 and attr rmsd <= 33.28841 ))
3.0 3.0 0.5999999
peak 1042 ppm1 1.099643 ppm2 0.6102762 volume 11900000 weight 1.0
REMARK dnoe: 2.675627 position -0.0454211 1.099643
ASSI { 1043 }
( attr rmsd >= 1.039643 and attr rmsd <= 1.159643 )
(( attr rmsd >= -0.0854211 and attr rmsd <= -0.0054211 )
and bondedto ( attr rmsd >= 31.72757 and attr rmsd <= 33.32757 ))
3.0 3.0 0.5999999
peak 1043 ppm1 1.099643 ppm2 -0.0454211 volume 20700000 weight 1.0
REMARK dnoe: 3.411244 position -0.0494781 1.498506
ASSI { 1044 }
( attr rmsd >= 1.438506 and attr rmsd <= 1.558506 )
(( attr rmsd >= -0.0894781 and attr rmsd <= -0.0094781 )
and bondedto ( attr rmsd >= 31.59304 and attr rmsd <= 33.19304 ))
3.6 3.6 1.4
peak 1044 ppm1 1.498506 ppm2 -0.0494781 volume 4820000 weight 1.0
REMARK dnoe: 4.212089 position 0.6225166 1.502265
ASSI { 1045 }
( attr rmsd >= 1.442265 and attr rmsd <= 1.562265 )
(( attr rmsd >= 0.5825166 and attr rmsd <= 0.6625166 )
and bondedto ( attr rmsd >= 31.57160 and attr rmsd <= 33.17160 ))
4.2 4.2 1.8
peak 1045 ppm1 1.502265 ppm2 0.6225166 volume 0.136e+07 weight 1.0
REMARK dnoe: 2.390497 position 2.345626 2.00115
ASSI { 1046 }
( attr rmsd >= 1.94115 and attr rmsd <= 2.06115 )
(( attr rmsd >= 2.305626 and attr rmsd <= 2.385626 )
and bondedto ( attr rmsd >= 31.68863 and attr rmsd <= 33.28863 ))
2.5 2.5 0.2
peak 1046 ppm1 2.00115 ppm2 2.345626 volume 40700000 weight 1.0
REMARK dnoe: 2.299289 position 2.345626 1.794275
ASSI { 1047 }
( attr rmsd >= 1.734275 and attr rmsd <= 1.854275 )
(( attr rmsd >= 2.305626 and attr rmsd <= 2.385626 )
and bondedto ( attr rmsd >= 31.73413 and attr rmsd <= 33.33413 ))
2.5 2.5 0.2
peak 1047 ppm1 1.794275 ppm2 2.345626 volume 51400000 weight 1.0
REMARK dnoe: 1.82142 position 2.216963 1.783319
ASSI { 1048 }
( attr rmsd >= 1.723319 and attr rmsd <= 1.843319 )
(( attr rmsd >= 2.176963 and attr rmsd <= 2.256963 )
and bondedto ( attr rmsd >= 31.44342 and attr rmsd <= 33.04342 ))
2.5 2.5 0.2
peak 1048 ppm1 1.783319 ppm2 2.216963 volume 208000000 weight 1.0
REMARK dnoe: 1.700588 position 2.219049 1.899753
ASSI { 1049 }
( attr rmsd >= 1.839753 and attr rmsd <= 1.959753 )
(( attr rmsd >= 2.179049 and attr rmsd <= 2.259049 )
and bondedto ( attr rmsd >= 31.37692 and attr rmsd <= 32.97692 ))
2.5 2.5 0.2
peak 1049 ppm1 1.899753 ppm2 2.219049 volume 314000000 weight 1.0
REMARK dnoe: 1.867577 position 2.030217 1.849828
ASSI { 1050 }
( attr rmsd >= 1.789828 and attr rmsd <= 1.909828 )
(( attr rmsd >= 1.990217 and attr rmsd <= 2.070217 )
and bondedto ( attr rmsd >= 31.85182 and attr rmsd <= 33.45182 ))
2.5 2.5 0.2
peak 1050 ppm1 1.849828 ppm2 2.030217 volume 179000000 weight 1.0
REMARK dnoe: 2.433177 position 2.036454 1.501191
ASSI { 1051 }
( attr rmsd >= 1.441191 and attr rmsd <= 1.561191 )
(( attr rmsd >= 1.996454 and attr rmsd <= 2.076454 )
and bondedto ( attr rmsd >= 31.77766 and attr rmsd <= 33.37766 ))
2.5 2.5 0.2
peak 1051 ppm1 1.501191 ppm2 2.036454 volume 36600000 weight 1.0
REMARK dnoe: 2.101402 position 1.770545 1.507378
ASSI { 1052 }
( attr rmsd >= 1.447378 and attr rmsd <= 1.567378 )
(( attr rmsd >= 1.730545 and attr rmsd <= 1.810545 )
and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
2.5 2.5 0.2
peak 1052 ppm1 1.507378 ppm2 1.770545 volume 88200000 weight 1.0
REMARK dnoe: 2.938374 position 1.79784 1.095067
ASSI { 1053 }
( attr rmsd >= 1.035067 and attr rmsd <= 1.155067 )
(( attr rmsd >= 1.75784 and attr rmsd <= 1.83784 )
and bondedto ( attr rmsd >= 31.79997 and attr rmsd <= 33.39997 ))
3.0 3.0 0.5999999
peak 1053 ppm1 1.095067 ppm2 1.79784 volume 11800000 weight 1.0
REMARK dnoe: 3.487669 position 2.35184 1.081662
ASSI { 1054 }
( attr rmsd >= 1.021662 and attr rmsd <= 1.141662 )
(( attr rmsd >= 2.31184 and attr rmsd <= 2.39184 )
and bondedto ( attr rmsd >= 31.79582 and attr rmsd <= 33.39582 ))
3.6 3.6 1.4
peak 1054 ppm1 1.081662 ppm2 2.35184 volume 4220000 weight 1.0
REMARK dnoe: 2.584227 position 1.793689 0.7694163
ASSI { 1055 }
( attr rmsd >= 0.7094163 and attr rmsd <= 0.8294163 )
(( attr rmsd >= 1.753689 and attr rmsd <= 1.833689 )
and bondedto ( attr rmsd >= 31.82644 and attr rmsd <= 33.42644 ))
3.0 3.0 0.5999999
peak 1055 ppm1 0.7694163 ppm2 1.793689 volume 25500000 weight 1.0
REMARK dnoe: 1.864121 position 1.789539 2.197262
ASSI { 1056 }
( attr rmsd >= 2.137262 and attr rmsd <= 2.257262 )
(( attr rmsd >= 1.749539 and attr rmsd <= 1.829539 )
and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
2.5 2.5 0.2
peak 1056 ppm1 2.197262 ppm2 1.789539 volume 181000000 weight 1.0
REMARK dnoe: 2.133199 position 1.795752 2.336404
ASSI { 1057 }
( attr rmsd >= 2.276404 and attr rmsd <= 2.396404 )
(( attr rmsd >= 1.755752 and attr rmsd <= 1.835752 )
and bondedto ( attr rmsd >= 31.71729 and attr rmsd <= 33.31729 ))
2.5 2.5 0.2
peak 1057 ppm1 2.336404 ppm2 1.795752 volume 80600000 weight 1.0
REMARK dnoe: 2.887634 position 1.562273 9.202379
ASSI { 1058 }
( attr rmsd >= 9.142379 and attr rmsd <= 9.26238 )
(( attr rmsd >= 1.522273 and attr rmsd <= 1.602273 )
and bondedto ( attr rmsd >= 31.39267 and attr rmsd <= 32.99267 ))
3.0 3.0 0.5999999
peak 1058 ppm1 9.202379 ppm2 1.562273 volume 13100000 weight 1.0
REMARK dnoe: 3.44166 position 2.080608 6.954122
ASSI { 1059 }
( attr rmsd >= 6.894122 and attr rmsd <= 7.014122 )
(( attr rmsd >= 2.040608 and attr rmsd <= 2.120608 )
and bondedto ( attr rmsd >= 31.64248 and attr rmsd <= 33.24248 ))
3.6 3.6 1.4
peak 1059 ppm1 6.954122 ppm2 2.080608 volume 4570000 weight 1.0
REMARK dnoe: 3.405382 position 1.991292 6.948837
ASSI { 1060 }
( attr rmsd >= 6.888837 and attr rmsd <= 7.008837 )
(( attr rmsd >= 1.951292 and attr rmsd <= 2.031292 )
and bondedto ( attr rmsd >= 31.62038 and attr rmsd <= 33.22038 ))
3.6 3.6 1.4
peak 1060 ppm1 6.948837 ppm2 1.991292 volume 4870000 weight 1.0
REMARK dnoe: 3.864544 position 1.984234 6.557751
ASSI { 1061 }
( attr rmsd >= 6.497751 and attr rmsd <= 6.617751 )
(( attr rmsd >= 1.944234 and attr rmsd <= 2.024234 )
and bondedto ( attr rmsd >= 31.57598 and attr rmsd <= 33.17598 ))
4.2 4.2 1.8
peak 1061 ppm1 6.557751 ppm2 1.984234 volume 2280000 weight 1.0
REMARK dnoe: 3.818502 position 2.080608 6.571844
ASSI { 1062 }
( attr rmsd >= 6.511844 and attr rmsd <= 6.631844 )
(( attr rmsd >= 2.040608 and attr rmsd <= 2.120608 )
and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
4.2 4.2 1.8
peak 1062 ppm1 6.571844 ppm2 2.080608 volume 2450000 weight 1.0
REMARK dnoe: 2.775892 position 1.555238 4.965651
ASSI { 1063 }
( attr rmsd >= 4.905651 and attr rmsd <= 5.025651 )
(( attr rmsd >= 1.515238 and attr rmsd <= 1.595238 )
and bondedto ( attr rmsd >= 31.46814 and attr rmsd <= 33.06814 ))
3.0 3.0 0.5999999
peak 1063 ppm1 4.965651 ppm2 1.555238 volume 16599999 weight 1.0
REMARK dnoe: 2.612288 position 4.993414 1.176636
ASSI { 1064 }
( attr rmsd >= 1.116636 and attr rmsd <= 1.236636 )
(( attr rmsd >= 4.953414 and attr rmsd <= 5.033414 )
and bondedto ( attr rmsd >= 58.88657 and attr rmsd <= 60.48657 ))
3.0 3.0 0.5999999
peak 1064 ppm1 1.176636 ppm2 4.993414 volume 23900000 weight 1.0
REMARK dnoe: 2.986689 position 4.594715 3.798493
ASSI { 1065 }
( attr rmsd >= 3.738493 and attr rmsd <= 3.858493 )
(( attr rmsd >= 4.554715 and attr rmsd <= 4.634715 )
and bondedto ( attr rmsd >= 58.99965 and attr rmsd <= 60.59965 ))
3.0 3.0 0.5999999
peak 1065 ppm1 3.798493 ppm2 4.594715 volume 10700000 weight 1.0
REMARK dnoe: 2.494799 position 1.888469 4.500042
ASSI { 1066 }
( attr rmsd >= 4.440042 and attr rmsd <= 4.560042 )
(( attr rmsd >= 1.848469 and attr rmsd <= 1.928469 )
and bondedto ( attr rmsd >= 31.30977 and attr rmsd <= 32.90977 ))
2.5 2.5 0.2
peak 1066 ppm1 4.500042 ppm2 1.888469 volume 31500000 weight 1.0
REMARK dnoe: 2.801802 position 1.88256 4.339203
ASSI { 1067 }
( attr rmsd >= 4.279203 and attr rmsd <= 4.399203 )
(( attr rmsd >= 1.84256 and attr rmsd <= 1.92256 )
and bondedto ( attr rmsd >= 31.33252 and attr rmsd <= 32.93252 ))
3.0 3.0 0.5999999
peak 1067 ppm1 4.339203 ppm2 1.88256 volume 15700001 weight 1.0
REMARK dnoe: 3.03437 position 2.219143 3.929384
ASSI { 1068 }
( attr rmsd >= 3.869384 and attr rmsd <= 3.989384 )
(( attr rmsd >= 2.179143 and attr rmsd <= 2.259143 )
and bondedto ( attr rmsd >= 31.37758 and attr rmsd <= 32.97758 ))
3.6 3.6 1.4
peak 1068 ppm1 3.929384 ppm2 2.219143 volume 9730000 weight 1.0
REMARK dnoe: 2.615949 position 1.886523 3.920577
ASSI { 1069 }
( attr rmsd >= 3.860577 and attr rmsd <= 3.980577 )
(( attr rmsd >= 1.846523 and attr rmsd <= 1.926523 )
and bondedto ( attr rmsd >= 31.30977 and attr rmsd <= 32.90977 ))
3.0 3.0 0.5999999
peak 1069 ppm1 3.920577 ppm2 1.886523 volume 23700000 weight 1.0
REMARK dnoe: 2.517974 position 1.88453 3.670866
ASSI { 1070 }
( attr rmsd >= 3.610866 and attr rmsd <= 3.730866 )
(( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )
and bondedto ( attr rmsd >= 31.35723 and attr rmsd <= 32.95723 ))
3.0 3.0 0.5999999
peak 1070 ppm1 3.670866 ppm2 1.88453 volume 29800000 weight 1.0
REMARK dnoe: 2.669218 position 1.88453 3.781758
ASSI { 1071 }
( attr rmsd >= 3.721758 and attr rmsd <= 3.841758 )
(( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )
and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
3.0 3.0 0.5999999
peak 1071 ppm1 3.781758 ppm2 1.88453 volume 21000000 weight 1.0
REMARK dnoe: 3.429266 position 2.215204 4.103456
ASSI { 1072 }
( attr rmsd >= 4.043456 and attr rmsd <= 4.163456 )
(( attr rmsd >= 2.175204 and attr rmsd <= 2.255204 )
and bondedto ( attr rmsd >= 31.35505 and attr rmsd <= 32.95505 ))
3.6 3.6 1.4
peak 1072 ppm1 4.103456 ppm2 2.215204 volume 4670000 weight 1.0
REMARK dnoe: 3.104103 position 1.888469 4.088032
ASSI { 1073 }
( attr rmsd >= 4.028032 and attr rmsd <= 4.148032 )
(( attr rmsd >= 1.848469 and attr rmsd <= 1.928469 )
and bondedto ( attr rmsd >= 31.26449 and attr rmsd <= 32.86449 ))
3.6 3.6 1.4
peak 1073 ppm1 4.088032 ppm2 1.888469 volume 8490000 weight 1.0
REMARK dnoe: 2.396422 position 1.553832 1.902331
ASSI { 1075 }
( attr rmsd >= 1.842331 and attr rmsd <= 1.962331 )
(( attr rmsd >= 1.513832 and attr rmsd <= 1.593832 )
and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
2.5 2.5 0.2
peak 1075 ppm1 1.902331 ppm2 1.553832 volume 40100000 weight 1.0
REMARK dnoe: 1.893099 position 1.88453 2.229958
ASSI { 1076 }
( attr rmsd >= 2.169958 and attr rmsd <= 2.289958 )
(( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )
and bondedto ( attr rmsd >= 31.35789 and attr rmsd <= 32.95789 ))
2.5 2.5 0.2
peak 1076 ppm1 2.229958 ppm2 1.88453 volume 165000000 weight 1.0
REMARK dnoe: 3.374894 position 2.219143 1.156528
ASSI { 1079 }
( attr rmsd >= 1.096528 and attr rmsd <= 1.216528 )
(( attr rmsd >= 2.179143 and attr rmsd <= 2.259143 )
and bondedto ( attr rmsd >= 31.36905 and attr rmsd <= 32.96905 ))
3.6 3.6 1.4
peak 1079 ppm1 1.156528 ppm2 2.219143 volume 5140000 weight 1.0
REMARK dnoe: 3.23066 position 1.890415 1.158354
ASSI { 1080 }
( attr rmsd >= 1.098354 and attr rmsd <= 1.218354 )
(( attr rmsd >= 1.850415 and attr rmsd <= 1.930415 )
and bondedto ( attr rmsd >= 31.38480 and attr rmsd <= 32.98480 ))
3.6 3.6 1.4
peak 1080 ppm1 1.158354 ppm2 1.890415 volume 6680000 weight 1.0
REMARK dnoe: 2.673479 position 1.778869 3.706484
ASSI { 1081 }
( attr rmsd >= 3.646484 and attr rmsd <= 3.766484 )
(( attr rmsd >= 1.738869 and attr rmsd <= 1.818869 )
and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
3.0 3.0 0.5999999
peak 1081 ppm1 3.706484 ppm2 1.778869 volume 20800000 weight 1.0
REMARK dnoe: 2.632883 position 5.000331 9.446999
ASSI { 1082 }
( attr rmsd >= 9.386998 and attr rmsd <= 9.506999 )
(( attr rmsd >= 4.960331 and attr rmsd <= 5.040331 )
and bondedto ( attr rmsd >= 58.90625 and attr rmsd <= 60.50625 ))
3.0 3.0 0.5999999
peak 1082 ppm1 9.446999 ppm2 5.000331 volume 22800000 weight 1.0
REMARK dnoe: 2.813879 position 5.00195 6.891437
ASSI { 1083 }
( attr rmsd >= 6.831437 and attr rmsd <= 6.951437 )
(( attr rmsd >= 4.96195 and attr rmsd <= 5.04195 )
and bondedto ( attr rmsd >= 58.95087 and attr rmsd <= 60.55087 ))
3.0 3.0 0.5999999
peak 1083 ppm1 6.891437 ppm2 5.00195 volume 15300000 weight 1.0
REMARK dnoe: 3.440407 position 4.986778 8.630776
ASSI { 1085 }
( attr rmsd >= 8.570776 and attr rmsd <= 8.690777 )
(( attr rmsd >= 4.946778 and attr rmsd <= 5.026778 )
and bondedto ( attr rmsd >= 58.92856 and attr rmsd <= 60.52856 ))
3.6 3.6 1.4
peak 1085 ppm1 8.630776 ppm2 4.986778 volume 4580000 weight 1.0
REMARK dnoe: 2.906424 position 4.999464 6.568857
ASSI { 1086 }
( attr rmsd >= 6.508857 and attr rmsd <= 6.628857 )
(( attr rmsd >= 4.959464 and attr rmsd <= 5.039464 )
and bondedto ( attr rmsd >= 58.91457 and attr rmsd <= 60.51457 ))
3.0 3.0 0.5999999
peak 1086 ppm1 6.568857 ppm2 4.999464 volume 12600000 weight 1.0
REMARK dnoe: 3.498812 position 4.587048 3.648202
ASSI { 1087 }
( attr rmsd >= 3.588202 and attr rmsd <= 3.708202 )
(( attr rmsd >= 4.547048 and attr rmsd <= 4.627048 )
and bondedto ( attr rmsd >= 58.88371 and attr rmsd <= 60.48371 ))
3.6 3.6 1.4
peak 1087 ppm1 3.648202 ppm2 4.587048 volume 4140000 weight 1.0
REMARK dnoe: 3.5131 position 4.586367 1.175647
ASSI { 1088 }
( attr rmsd >= 1.115647 and attr rmsd <= 1.235647 )
(( attr rmsd >= 4.546367 and attr rmsd <= 4.626367 )
and bondedto ( attr rmsd >= 58.90953 and attr rmsd <= 60.50953 ))
3.6 3.6 1.4
peak 1088 ppm1 1.175647 ppm2 4.586367 volume 0.404e+07 weight 1.0
REMARK dnoe: 3.442917 position 5.001293 0.7495232
ASSI { 1089 }
( attr rmsd >= 0.6895232 and attr rmsd <= 0.8095232 )
(( attr rmsd >= 4.961293 and attr rmsd <= 5.041293 )
and bondedto ( attr rmsd >= 58.95677 and attr rmsd <= 60.55677 ))
3.6 3.6 1.4
peak 1089 ppm1 0.7495232 ppm2 5.001293 volume 4560000 weight 1.0
REMARK dnoe: 2.452542 position 1.719802 8.095072
ASSI { 1090 }
( attr rmsd >= 8.035071 and attr rmsd <= 8.155072 )
(( attr rmsd >= 1.679802 and attr rmsd <= 1.759802 )
and bondedto ( attr rmsd >= 30.73535 and attr rmsd <= 32.33535 ))
2.5 2.5 0.2
peak 1090 ppm1 8.095072 ppm2 1.719802 volume 34900000 weight 1.0
REMARK dnoe: 2.829504 position 2.966433 7.645983
ASSI { 1091 }
( attr rmsd >= 7.585983 and attr rmsd <= 7.705983 )
(( attr rmsd >= 2.926433 and attr rmsd <= 3.006433 )
and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
3.0 3.0 0.5999999
peak 1091 ppm1 7.645983 ppm2 2.966433 volume 14800000 weight 1.0
REMARK dnoe: 2.946757 position 1.79587 5.022686
ASSI { 1092 }
( attr rmsd >= 4.962686 and attr rmsd <= 5.082686 )
(( attr rmsd >= 1.75587 and attr rmsd <= 1.83587 )
and bondedto ( attr rmsd >= 30.65682 and attr rmsd <= 32.25682 ))
3.0 3.0 0.5999999
peak 1092 ppm1 5.022686 ppm2 1.79587 volume 11600000 weight 1.0
REMARK dnoe: 2.175714 position 2.264329 4.31437
ASSI { 1093 }
( attr rmsd >= 4.25437 and attr rmsd <= 4.37437 )
(( attr rmsd >= 2.224329 and attr rmsd <= 2.304329 )
and bondedto ( attr rmsd >= 30.74432 and attr rmsd <= 32.34432 ))
2.5 2.5 0.2
peak 1093 ppm1 4.31437 ppm2 2.264329 volume 71600000 weight 1.0
REMARK dnoe: 1.833365 position 2.956091 4.509817
ASSI { 1094 }
( attr rmsd >= 4.449817 and attr rmsd <= 4.569817 )
(( attr rmsd >= 2.916091 and attr rmsd <= 2.996091 )
and bondedto ( attr rmsd >= 30.22393 and attr rmsd <= 31.82393 ))
2.5 2.5 0.2
peak 1094 ppm1 4.509817 ppm2 2.956091 volume 200000000 weight 1.0
REMARK dnoe: 2.52942 position 1.770685 4.141287
ASSI { 1095 }
( attr rmsd >= 4.081287 and attr rmsd <= 4.201287 )
(( attr rmsd >= 1.730685 and attr rmsd <= 1.810685 )
and bondedto ( attr rmsd >= 30.38230 and attr rmsd <= 31.98230 ))
3.0 3.0 0.5999999
peak 1095 ppm1 4.141287 ppm2 1.770685 volume 29000000 weight 1.0
REMARK dnoe: 2.731149 position 1.710235 4.024552
ASSI { 1096 }
( attr rmsd >= 3.964552 and attr rmsd <= 4.084552 )
(( attr rmsd >= 1.670235 and attr rmsd <= 1.750235 )
and bondedto ( attr rmsd >= 30.72988 and attr rmsd <= 32.32988 ))
3.0 3.0 0.5999999
peak 1096 ppm1 4.024552 ppm2 1.710235 volume 18300000 weight 1.0
REMARK dnoe: 2.792977 position 1.581759 3.971533
ASSI { 1097 }
( attr rmsd >= 3.911533 and attr rmsd <= 4.031533 )
(( attr rmsd >= 1.541759 and attr rmsd <= 1.621759 )
and bondedto ( attr rmsd >= 30.47286 and attr rmsd <= 32.07286 ))
3.0 3.0 0.5999999
peak 1097 ppm1 3.971533 ppm2 1.581759 volume 16000000 weight 1.0
REMARK dnoe: 3.039073 position 1.584268 3.799567
ASSI { 1098 }
( attr rmsd >= 3.739567 and attr rmsd <= 3.859567 )
(( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )
and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
3.6 3.6 1.4
peak 1098 ppm1 3.799567 ppm2 1.584268 volume 9640000 weight 1.0
REMARK dnoe: 2.842455 position 1.725336 3.830437
ASSI { 1099 }
( attr rmsd >= 3.770437 and attr rmsd <= 3.890437 )
(( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )
and bondedto ( attr rmsd >= 30.76685 and attr rmsd <= 32.36685 ))
3.0 3.0 0.5999999
peak 1099 ppm1 3.830437 ppm2 1.725336 volume 14399999 weight 1.0
REMARK dnoe: 2.778689 position 1.934405 3.971533
ASSI { 1100 }
( attr rmsd >= 3.911533 and attr rmsd <= 4.031533 )
(( attr rmsd >= 1.894405 and attr rmsd <= 1.974405 )
and bondedto ( attr rmsd >= 30.54067 and attr rmsd <= 32.14067 ))
3.0 3.0 0.5999999
peak 1100 ppm1 3.971533 ppm2 1.934405 volume 16500001 weight 1.0
REMARK dnoe: 2.959654 position 1.725336 5.022686
ASSI { 1101 }
( attr rmsd >= 4.962686 and attr rmsd <= 5.082686 )
(( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )
and bondedto ( attr rmsd >= 30.66885 and attr rmsd <= 32.26885 ))
3.0 3.0 0.5999999
peak 1101 ppm1 5.022686 ppm2 1.725336 volume 11300000 weight 1.0
REMARK dnoe: 2.813879 position 1.927629 3.801178
ASSI { 1102 }
( attr rmsd >= 3.741178 and attr rmsd <= 3.861178 )
(( attr rmsd >= 1.887629 and attr rmsd <= 1.967629 )
and bondedto ( attr rmsd >= 30.74432 and attr rmsd <= 32.34432 ))
3.0 3.0 0.5999999
peak 1102 ppm1 3.801178 ppm2 1.927629 volume 15300000 weight 1.0
REMARK dnoe: 2.986689 position 2.967206 2.210624
ASSI { 1103 }
( attr rmsd >= 2.150624 and attr rmsd <= 2.270624 )
(( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )
and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
3.0 3.0 0.5999999
peak 1103 ppm1 2.210624 ppm2 2.967206 volume 10700000 weight 1.0
REMARK dnoe: 3.131757 position 2.967206 1.827014
ASSI { 1104 }
( attr rmsd >= 1.767014 and attr rmsd <= 1.887014 )
(( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )
and bondedto ( attr rmsd >= 30.72157 and attr rmsd <= 32.32157 ))
3.6 3.6 1.4
peak 1104 ppm1 1.827014 ppm2 2.967206 volume 8050000 weight 1.0
REMARK dnoe: 2.982062 position 2.967206 0.696054
ASSI { 1105 }
( attr rmsd >= 0.636054 and attr rmsd <= 0.756054 )
(( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )
and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
3.0 3.0 0.5999999
peak 1105 ppm1 0.696054 ppm2 2.967206 volume 10800000 weight 1.0
REMARK dnoe: 2.076645 position 2.2644 0.7713282
ASSI { 1106 }
( attr rmsd >= 0.7113282 and attr rmsd <= 0.8313282 )
(( attr rmsd >= 2.2244 and attr rmsd <= 2.3044 )
and bondedto ( attr rmsd >= 30.71194 and attr rmsd <= 32.31194 ))
2.5 2.5 0.2
peak 1106 ppm1 0.7713282 ppm2 2.2644 volume 94700000 weight 1.0
REMARK dnoe: 2.037994 position 1.722827 0.7689862
ASSI { 1107 }
( attr rmsd >= 0.7089862 and attr rmsd <= 0.8289862 )
(( attr rmsd >= 1.682827 and attr rmsd <= 1.762827 )
and bondedto ( attr rmsd >= 30.75197 and attr rmsd <= 32.35197 ))
2.5 2.5 0.2
peak 1107 ppm1 0.7689862 ppm2 1.722827 volume 106000000 weight 1.0
REMARK dnoe: 2.691012 position 1.717786 1.20873
ASSI { 1108 }
( attr rmsd >= 1.14873 and attr rmsd <= 1.26873 )
(( attr rmsd >= 1.677786 and attr rmsd <= 1.757786 )
and bondedto ( attr rmsd >= 30.72244 and attr rmsd <= 32.32244 ))
3.0 3.0 0.5999999
peak 1108 ppm1 1.20873 ppm2 1.717786 volume 20000000 weight 1.0
REMARK dnoe: 2.162333 position 1.931896 1.577904
ASSI { 1109 }
( attr rmsd >= 1.517904 and attr rmsd <= 1.637904 )
(( attr rmsd >= 1.891896 and attr rmsd <= 1.971896 )
and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
2.5 2.5 0.2
peak 1109 ppm1 1.577904 ppm2 1.931896 volume 74300000 weight 1.0
REMARK dnoe: 2.21506 position 1.584268 1.915199
ASSI { 1110 }
( attr rmsd >= 1.855199 and attr rmsd <= 1.975199 )
(( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )
and bondedto ( attr rmsd >= 30.51792 and attr rmsd <= 32.11792 ))
2.5 2.5 0.2
peak 1110 ppm1 1.915199 ppm2 1.584268 volume 64300000 weight 1.0
REMARK dnoe: 2.711742 position 1.584268 2.13346
ASSI { 1111 }
( attr rmsd >= 2.07346 and attr rmsd <= 2.19346 )
(( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )
and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
3.0 3.0 0.5999999
peak 1111 ppm1 2.13346 ppm2 1.584268 volume 19100000 weight 1.0
REMARK dnoe: 2.123647 position 1.916772 2.135651
ASSI { 1112 }
( attr rmsd >= 2.075651 and attr rmsd <= 2.195651 )
(( attr rmsd >= 1.876772 and attr rmsd <= 1.956772 )
and bondedto ( attr rmsd >= 30.60848 and attr rmsd <= 32.20848 ))
2.5 2.5 0.2
peak 1112 ppm1 2.135651 ppm2 1.916772 volume 82800000 weight 1.0
REMARK dnoe: 2.665005 position 1.725336 2.188562
ASSI { 1113 }
( attr rmsd >= 2.128562 and attr rmsd <= 2.248562 )
(( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )
and bondedto ( attr rmsd >= 30.51792 and attr rmsd <= 32.11792 ))
3.0 3.0 0.5999999
peak 1113 ppm1 2.188562 ppm2 1.725336 volume 21200000 weight 1.0
REMARK dnoe: 2.328911 position 1.722827 2.047466
ASSI { 1114 }
( attr rmsd >= 1.987466 and attr rmsd <= 2.107466 )
(( attr rmsd >= 1.682827 and attr rmsd <= 1.762827 )
and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
2.5 2.5 0.2
peak 1114 ppm1 2.047466 ppm2 1.722827 volume 47600000 weight 1.0
REMARK dnoe: 3.410066 position 1.937266 0.1058903
ASSI { 1115 }
( attr rmsd >= 0.0458903 and attr rmsd <= 0.1658903 )
(( attr rmsd >= 1.897266 and attr rmsd <= 1.977266 )
and bondedto ( attr rmsd >= 30.65376 and attr rmsd <= 32.25376 ))
3.6 3.6 1.4
peak 1115 ppm1 0.1058903 ppm2 1.937266 volume 4830000 weight 1.0
REMARK dnoe: 3.644712 position 1.57925 0.1058903
ASSI { 1116 }
( attr rmsd >= 0.0458903 and attr rmsd <= 0.1658903 )
(( attr rmsd >= 1.53925 and attr rmsd <= 1.61925 )
and bondedto ( attr rmsd >= 30.61416 and attr rmsd <= 32.21416 ))
4.2 4.2 1.8
peak 1116 ppm1 0.1058903 ppm2 1.57925 volume 3240000 weight 1.0
REMARK dnoe: 3.555408 position 1.93539 8.928308
ASSI { 1117 }
( attr rmsd >= 8.868307 and attr rmsd <= 8.988308 )
(( attr rmsd >= 1.89539 and attr rmsd <= 1.97539 )
and bondedto ( attr rmsd >= 30.54395 and attr rmsd <= 32.14395 ))
3.6 3.6 1.4
peak 1117 ppm1 8.928308 ppm2 1.93539 volume 0.376e+07 weight 1.0
REMARK dnoe: 2.810826 position 1.776595 8.269379
ASSI { 1118 }
( attr rmsd >= 8.209378 and attr rmsd <= 8.329379 )
(( attr rmsd >= 1.736595 and attr rmsd <= 1.816595 )
and bondedto ( attr rmsd >= 30.32148 and attr rmsd <= 31.92148 ))
3.0 3.0 0.5999999
peak 1118 ppm1 8.269379 ppm2 1.776595 volume 15400000 weight 1.0
REMARK dnoe: 2.946757 position 1.658108 8.269379
ASSI { 1119 }
( attr rmsd >= 8.209378 and attr rmsd <= 8.329379 )
(( attr rmsd >= 1.618108 and attr rmsd <= 1.698108 )
and bondedto ( attr rmsd >= 30.43283 and attr rmsd <= 32.03283 ))
3.0 3.0 0.5999999
peak 1119 ppm1 8.269379 ppm2 1.658108 volume 11600000 weight 1.0
REMARK dnoe: 2.502808 position 2.916604 6.794744
ASSI { 1121 }
( attr rmsd >= 6.734744 and attr rmsd <= 6.854744 )
(( attr rmsd >= 2.876604 and attr rmsd <= 2.956604 )
and bondedto ( attr rmsd >= 30.23246 and attr rmsd <= 31.83246 ))
3.0 3.0 0.5999999
peak 1121 ppm1 6.794744 ppm2 2.916604 volume 30899998 weight 1.0
REMARK dnoe: 2.556579 position 3.006647 6.851544
ASSI { 1122 }
( attr rmsd >= 6.791544 and attr rmsd <= 6.911544 )
(( attr rmsd >= 2.966647 and attr rmsd <= 3.046647 )
and bondedto ( attr rmsd >= 30.34380 and attr rmsd <= 31.94380 ))
3.0 3.0 0.5999999
peak 1122 ppm1 6.851544 ppm2 3.006647 volume 27200002 weight 1.0
REMARK dnoe: 2.582541 position 1.65574 4.143113
ASSI { 1123 }
( attr rmsd >= 4.083113 and attr rmsd <= 4.203113 )
(( attr rmsd >= 1.61574 and attr rmsd <= 1.69574 )
and bondedto ( attr rmsd >= 30.36589 and attr rmsd <= 31.96589 ))
3.0 3.0 0.5999999
peak 1123 ppm1 4.143113 ppm2 1.65574 volume 25600002 weight 1.0
REMARK dnoe: 3.069538 position 1.660477 3.154709
ASSI { 1124 }
( attr rmsd >= 3.094709 and attr rmsd <= 3.214709 )
(( attr rmsd >= 1.620477 and attr rmsd <= 1.700477 )
and bondedto ( attr rmsd >= 30.38820 and attr rmsd <= 31.98820 ))
3.6 3.6 1.4
peak 1124 ppm1 3.154709 ppm2 1.660477 volume 9080000 weight 1.0
REMARK dnoe: 3.154362 position 1.778963 3.154709
ASSI { 1125 }
( attr rmsd >= 3.094709 and attr rmsd <= 3.214709 )
(( attr rmsd >= 1.738963 and attr rmsd <= 1.818963 )
and bondedto ( attr rmsd >= 30.36589 and attr rmsd <= 31.96589 ))
3.6 3.6 1.4
peak 1125 ppm1 3.154709 ppm2 1.778963 volume 7710001 weight 1.0
REMARK dnoe: 2.862689 position 1.994645 2.516232
ASSI { 1126 }
( attr rmsd >= 2.456232 and attr rmsd <= 2.576232 )
(( attr rmsd >= 1.954645 and attr rmsd <= 2.034645 )
and bondedto ( attr rmsd >= 30.61088 and attr rmsd <= 32.21088 ))
3.0 3.0 0.5999999
peak 1126 ppm1 2.516232 ppm2 1.994645 volume 13800000 weight 1.0
REMARK dnoe: 3.283537 position 4.326953 8.544805
ASSI { 1127 }
( attr rmsd >= 8.484804 and attr rmsd <= 8.604805 )
(( attr rmsd >= 4.286953 and attr rmsd <= 4.366953 )
and bondedto ( attr rmsd >= 58.28392 and attr rmsd <= 59.88392 ))
3.6 3.6 1.4
peak 1127 ppm1 8.544805 ppm2 4.326953 volume 6060000 weight 1.0
REMARK dnoe: 2.770357 position 4.326015 7.706993
ASSI { 1128 }
( attr rmsd >= 7.646993 and attr rmsd <= 7.766993 )
(( attr rmsd >= 4.286015 and attr rmsd <= 4.366015 )
and bondedto ( attr rmsd >= 58.27998 and attr rmsd <= 59.87998 ))
3.0 3.0 0.5999999
peak 1128 ppm1 7.706993 ppm2 4.326015 volume 16800000 weight 1.0
REMARK dnoe: 2.968476 position 4.350637 7.355327
ASSI { 1129 }
( attr rmsd >= 7.295327 and attr rmsd <= 7.415327 )
(( attr rmsd >= 4.310637 and attr rmsd <= 4.390637 )
and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
3.0 3.0 0.5999999
peak 1129 ppm1 7.355327 ppm2 4.350637 volume 11100000 weight 1.0
REMARK dnoe: 2.773115 position 4.350472 6.727977
ASSI { 1130 }
( attr rmsd >= 6.667977 and attr rmsd <= 6.787977 )
(( attr rmsd >= 4.310472 and attr rmsd <= 4.390472 )
and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
3.0 3.0 0.5999999
peak 1130 ppm1 6.727977 ppm2 4.350472 volume 16700000 weight 1.0
REMARK dnoe: 3.082692 position 4.345595 7.900205
ASSI { 1131 }
( attr rmsd >= 7.840205 and attr rmsd <= 7.960205 )
(( attr rmsd >= 4.305595 and attr rmsd <= 4.385595 )
and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
3.6 3.6 1.4
peak 1131 ppm1 7.900205 ppm2 4.345595 volume 8850000 weight 1.0
REMARK dnoe: 2.883976 position 4.558275 3.905346
ASSI { 1134 }
( attr rmsd >= 3.845346 and attr rmsd <= 3.965346 )
(( attr rmsd >= 4.518275 and attr rmsd <= 4.598275 )
and bondedto ( attr rmsd >= 58.24520 and attr rmsd <= 59.84520 ))
3.0 3.0 0.5999999
peak 1134 ppm1 3.905346 ppm2 4.558275 volume 13200000 weight 1.0
REMARK dnoe: 2.33384 position 4.327188 3.605345
ASSI { 1135 }
( attr rmsd >= 3.545345 and attr rmsd <= 3.665345 )
(( attr rmsd >= 4.287188 and attr rmsd <= 4.367188 )
and bondedto ( attr rmsd >= 58.27605 and attr rmsd <= 59.87605 ))
2.5 2.5 0.2
peak 1135 ppm1 3.605345 ppm2 4.327188 volume 47000000 weight 1.0
REMARK dnoe: 2.673479 position 4.354177 2.500722
ASSI { 1136 }
( attr rmsd >= 2.440722 and attr rmsd <= 2.560722 )
(( attr rmsd >= 4.314177 and attr rmsd <= 4.394177 )
and bondedto ( attr rmsd >= 58.30229 and attr rmsd <= 59.90229 ))
3.0 3.0 0.5999999
peak 1136 ppm1 2.500722 ppm2 4.354177 volume 20800000 weight 1.0
REMARK dnoe: 3.104712 position 3.016753 7.944137
ASSI { 1137 }
( attr rmsd >= 7.884137 and attr rmsd <= 8.004137 )
(( attr rmsd >= 2.976753 and attr rmsd <= 3.056753 )
and bondedto ( attr rmsd >= 30.32148 and attr rmsd <= 31.92148 ))
3.6 3.6 1.4
peak 1137 ppm1 7.944137 ppm2 3.016753 volume 8480000 weight 1.0
REMARK dnoe: 2.714116 position 1.768599 8.093761
ASSI { 1138 }
( attr rmsd >= 8.033761 and attr rmsd <= 8.153762 )
(( attr rmsd >= 1.728599 and attr rmsd <= 1.808599 )
and bondedto ( attr rmsd >= 30.35342 and attr rmsd <= 31.95342 ))
3.0 3.0 0.5999999
peak 1138 ppm1 8.093761 ppm2 1.768599 volume 19000000 weight 1.0
REMARK dnoe: 2.669218 position 1.656655 8.073696
ASSI { 1139 }
( attr rmsd >= 8.013696 and attr rmsd <= 8.133697 )
(( attr rmsd >= 1.616655 and attr rmsd <= 1.696655 )
and bondedto ( attr rmsd >= 30.29174 and attr rmsd <= 31.89174 ))
3.0 3.0 0.5999999
peak 1139 ppm1 8.073696 ppm2 1.656655 volume 21000000 weight 1.0
REMARK dnoe: 2.942544 position 2.943921 6.932446
ASSI { 1140 }
( attr rmsd >= 6.872446 and attr rmsd <= 6.992446 )
(( attr rmsd >= 2.903921 and attr rmsd <= 2.983921 )
and bondedto ( attr rmsd >= 29.94306 and attr rmsd <= 31.54306 ))
3.0 3.0 0.5999999
peak 1140 ppm1 6.932446 ppm2 2.943921 volume 11700000 weight 1.0
REMARK dnoe: 2.054473 position 4.375937 3.819696
ASSI { 1141 }
( attr rmsd >= 3.759696 and attr rmsd <= 3.879696 )
(( attr rmsd >= 4.335937 and attr rmsd <= 4.415937 )
and bondedto ( attr rmsd >= 57.65678 and attr rmsd <= 59.25678 ))
2.5 2.5 0.2
peak 1141 ppm1 3.819696 ppm2 4.375937 volume 101000000 weight 1.0
REMARK dnoe: 1.952693 position 4.351528 3.751231
ASSI { 1142 }
( attr rmsd >= 3.691231 and attr rmsd <= 3.811231 )
(( attr rmsd >= 4.311528 and attr rmsd <= 4.391528 )
and bondedto ( attr rmsd >= 57.52313 and attr rmsd <= 59.12313 ))
2.5 2.5 0.2
peak 1142 ppm1 3.751231 ppm2 4.351528 volume 137000000 weight 1.0
REMARK dnoe: 3.320143 position 2.222309 8.440271
ASSI { 1143 }
( attr rmsd >= 8.380271 and attr rmsd <= 8.500272 )
(( attr rmsd >= 2.182309 and attr rmsd <= 2.262309 )
and bondedto ( attr rmsd >= 29.58694 and attr rmsd <= 31.18694 ))
3.6 3.6 1.4
peak 1143 ppm1 8.440271 ppm2 2.222309 volume 0.567e+07 weight 1.0
REMARK dnoe: 3.198745 position 1.843377 8.442827
ASSI { 1144 }
( attr rmsd >= 8.382827 and attr rmsd <= 8.502828 )
(( attr rmsd >= 1.803377 and attr rmsd <= 1.883377 )
and bondedto ( attr rmsd >= 29.56879 and attr rmsd <= 31.16879 ))
3.6 3.6 1.4
peak 1144 ppm1 8.442827 ppm2 1.843377 volume 7090000 weight 1.0
REMARK dnoe: 3.563349 position 3.185233 6.944841
ASSI { 1145 }
( attr rmsd >= 6.884841 and attr rmsd <= 7.004841 )
(( attr rmsd >= 3.145233 and attr rmsd <= 3.225233 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
3.6 3.6 1.4
peak 1145 ppm1 6.944841 ppm2 3.185233 volume 3710000 weight 1.0
REMARK dnoe: 3.478119 position 2.939185 7.732041
ASSI { 1146 }
( attr rmsd >= 7.672041 and attr rmsd <= 7.792041 )
(( attr rmsd >= 2.899185 and attr rmsd <= 2.979185 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
3.6 3.6 1.4
peak 1146 ppm1 7.732041 ppm2 2.939185 volume 4290000 weight 1.0
REMARK dnoe: 4.108133 position 3.195152 7.752428
ASSI { 1147 }
( attr rmsd >= 7.692428 and attr rmsd <= 7.812428 )
(( attr rmsd >= 3.155152 and attr rmsd <= 3.235152 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
4.2 4.2 1.8
peak 1147 ppm1 7.752428 ppm2 3.195152 volume 0.158e+07 weight 1.0
REMARK dnoe: 3.105323 position 1.418884 4.981053
ASSI { 1148 }
( attr rmsd >= 4.921053 and attr rmsd <= 5.041053 )
(( attr rmsd >= 1.378884 and attr rmsd <= 1.458884 )
and bondedto ( attr rmsd >= 29.61188 and attr rmsd <= 31.21188 ))
3.6 3.6 1.4
peak 1148 ppm1 4.981053 ppm2 1.418884 volume 8470000 weight 1.0
REMARK dnoe: 3.010607 position 1.230778 4.981053
ASSI { 1149 }
( attr rmsd >= 4.921053 and attr rmsd <= 5.041053 )
(( attr rmsd >= 1.190778 and attr rmsd <= 1.270778 )
and bondedto ( attr rmsd >= 29.62172 and attr rmsd <= 31.22172 ))
3.6 3.6 1.4
peak 1149 ppm1 4.981053 ppm2 1.230778 volume 10200000 weight 1.0
REMARK dnoe: 2.991367 position 1.422214 4.080513
ASSI { 1150 }
( attr rmsd >= 4.020513 and attr rmsd <= 4.140513 )
(( attr rmsd >= 1.382214 and attr rmsd <= 1.462214 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
3.0 3.0 0.5999999
peak 1150 ppm1 4.080513 ppm2 1.422214 volume 10600000 weight 1.0
REMARK dnoe: 3.112096 position 1.235233 4.078516
ASSI { 1151 }
( attr rmsd >= 4.018516 and attr rmsd <= 4.138516 )
(( attr rmsd >= 1.195233 and attr rmsd <= 1.275233 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
3.6 3.6 1.4
peak 1151 ppm1 4.078516 ppm2 1.235233 volume 8360001 weight 1.0
REMARK dnoe: 3.329009 position 1.422214 3.884852
ASSI { 1153 }
( attr rmsd >= 3.363583 and attr rmsd <= 3.483583 )
(( attr rmsd >= 1.370395 and attr rmsd <= 1.450395 )
and bondedto ( attr rmsd >= 29.63135 and attr rmsd <= 31.23135 ))
3.6 3.6 1.4
peak 1153 ppm1 3.423583 ppm2 1.410395 volume 4900000 weight 1.0
REMARK dnoe: 3.373801 position 1.237578 3.415613
ASSI { 1154 }
( attr rmsd >= 3.355613 and attr rmsd <= 3.475613 )
(( attr rmsd >= 1.197578 and attr rmsd <= 1.277578 )
and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
3.6 3.6 1.4
peak 1154 ppm1 3.415613 ppm2 1.237578 volume 5150000 weight 1.0
REMARK dnoe: 2.103794 position 3.180941 2.920402
ASSI { 1155 }
( attr rmsd >= 2.860402 and attr rmsd <= 2.980402 )
(( attr rmsd >= 3.140941 and attr rmsd <= 3.220941 )
and bondedto ( attr rmsd >= 29.67729 and attr rmsd <= 31.27729 ))
2.5 2.5 0.2
peak 1155 ppm1 2.920402 ppm2 3.180941 volume 87600000 weight 1.0
REMARK dnoe: 2.610471 position 2.21994 4.571729
ASSI { 1156 }
( attr rmsd >= 4.511729 and attr rmsd <= 4.631729 )
(( attr rmsd >= 2.17994 and attr rmsd <= 2.25994 )
and bondedto ( attr rmsd >= 29.52001 and attr rmsd <= 31.12001 ))
3.0 3.0 0.5999999
peak 1156 ppm1 4.571729 ppm2 2.21994 volume 24000000 weight 1.0
REMARK dnoe: 2.686553 position 1.845933 4.573727
ASSI { 1157 }
( attr rmsd >= 4.513727 and attr rmsd <= 4.633727 )
(( attr rmsd >= 1.805933 and attr rmsd <= 1.885933 )
and bondedto ( attr rmsd >= 29.52001 and attr rmsd <= 31.12001 ))
3.0 3.0 0.5999999
peak 1157 ppm1 4.573727 ppm2 1.845933 volume 20200000 weight 1.0
REMARK dnoe: 2.314548 position 3.183357 4.571729
ASSI { 1158 }
( attr rmsd >= 4.511729 and attr rmsd <= 4.631729 )
(( attr rmsd >= 3.143357 and attr rmsd <= 3.223357 )
and bondedto ( attr rmsd >= 29.67597 and attr rmsd <= 31.27597 ))
2.5 2.5 0.2
peak 1158 ppm1 4.571729 ppm2 3.183357 volume 49400000 weight 1.0
REMARK dnoe: 1.927719 position 2.937191 4.549752
ASSI { 1159 }
( attr rmsd >= 4.489752 and attr rmsd <= 4.609752 )
(( attr rmsd >= 2.897191 and attr rmsd <= 2.977191 )
and bondedto ( attr rmsd >= 29.74269 and attr rmsd <= 31.34269 ))
2.5 2.5 0.2
peak 1159 ppm1 4.549752 ppm2 2.937191 volume 148000000 weight 1.0
REMARK dnoe: 2.051102 position 3.011993 4.529795
ASSI { 1160 }
( attr rmsd >= 4.469795 and attr rmsd <= 4.589795 )
(( attr rmsd >= 2.971993 and attr rmsd <= 3.051993 )
and bondedto ( attr rmsd >= 30.18827 and attr rmsd <= 31.78827 ))
2.5 2.5 0.2
peak 1160 ppm1 4.529795 ppm2 3.011993 volume 102000000 weight 1.0
REMARK dnoe: 1.727268 position 2.946642 3.174001
ASSI { 1161 }
( attr rmsd >= 3.114001 and attr rmsd <= 3.234001 )
(( attr rmsd >= 2.906642 and attr rmsd <= 2.986642 )
and bondedto ( attr rmsd >= 29.92075 and attr rmsd <= 31.52075 ))
2.5 2.5 0.2
peak 1161 ppm1 3.174001 ppm2 2.946642 volume 286000000 weight 1.0
REMARK dnoe: 2.489558 position 2.216681 1.844157
ASSI { 1162 }
( attr rmsd >= 1.784157 and attr rmsd <= 1.904157 )
(( attr rmsd >= 2.176681 and attr rmsd <= 2.256681 )
and bondedto ( attr rmsd >= 29.47298 and attr rmsd <= 31.07298 ))
2.5 2.5 0.2
peak 1162 ppm1 1.844157 ppm2 2.216681 volume 31900000 weight 1.0
REMARK dnoe: 2.134526 position 1.84265 2.20955
ASSI { 1163 }
( attr rmsd >= 2.14955 and attr rmsd <= 2.26955 )
(( attr rmsd >= 1.80265 and attr rmsd <= 1.88265 )
and bondedto ( attr rmsd >= 29.46554 and attr rmsd <= 31.06554 ))
2.5 2.5 0.2
peak 1163 ppm1 2.20955 ppm2 1.84265 volume 80300000 weight 1.0
REMARK dnoe: 2.427681 position 1.401578 1.243124
ASSI { 1164 }
( attr rmsd >= 1.183124 and attr rmsd <= 1.303124 )
(( attr rmsd >= 1.361578 and attr rmsd <= 1.441578 )
and bondedto ( attr rmsd >= 29.59569 and attr rmsd <= 31.19569 ))
2.5 2.5 0.2
peak 1164 ppm1 1.243124 ppm2 1.401578 volume 37100000 weight 1.0
REMARK dnoe: 2.731149 position 1.232959 1.394875
ASSI { 1165 }
( attr rmsd >= 1.334875 and attr rmsd <= 1.454875 )
(( attr rmsd >= 1.192959 and attr rmsd <= 1.272959 )
and bondedto ( attr rmsd >= 29.61232 and attr rmsd <= 31.21232 ))
3.0 3.0 0.5999999
peak 1165 ppm1 1.394875 ppm2 1.232959 volume 18300000 weight 1.0
REMARK dnoe: 1.493635 position 1.682612 1.800225
ASSI { 1166 }
( attr rmsd >= 1.740225 and attr rmsd <= 1.860225 )
(( attr rmsd >= 1.642612 and attr rmsd <= 1.722612 )
and bondedto ( attr rmsd >= 30.09880 and attr rmsd <= 31.69880 ))
2.5 2.5 0.2
peak 1166 ppm1 1.800225 ppm2 1.682612 volume 684000000 weight 1.0
REMARK dnoe: 2.669218 position 1.412764 0.7758825
ASSI { 1169 }
( attr rmsd >= 1.854039 and attr rmsd <= 1.974039 )
(( attr rmsd >= 1.36376 and attr rmsd <= 1.44376 )
and bondedto ( attr rmsd >= 29.60794 and attr rmsd <= 31.20794 ))
3.6 3.6 1.4
peak 1169 ppm1 1.914039 ppm2 1.40376 volume 9720000 weight 1.0
REMARK dnoe: 3.339058 position 1.239431 1.89608
ASSI { 1170 }
( attr rmsd >= 1.83608 and attr rmsd <= 1.95608 )
(( attr rmsd >= 1.199431 and attr rmsd <= 1.279431 )
and bondedto ( attr rmsd >= 29.63638 and attr rmsd <= 31.23638 ))
3.6 3.6 1.4
peak 1170 ppm1 1.89608 ppm2 1.239431 volume 5480000 weight 1.0
REMARK dnoe: 2.762197 position 6.595692 8.775461
ASSI { 1171 }
( attr rmsd >= 8.715461 and attr rmsd <= 8.835462 )
(( attr rmsd >= 6.555692 and attr rmsd <= 6.635692 )
and bondedto ( attr rmsd >= 56.89752 and attr rmsd <= 58.49752 ))
3.0 3.0 0.5999999
peak 1171 ppm1 8.775461 ppm2 6.595692 volume 17100000 weight 1.0
REMARK dnoe: 2.638701 position 4.424477 8.958791
ASSI { 1172 }
( attr rmsd >= 8.89879 and attr rmsd <= 9.018791 )
(( attr rmsd >= 4.384477 and attr rmsd <= 4.464477 )
and bondedto ( attr rmsd >= 56.79340 and attr rmsd <= 58.39340 ))
3.0 3.0 0.5999999
peak 1172 ppm1 8.958791 ppm2 4.424477 volume 22500000 weight 1.0
REMARK dnoe: 2.596243 position 4.42253 9.029447
ASSI { 1173 }
( attr rmsd >= 8.969446 and attr rmsd <= 9.089447 )
(( attr rmsd >= 4.38253 and attr rmsd <= 4.46253 )
and bondedto ( attr rmsd >= 56.88419 and attr rmsd <= 58.48419 ))
3.0 3.0 0.5999999
peak 1173 ppm1 9.029447 ppm2 4.42253 volume 24800000 weight 1.0
REMARK dnoe: 2.842455 position 4.408837 8.031311
ASSI { 1174 }
( attr rmsd >= 7.971311 and attr rmsd <= 8.091311 )
(( attr rmsd >= 4.368837 and attr rmsd <= 4.448837 )
and bondedto ( attr rmsd >= 56.86143 and attr rmsd <= 58.46143 ))
3.0 3.0 0.5999999
peak 1174 ppm1 8.031311 ppm2 4.408837 volume 14399999 weight 1.0
REMARK dnoe: 2.667106 position 4.359993 7.883363
ASSI { 1175 }
( attr rmsd >= 7.823363 and attr rmsd <= 7.943363 )
(( attr rmsd >= 4.319993 and attr rmsd <= 4.399993 )
and bondedto ( attr rmsd >= 56.70284 and attr rmsd <= 58.30284 ))
3.0 3.0 0.5999999
peak 1175 ppm1 7.883363 ppm2 4.359993 volume 21100000 weight 1.0
REMARK dnoe: 3.661865 position 4.274006 8.999134
ASSI { 1176 }
( attr rmsd >= 8.939134 and attr rmsd <= 9.059134 )
(( attr rmsd >= 4.234006 and attr rmsd <= 4.314006 )
and bondedto ( attr rmsd >= 57.01849 and attr rmsd <= 58.61849 ))
4.2 4.2 1.8
peak 1176 ppm1 8.999134 ppm2 4.274006 volume 3150000 weight 1.0
REMARK dnoe: 2.541241 position 4.092278 8.426587
ASSI { 1177 }
( attr rmsd >= 8.366587 and attr rmsd <= 8.486588 )
(( attr rmsd >= 4.052278 and attr rmsd <= 4.132278 )
and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
3.0 3.0 0.5999999
peak 1177 ppm1 8.426587 ppm2 4.092278 volume 28200000 weight 1.0
REMARK dnoe: 2.91812 position 4.092278 8.278638
ASSI { 1178 }
( attr rmsd >= 8.218637 and attr rmsd <= 8.338638 )
(( attr rmsd >= 4.052278 and attr rmsd <= 4.132278 )
and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
3.0 3.0 0.5999999
peak 1178 ppm1 8.278638 ppm2 4.092278 volume 12300000 weight 1.0
REMARK dnoe: 3.197994 position 3.82848 9.024399
ASSI { 1179 }
( attr rmsd >= 8.964398 and attr rmsd <= 9.084399 )
(( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )
and bondedto ( attr rmsd >= 57.06661 and attr rmsd <= 58.66661 ))
3.6 3.6 1.4
peak 1179 ppm1 9.024399 ppm2 3.82848 volume 7100000 weight 1.0
REMARK dnoe: 2.977485 position 3.82848 8.74285
ASSI { 1180 }
( attr rmsd >= 8.68285 and attr rmsd <= 8.802851 )
(( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )
and bondedto ( attr rmsd >= 57.06421 and attr rmsd <= 58.66421 ))
3.0 3.0 0.5999999
peak 1180 ppm1 8.74285 ppm2 3.82848 volume 10900000 weight 1.0
REMARK dnoe: 3.000879 position 3.82848 8.937781
ASSI { 1181 }
( attr rmsd >= 8.877781 and attr rmsd <= 8.997782 )
(( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )
and bondedto ( attr rmsd >= 57.06661 and attr rmsd <= 58.66661 ))
3.6 3.6 1.4
peak 1181 ppm1 8.937781 ppm2 3.82848 volume 10400000 weight 1.0
REMARK dnoe: 3.335013 position 6.597404 9.235569
ASSI { 1182 }
( attr rmsd >= 9.175569 and attr rmsd <= 9.295569 )
(( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )
and bondedto ( attr rmsd >= 57.06530 and attr rmsd <= 58.66530 ))
3.6 3.6 1.4
peak 1182 ppm1 9.235569 ppm2 6.597404 volume 5520000 weight 1.0
REMARK dnoe: 3.415986 position 6.597404 9.076751
ASSI { 1183 }
( attr rmsd >= 9.01675 and attr rmsd <= 9.136751 )
(( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )
and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
3.6 3.6 1.4
peak 1183 ppm1 9.076751 ppm2 6.597404 volume 4780000 weight 1.0
REMARK dnoe: 2.695524 position 4.476908 7.042436
ASSI { 1185 }
( attr rmsd >= 6.982436 and attr rmsd <= 7.102436 )
(( attr rmsd >= 4.436908 and attr rmsd <= 4.516908 )
and bondedto ( attr rmsd >= 56.90583 and attr rmsd <= 58.50583 ))
3.0 3.0 0.5999999
peak 1185 ppm1 7.042436 ppm2 4.476908 volume 19800000 weight 1.0
REMARK dnoe: 3.152322 position 4.422976 6.581682
ASSI { 1186 }
( attr rmsd >= 6.521682 and attr rmsd <= 6.641682 )
(( attr rmsd >= 4.382976 and attr rmsd <= 4.462976 )
and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
3.6 3.6 1.4
peak 1186 ppm1 6.581682 ppm2 4.422976 volume 7740000 weight 1.0
REMARK dnoe: 3.757163 position 3.853898 8.113159
ASSI { 1187 }
( attr rmsd >= 8.053159 and attr rmsd <= 8.17316 )
(( attr rmsd >= 3.813898 and attr rmsd <= 3.893898 )
and bondedto ( attr rmsd >= 57.08280 and attr rmsd <= 58.68280 ))
4.2 4.2 1.8
peak 1187 ppm1 8.113159 ppm2 3.853898 volume 2700000 weight 1.0
REMARK dnoe: 2.922093 position 6.595434 5.878994
ASSI { 1188 }
( attr rmsd >= 5.818994 and attr rmsd <= 5.938994 )
(( attr rmsd >= 6.555434 and attr rmsd <= 6.635434 )
and bondedto ( attr rmsd >= 56.95221 and attr rmsd <= 58.55221 ))
3.0 3.0 0.5999999
peak 1188 ppm1 5.878994 ppm2 6.595434 volume 12200000 weight 1.0
REMARK dnoe: 2.866161 position 6.597404 3.603326
ASSI { 1189 }
( attr rmsd >= 3.543326 and attr rmsd <= 3.663326 )
(( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )
and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
3.0 3.0 0.5999999
peak 1189 ppm1 3.603326 ppm2 6.597404 volume 13699999 weight 1.0
REMARK dnoe: 2.910286 position 6.59935 3.261047
ASSI { 1190 }
( attr rmsd >= 3.201047 and attr rmsd <= 3.321047 )
(( attr rmsd >= 6.55935 and attr rmsd <= 6.63935 )
and bondedto ( attr rmsd >= 56.92946 and attr rmsd <= 58.52946 ))
3.0 3.0 0.5999999
peak 1190 ppm1 3.261047 ppm2 6.59935 volume 12500000 weight 1.0
REMARK dnoe: 3.199498 position 6.59935 2.987211
ASSI { 1191 }
( attr rmsd >= 2.927211 and attr rmsd <= 3.047211 )
(( attr rmsd >= 6.55935 and attr rmsd <= 6.63935 )
and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
3.6 3.6 1.4
peak 1191 ppm1 2.987211 ppm2 6.59935 volume 7080000 weight 1.0
REMARK dnoe: 2.883976 position 4.547583 3.821693
ASSI { 1192 }
( attr rmsd >= 3.761693 and attr rmsd <= 3.881693 )
(( attr rmsd >= 4.507583 and attr rmsd <= 4.587583 )
and bondedto ( attr rmsd >= 57.05436 and attr rmsd <= 58.65436 ))
3.0 3.0 0.5999999
peak 1192 ppm1 3.821693 ppm2 4.547583 volume 13200000 weight 1.0
REMARK dnoe: 2.570956 position 4.418614 3.980943
ASSI { 1193 }
( attr rmsd >= 3.920943 and attr rmsd <= 4.040943 )
(( attr rmsd >= 4.378614 and attr rmsd <= 4.458614 )
and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
3.0 3.0 0.5999999
peak 1193 ppm1 3.980943 ppm2 4.418614 volume 26300002 weight 1.0
REMARK dnoe: 2.754202 position 4.266198 3.801844
ASSI { 1194 }
( attr rmsd >= 3.741844 and attr rmsd <= 3.861844 )
(( attr rmsd >= 4.226198 and attr rmsd <= 4.306198 )
and bondedto ( attr rmsd >= 56.95090 and attr rmsd <= 58.55090 ))
3.0 3.0 0.5999999
peak 1194 ppm1 3.801844 ppm2 4.266198 volume 17400000 weight 1.0
REMARK dnoe: 2.627153 position 4.268144 3.520296
ASSI { 1195 }
( attr rmsd >= 3.460296 and attr rmsd <= 3.580296 )
(( attr rmsd >= 4.228144 and attr rmsd <= 4.308144 )
and bondedto ( attr rmsd >= 56.97583 and attr rmsd <= 58.57583 ))
3.0 3.0 0.5999999
peak 1195 ppm1 3.520296 ppm2 4.268144 volume 23100000 weight 1.0
REMARK dnoe: 2.547299 position 4.402975 3.53267
ASSI { 1196 }
( attr rmsd >= 3.47267 and attr rmsd <= 3.59267 )
(( attr rmsd >= 4.362975 and attr rmsd <= 4.442975 )
and bondedto ( attr rmsd >= 56.70284 and attr rmsd <= 58.30284 ))
3.0 3.0 0.5999999
peak 1196 ppm1 3.53267 ppm2 4.402975 volume 27800000 weight 1.0
REMARK dnoe: 2.982062 position 3.856173 3.599524
ASSI { 1197 }
( attr rmsd >= 3.539524 and attr rmsd <= 3.659524 )
(( attr rmsd >= 3.816173 and attr rmsd <= 3.896173 )
and bondedto ( attr rmsd >= 56.99574 and attr rmsd <= 58.59574 ))
3.0 3.0 0.5999999
peak 1197 ppm1 3.599524 ppm2 3.856173 volume 10800000 weight 1.0
REMARK dnoe: 2.555016 position 4.47529 3.194796
ASSI { 1198 }
( attr rmsd >= 3.134796 and attr rmsd <= 3.254796 )
(( attr rmsd >= 4.43529 and attr rmsd <= 4.51529 )
and bondedto ( attr rmsd >= 56.86143 and attr rmsd <= 58.46143 ))
3.0 3.0 0.5999999
peak 1198 ppm1 3.194796 ppm2 4.47529 volume 27300000 weight 1.0
REMARK dnoe: 2.721325 position 4.485045 2.973978
ASSI { 1199 }
( attr rmsd >= 2.913978 and attr rmsd <= 3.033978 )
(( attr rmsd >= 4.445045 and attr rmsd <= 4.525045 )
and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
3.0 3.0 0.5999999
peak 1199 ppm1 2.973978 ppm2 4.485045 volume 18700000 weight 1.0
REMARK dnoe: 2.829504 position 4.094248 2.965128
ASSI { 1200 }
( attr rmsd >= 2.905128 and attr rmsd <= 3.025128 )
(( attr rmsd >= 4.054248 and attr rmsd <= 4.134248 )
and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
3.0 3.0 0.5999999
peak 1200 ppm1 2.965128 ppm2 4.094248 volume 14800000 weight 1.0
REMARK dnoe: 2.902597 position 4.092629 2.814987
ASSI { 1201 }
( attr rmsd >= 2.754987 and attr rmsd <= 2.874987 )
(( attr rmsd >= 4.052629 and attr rmsd <= 4.132629 )
and bondedto ( attr rmsd >= 56.79340 and attr rmsd <= 58.39340 ))
3.0 3.0 0.5999999
peak 1201 ppm1 2.814987 ppm2 4.092629 volume 12700000 weight 1.0
REMARK dnoe: 2.688776 position 3.825431 2.202375
ASSI { 1202 }
( attr rmsd >= 2.142375 and attr rmsd <= 2.262375 )
(( attr rmsd >= 3.785431 and attr rmsd <= 3.865431 )
and bondedto ( attr rmsd >= 57.06617 and attr rmsd <= 58.66617 ))
3.0 3.0 0.5999999
peak 1202 ppm1 2.202375 ppm2 3.825431 volume 20100000 weight 1.0
REMARK dnoe: 2.632883 position 3.860112 1.92622
ASSI { 1203 }
( attr rmsd >= 1.86622 and attr rmsd <= 1.98622 )
(( attr rmsd >= 3.820112 and attr rmsd <= 3.900112 )
and bondedto ( attr rmsd >= 57.02461 and attr rmsd <= 58.62461 ))
3.0 3.0 0.5999999
peak 1203 ppm1 1.92622 ppm2 3.860112 volume 22800000 weight 1.0
REMARK dnoe: 2.338842 position 3.858166 1.757046
ASSI { 1204 }
( attr rmsd >= 1.697046 and attr rmsd <= 1.817046 )
(( attr rmsd >= 3.818166 and attr rmsd <= 3.898166 )
and bondedto ( attr rmsd >= 56.99377 and attr rmsd <= 58.59377 ))
2.5 2.5 0.2
peak 1204 ppm1 1.757046 ppm2 3.858166 volume 46400000 weight 1.0
REMARK dnoe: 2.376121 position 3.855774 1.609226
ASSI { 1205 }
( attr rmsd >= 1.549226 and attr rmsd <= 1.669226 )
(( attr rmsd >= 3.815774 and attr rmsd <= 3.895774 )
and bondedto ( attr rmsd >= 57.01346 and attr rmsd <= 58.61346 ))
2.5 2.5 0.2
peak 1205 ppm1 1.609226 ppm2 3.855774 volume 42200000 weight 1.0
REMARK dnoe: 2.374249 position 3.826581 1.495992
ASSI { 1206 }
( attr rmsd >= 1.435992 and attr rmsd <= 1.555992 )
(( attr rmsd >= 3.786581 and attr rmsd <= 3.866581 )
and bondedto ( attr rmsd >= 57.05305 and attr rmsd <= 58.65305 ))
2.5 2.5 0.2
peak 1206 ppm1 1.495992 ppm2 3.826581 volume 42400000 weight 1.0
REMARK dnoe: 2.42013 position 3.82386 1.22061
ASSI { 1207 }
( attr rmsd >= 1.16061 and attr rmsd <= 1.28061 )
(( attr rmsd >= 3.78386 and attr rmsd <= 3.86386 )
and bondedto ( attr rmsd >= 57.07405 and attr rmsd <= 58.67405 ))
2.5 2.5 0.2
peak 1207 ppm1 1.22061 ppm2 3.82386 volume 37800000 weight 1.0
REMARK dnoe: 2.484393 position 4.090168 1.406132
ASSI { 1208 }
( attr rmsd >= 1.346132 and attr rmsd <= 1.466132 )
(( attr rmsd >= 4.050168 and attr rmsd <= 4.130168 )
and bondedto ( attr rmsd >= 56.72559 and attr rmsd <= 58.32559 ))
2.5 2.5 0.2
peak 1208 ppm1 1.406132 ppm2 4.090168 volume 32300002 weight 1.0
REMARK dnoe: 2.773115 position 4.091199 1.240503
ASSI { 1209 }
( attr rmsd >= 1.180503 and attr rmsd <= 1.300503 )
(( attr rmsd >= 4.051199 and attr rmsd <= 4.131199 )
and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
3.0 3.0 0.5999999
peak 1209 ppm1 1.240503 ppm2 4.091199 volume 16700000 weight 1.0
REMARK dnoe: 3.038548 position 4.269152 2.001987
ASSI { 1210 }
( attr rmsd >= 1.941987 and attr rmsd <= 2.061987 )
(( attr rmsd >= 4.229152 and attr rmsd <= 4.309152 )
and bondedto ( attr rmsd >= 56.96905 and attr rmsd <= 58.56905 ))
3.6 3.6 1.4
peak 1210 ppm1 2.001987 ppm2 4.269152 volume 9650000 weight 1.0
REMARK dnoe: 2.795897 position 4.268683 1.688173
ASSI { 1211 }
( attr rmsd >= 1.628173 and attr rmsd <= 1.748173 )
(( attr rmsd >= 4.228683 and attr rmsd <= 4.308683 )
and bondedto ( attr rmsd >= 56.95790 and attr rmsd <= 58.55790 ))
3.0 3.0 0.5999999
peak 1211 ppm1 1.688173 ppm2 4.268683 volume 15899999 weight 1.0
REMARK dnoe: 2.964042 position 4.271731 0.9633803
ASSI { 1212 }
( attr rmsd >= 0.9033803 and attr rmsd <= 1.02338 )
(( attr rmsd >= 4.231731 and attr rmsd <= 4.311731 )
and bondedto ( attr rmsd >= 56.99399 and attr rmsd <= 58.59399 ))
3.0 3.0 0.5999999
peak 1212 ppm1 0.9633803 ppm2 4.271731 volume 11200000 weight 1.0
REMARK dnoe: 3.188338 position 3.832278 0.7492871
ASSI { 1213 }
( attr rmsd >= 0.6892871 and attr rmsd <= 0.8092871 )
(( attr rmsd >= 3.792278 and attr rmsd <= 3.872278 )
and bondedto ( attr rmsd >= 56.97408 and attr rmsd <= 58.57408 ))
3.6 3.6 1.4
peak 1213 ppm1 0.7492871 ppm2 3.832278 volume 7230000 weight 1.0
REMARK dnoe: 3.333003 position 4.092396 0.7748296
ASSI { 1214 }
( attr rmsd >= 0.7148296 and attr rmsd <= 0.8348296 )
(( attr rmsd >= 4.052396 and attr rmsd <= 4.132396 )
and bondedto ( attr rmsd >= 56.83387 and attr rmsd <= 58.43387 ))
3.6 3.6 1.4
peak 1214 ppm1 0.7748296 ppm2 4.092396 volume 5540000 weight 1.0
REMARK dnoe: 2.597992 position 4.26404 0.5901885
ASSI { 1215 }
( attr rmsd >= 0.5301885 and attr rmsd <= 0.6501885 )
(( attr rmsd >= 4.22404 and attr rmsd <= 4.30404 )
and bondedto ( attr rmsd >= 56.94783 and attr rmsd <= 58.54783 ))
3.0 3.0 0.5999999
peak 1215 ppm1 0.5901885 ppm2 4.26404 volume 24700000 weight 1.0
REMARK dnoe: 2.743789 position 4.267441 0.276031
ASSI { 1216 }
( attr rmsd >= 0.216031 and attr rmsd <= 0.336031 )
(( attr rmsd >= 4.227441 and attr rmsd <= 4.307441 )
and bondedto ( attr rmsd >= 56.99181 and attr rmsd <= 58.59181 ))
3.0 3.0 0.5999999
peak 1216 ppm1 0.276031 ppm2 4.267441 volume 17800000 weight 1.0
REMARK dnoe: 2.926104 position 4.258928 0.3635716
ASSI { 1217 }
( attr rmsd >= 0.3035716 and attr rmsd <= 0.4235716 )
(( attr rmsd >= 4.218928 and attr rmsd <= 4.298928 )
and bondedto ( attr rmsd >= 56.96905 and attr rmsd <= 58.56905 ))
3.0 3.0 0.5999999
peak 1217 ppm1 0.3635716 ppm2 4.258928 volume 12100000 weight 1.0
REMARK dnoe: 2.481838 position 4.400348 0.7672248
ASSI { 1218 }
( attr rmsd >= 0.7072248 and attr rmsd <= 0.8272248 )
(( attr rmsd >= 4.360348 and attr rmsd <= 4.440348 )
and bondedto ( attr rmsd >= 56.82425 and attr rmsd <= 58.42425 ))
2.5 2.5 0.2
peak 1218 ppm1 0.7672248 ppm2 4.400348 volume 32499998 weight 1.0
REMARK dnoe: 2.693261 position 4.421124 2.057004
ASSI { 1219 }
( attr rmsd >= 1.997004 and attr rmsd <= 2.117004 )
(( attr rmsd >= 4.381124 and attr rmsd <= 4.461124 )
and bondedto ( attr rmsd >= 56.82425 and attr rmsd <= 58.42425 ))
3.0 3.0 0.5999999
peak 1219 ppm1 2.057004 ppm2 4.421124 volume 19900000 weight 1.0
REMARK dnoe: 2.669218 position 4.408977 1.538656
ASSI { 1220 }
( attr rmsd >= 1.478656 and attr rmsd <= 1.598656 )
(( attr rmsd >= 4.368977 and attr rmsd <= 4.448977 )
and bondedto ( attr rmsd >= 56.94630 and attr rmsd <= 58.54630 ))
3.0 3.0 0.5999999
peak 1220 ppm1 1.538656 ppm2 4.408977 volume 21000000 weight 1.0
REMARK dnoe: 2.926104 position 4.422789 1.188387
ASSI { 1221 }
( attr rmsd >= 1.128387 and attr rmsd <= 1.248387 )
(( attr rmsd >= 4.382789 and attr rmsd <= 4.462789 )
and bondedto ( attr rmsd >= 56.97693 and attr rmsd <= 58.57693 ))
3.0 3.0 0.5999999
peak 1221 ppm1 1.188387 ppm2 4.422789 volume 12100000 weight 1.0
REMARK dnoe: 2.746366 position 3.82923 2.035629
ASSI { 1222 }
( attr rmsd >= 1.975629 and attr rmsd <= 2.095629 )
(( attr rmsd >= 3.78923 and attr rmsd <= 3.86923 )
and bondedto ( attr rmsd >= 57.06399 and attr rmsd <= 58.66399 ))
3.0 3.0 0.5999999
peak 1222 ppm1 2.035629 ppm2 3.82923 volume 17700000 weight 1.0
REMARK dnoe: 3.326035 position 1.844057 2.962185
ASSI { 1223 }
( attr rmsd >= 2.902185 and attr rmsd <= 3.022185 )
(( attr rmsd >= 1.804057 and attr rmsd <= 1.884057 )
and bondedto ( attr rmsd >= 29.46860 and attr rmsd <= 31.06860 ))
3.6 3.6 1.4
peak 1223 ppm1 2.962185 ppm2 1.844057 volume 5610000 weight 1.0
REMARK dnoe: 3.354539 position 2.218206 2.94038
ASSI { 1224 }
( attr rmsd >= 2.88038 and attr rmsd <= 3.00038 )
(( attr rmsd >= 2.178206 and attr rmsd <= 2.258206 )
and bondedto ( attr rmsd >= 29.44542 and attr rmsd <= 31.04542 ))
3.6 3.6 1.4
peak 1224 ppm1 2.94038 ppm2 2.218206 volume 5330000 weight 1.0
REMARK dnoe: 3.725641 position 4.420889 9.254431
ASSI { 1225 }
( attr rmsd >= 9.19443 and attr rmsd <= 9.314431 )
(( attr rmsd >= 4.380889 and attr rmsd <= 4.460889 )
and bondedto ( attr rmsd >= 56.96337 and attr rmsd <= 58.56337 ))
4.2 4.2 1.8
peak 1225 ppm1 9.254431 ppm2 4.420889 volume 2840000 weight 1.0
REMARK dnoe: 3.260627 position 4.091293 7.238076
ASSI { 1226 }
( attr rmsd >= 7.178076 and attr rmsd <= 7.298076 )
(( attr rmsd >= 4.051293 and attr rmsd <= 4.131293 )
and bondedto ( attr rmsd >= 56.73412 and attr rmsd <= 58.33412 ))
3.6 3.6 1.4
peak 1226 ppm1 7.238076 ppm2 4.091293 volume 6320001 weight 1.0
REMARK dnoe: 3.225052 position 6.598342 7.217345
ASSI { 1227 }
( attr rmsd >= 7.157345 and attr rmsd <= 7.277345 )
(( attr rmsd >= 6.558342 and attr rmsd <= 6.638342 )
and bondedto ( attr rmsd >= 56.73893 and attr rmsd <= 58.33893 ))
3.6 3.6 1.4
peak 1227 ppm1 7.217345 ppm2 6.598342 volume 6750000 weight 1.0
REMARK dnoe: 2.842455 position 6.598342 6.92482
ASSI { 1228 }
( attr rmsd >= 6.86482 and attr rmsd <= 6.98482 )
(( attr rmsd >= 6.558342 and attr rmsd <= 6.638342 )
and bondedto ( attr rmsd >= 56.85749 and attr rmsd <= 58.45749 ))
3.0 3.0 0.5999999
peak 1228 ppm1 6.92482 ppm2 6.598342 volume 14399999 weight 1.0
REMARK dnoe: 2.394435 position 5.297568 3.284785
ASSI { 1229 }
( attr rmsd >= 3.224785 and attr rmsd <= 3.344785 )
(( attr rmsd >= 5.257568 and attr rmsd <= 5.337568 )
and bondedto ( attr rmsd >= 56.17764 and attr rmsd <= 57.77764 ))
2.5 2.5 0.2
peak 1229 ppm1 3.284785 ppm2 5.297568 volume 40300000 weight 1.0
REMARK dnoe: 3.188338 position 4.334902 2.951207
ASSI { 1230 }
( attr rmsd >= 2.891207 and attr rmsd <= 3.011207 )
(( attr rmsd >= 4.294902 and attr rmsd <= 4.374902 )
and bondedto ( attr rmsd >= 56.61141 and attr rmsd <= 58.21141 ))
3.6 3.6 1.4
peak 1230 ppm1 2.951207 ppm2 4.334902 volume 7230000 weight 1.0
REMARK dnoe: 3.159851 position 4.334222 3.083624
ASSI { 1231 }
( attr rmsd >= 3.023624 and attr rmsd <= 3.143624 )
(( attr rmsd >= 4.294222 and attr rmsd <= 4.374222 )
and bondedto ( attr rmsd >= 56.65340 and attr rmsd <= 58.25340 ))
3.6 3.6 1.4
peak 1231 ppm1 3.083624 ppm2 4.334222 volume 7630000 weight 1.0
REMARK dnoe: 2.654671 position 5.293441 8.610111
ASSI { 1232 }
( attr rmsd >= 8.550111 and attr rmsd <= 8.670112 )
(( attr rmsd >= 5.253441 and attr rmsd <= 5.333441 )
and bondedto ( attr rmsd >= 56.18442 and attr rmsd <= 57.78442 ))
3.0 3.0 0.5999999
peak 1232 ppm1 8.610111 ppm2 5.293441 volume 21700000 weight 1.0
REMARK dnoe: 2.162818 position 4.415941 3.775614
ASSI { 1233 }
( attr rmsd >= 3.715614 and attr rmsd <= 3.835614 )
(( attr rmsd >= 4.375941 and attr rmsd <= 4.455941 )
and bondedto ( attr rmsd >= 56.60770 and attr rmsd <= 58.20770 ))
2.5 2.5 0.2
peak 1233 ppm1 3.775614 ppm2 4.415941 volume 74200000 weight 1.0
REMARK dnoe: 1.927719 position 4.35141 3.71222
ASSI { 1234 }
( attr rmsd >= 3.65222 and attr rmsd <= 3.77222 )
(( attr rmsd >= 4.31141 and attr rmsd <= 4.39141 )
and bondedto ( attr rmsd >= 56.77175 and attr rmsd <= 58.37175 ))
2.5 2.5 0.2
peak 1234 ppm1 3.71222 ppm2 4.35141 volume 148000000 weight 1.0
REMARK dnoe: 3.177444 position 2.970653 8.418531
ASSI { 1235 }
( attr rmsd >= 8.358531 and attr rmsd <= 8.478532 )
(( attr rmsd >= 2.930653 and attr rmsd <= 3.010653 )
and bondedto ( attr rmsd >= 28.56804 and attr rmsd <= 30.16804 ))
3.6 3.6 1.4
peak 1235 ppm1 8.418531 ppm2 2.970653 volume 7380000 weight 1.0
REMARK dnoe: 3.384845 position 2.806418 8.418531
ASSI { 1236 }
( attr rmsd >= 8.358531 and attr rmsd <= 8.478532 )
(( attr rmsd >= 2.766418 and attr rmsd <= 2.846418 )
and bondedto ( attr rmsd >= 28.54026 and attr rmsd <= 30.14026 ))
3.6 3.6 1.4
peak 1236 ppm1 8.418531 ppm2 2.806418 volume 5050000 weight 1.0
REMARK dnoe: 3.042237 position 2.822855 8.269358
ASSI { 1237 }
( attr rmsd >= 8.209357 and attr rmsd <= 8.329358 )
(( attr rmsd >= 2.782855 and attr rmsd <= 2.862855 )
and bondedto ( attr rmsd >= 28.56213 and attr rmsd <= 30.16213 ))
3.6 3.6 1.4
peak 1237 ppm1 8.269358 ppm2 2.822855 volume 9580000 weight 1.0
REMARK dnoe: 3.101066 position 2.984348 8.269358
ASSI { 1238 }
( attr rmsd >= 8.209357 and attr rmsd <= 8.329358 )
(( attr rmsd >= 2.944348 and attr rmsd <= 3.024348 )
and bondedto ( attr rmsd >= 28.59232 and attr rmsd <= 30.19232 ))
3.6 3.6 1.4
peak 1238 ppm1 8.269358 ppm2 2.984348 volume 8540000 weight 1.0
REMARK dnoe: 2.855832 position 2.984348 7.273156
ASSI { 1239 }
( attr rmsd >= 7.213156 and attr rmsd <= 7.333156 )
(( attr rmsd >= 2.944348 and attr rmsd <= 3.024348 )
and bondedto ( attr rmsd >= 28.55491 and attr rmsd <= 30.15491 ))
3.0 3.0 0.5999999
peak 1239 ppm1 7.273156 ppm2 2.984348 volume 14000000 weight 1.0
REMARK dnoe: 2.829504 position 2.825575 7.280761
ASSI { 1240 }
( attr rmsd >= 7.220761 and attr rmsd <= 7.340761 )
(( attr rmsd >= 2.785575 and attr rmsd <= 2.865575 )
and bondedto ( attr rmsd >= 28.55469 and attr rmsd <= 30.15469 ))
3.0 3.0 0.5999999
peak 1240 ppm1 7.280761 ppm2 2.825575 volume 14800000 weight 1.0
REMARK dnoe: 3.675606 position 1.654099 8.635975
ASSI { 1241 }
( attr rmsd >= 8.575974 and attr rmsd <= 8.695975 )
(( attr rmsd >= 1.614099 and attr rmsd <= 1.694099 )
and bondedto ( attr rmsd >= 28.51510 and attr rmsd <= 30.11510 ))
4.2 4.2 1.8
peak 1241 ppm1 8.635975 ppm2 1.654099 volume 3080000 weight 1.0
REMARK dnoe: 2.526525 position 1.654099 4.725199
ASSI { 1242 }
( attr rmsd >= 4.665199 and attr rmsd <= 4.785199 )
(( attr rmsd >= 1.614099 and attr rmsd <= 1.694099 )
and bondedto ( attr rmsd >= 28.51379 and attr rmsd <= 30.11379 ))
3.0 3.0 0.5999999
peak 1242 ppm1 4.725199 ppm2 1.654099 volume 29200000 weight 1.0
REMARK dnoe: 2.42013 position 2.011669 4.527969
ASSI { 1243 }
( attr rmsd >= 4.467969 and attr rmsd <= 4.587969 )
(( attr rmsd >= 1.971669 and attr rmsd <= 2.051669 )
and bondedto ( attr rmsd >= 28.26289 and attr rmsd <= 29.86289 ))
2.5 2.5 0.2
peak 1243 ppm1 4.527969 ppm2 2.011669 volume 37800000 weight 1.0
REMARK dnoe: 2.316899 position 1.799669 4.508549
ASSI { 1244 }
( attr rmsd >= 4.448549 and attr rmsd <= 4.568549 )
(( attr rmsd >= 1.759669 and attr rmsd <= 1.839669 )
and bondedto ( attr rmsd >= 28.12355 and attr rmsd <= 29.72355 ))
2.5 2.5 0.2
peak 1244 ppm1 4.508549 ppm2 1.799669 volume 49100000 weight 1.0
REMARK dnoe: 2.804787 position 2.970653 4.10453
ASSI { 1245 }
( attr rmsd >= 4.04453 and attr rmsd <= 4.16453 )
(( attr rmsd >= 2.930653 and attr rmsd <= 3.010653 )
and bondedto ( attr rmsd >= 28.58750 and attr rmsd <= 30.18750 ))
3.0 3.0 0.5999999
peak 1245 ppm1 4.10453 ppm2 2.970653 volume 15600000 weight 1.0
REMARK dnoe: 2.731149 position 2.811905 4.100685
ASSI { 1246 }
( attr rmsd >= 4.040685 and attr rmsd <= 4.160685 )
(( attr rmsd >= 2.771905 and attr rmsd <= 2.851905 )
and bondedto ( attr rmsd >= 28.56497 and attr rmsd <= 30.16497 ))
3.0 3.0 0.5999999
peak 1246 ppm1 4.100685 ppm2 2.811905 volume 18300000 weight 1.0
REMARK dnoe: 2.493481 position 2.809162 2.98313
ASSI { 1247 }
( attr rmsd >= 2.92313 and attr rmsd <= 3.04313 )
(( attr rmsd >= 2.769162 and attr rmsd <= 2.849162 )
and bondedto ( attr rmsd >= 28.58488 and attr rmsd <= 30.18488 ))
2.5 2.5 0.2
peak 1247 ppm1 2.98313 ppm2 2.809162 volume 31600002 weight 1.0
REMARK dnoe: 2.625262 position 2.98981 2.811207
ASSI { 1248 }
( attr rmsd >= 2.751207 and attr rmsd <= 2.871207 )
(( attr rmsd >= 2.94981 and attr rmsd <= 3.02981 )
and bondedto ( attr rmsd >= 28.58510 and attr rmsd <= 30.18510 ))
3.0 3.0 0.5999999
peak 1248 ppm1 2.811207 ppm2 2.98981 volume 23200000 weight 1.0
REMARK dnoe: 2.328911 position 1.656842 2.98313
ASSI { 1249 }
( attr rmsd >= 2.92313 and attr rmsd <= 3.04313 )
(( attr rmsd >= 1.616842 and attr rmsd <= 1.696842 )
and bondedto ( attr rmsd >= 28.53282 and attr rmsd <= 30.13282 ))
2.5 2.5 0.2
peak 1249 ppm1 2.98313 ppm2 1.656842 volume 47600000 weight 1.0
REMARK dnoe: 2.32245 position 1.487893 2.948694
ASSI { 1250 }
( attr rmsd >= 2.888694 and attr rmsd <= 3.008694 )
(( attr rmsd >= 1.447893 and attr rmsd <= 1.527893 )
and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
2.5 2.5 0.2
peak 1250 ppm1 2.948694 ppm2 1.487893 volume 48400000 weight 1.0
REMARK dnoe: 2.603289 position 1.807078 2.323686
ASSI { 1251 }
( attr rmsd >= 2.263686 and attr rmsd <= 2.383686 )
(( attr rmsd >= 1.767078 and attr rmsd <= 1.847078 )
and bondedto ( attr rmsd >= 28.28607 and attr rmsd <= 29.88607 ))
3.0 3.0 0.5999999
peak 1251 ppm1 2.323686 ppm2 1.807078 volume 24400000 weight 1.0
REMARK dnoe: 2.553459 position 2.011669 2.316554
ASSI { 1252 }
( attr rmsd >= 2.256554 and attr rmsd <= 2.376554 )
(( attr rmsd >= 1.971669 and attr rmsd <= 2.051669 )
and bondedto ( attr rmsd >= 28.35564 and attr rmsd <= 29.95564 ))
3.0 3.0 0.5999999
peak 1252 ppm1 2.316554 ppm2 2.011669 volume 27399998 weight 1.0
REMARK dnoe: 1.982755 position 1.809564 2.005446
ASSI { 1253 }
( attr rmsd >= 1.945446 and attr rmsd <= 2.065446 )
(( attr rmsd >= 1.769564 and attr rmsd <= 1.849564 )
and bondedto ( attr rmsd >= 28.33245 and attr rmsd <= 29.93245 ))
2.5 2.5 0.2
peak 1253 ppm1 2.005446 ppm2 1.809564 volume 125000000 weight 1.0
REMARK dnoe: 1.980123 position 2.011035 1.811869
ASSI { 1254 }
( attr rmsd >= 1.751869 and attr rmsd <= 1.871869 )
(( attr rmsd >= 1.971035 and attr rmsd <= 2.051035 )
and bondedto ( attr rmsd >= 28.37882 and attr rmsd <= 29.97882 ))
2.5 2.5 0.2
peak 1254 ppm1 1.811869 ppm2 2.011035 volume 126000000 weight 1.0
REMARK dnoe: 2.762197 position 1.653864 0.7244751
ASSI { 1255 }
( attr rmsd >= 0.6644751 and attr rmsd <= 0.7844751 )
(( attr rmsd >= 1.613864 and attr rmsd <= 1.693864 )
and bondedto ( attr rmsd >= 28.55469 and attr rmsd <= 30.15469 ))
3.0 3.0 0.5999999
peak 1255 ppm1 0.7244751 ppm2 1.653864 volume 17100000 weight 1.0
REMARK dnoe: 2.236433 position 1.465054 0.7578158
ASSI { 1256 }
( attr rmsd >= 0.6978158 and attr rmsd <= 0.8178158 )
(( attr rmsd >= 1.425054 and attr rmsd <= 1.505054 )
and bondedto ( attr rmsd >= 28.77300 and attr rmsd <= 30.37300 ))
2.5 2.5 0.2
peak 1256 ppm1 0.7578158 ppm2 1.465054 volume 60700000 weight 1.0
REMARK dnoe: 1.982755 position 1.465735 1.089611
ASSI { 1257 }
( attr rmsd >= 1.029611 and attr rmsd <= 1.149611 )
(( attr rmsd >= 1.425735 and attr rmsd <= 1.505735 )
and bondedto ( attr rmsd >= 28.72663 and attr rmsd <= 30.32663 ))
2.5 2.5 0.2
peak 1257 ppm1 1.089611 ppm2 1.465735 volume 125000000 weight 1.0
REMARK dnoe: 3.010607 position 5.308824 1.167269
ASSI { 1258 }
( attr rmsd >= 1.107269 and attr rmsd <= 1.227269 )
(( attr rmsd >= 5.268824 and attr rmsd <= 5.348824 )
and bondedto ( attr rmsd >= 56.10173 and attr rmsd <= 57.70173 ))
3.6 3.6 1.4
peak 1258 ppm1 1.167269 ppm2 5.308824 volume 10200000 weight 1.0
REMARK dnoe: 4.433575 position 5.288306 9.489405
ASSI { 1259 }
( attr rmsd >= 9.429404 and attr rmsd <= 9.549405 )
(( attr rmsd >= 5.248306 and attr rmsd <= 5.328306 )
and bondedto ( attr rmsd >= 56.13432 and attr rmsd <= 57.73432 ))
4.2 4.2 1.8
peak 1259 ppm1 9.489405 ppm2 5.288306 volume 1000000 weight 1.0
REMARK dnoe: 3.129171 position 5.291636 6.890126
ASSI { 1260 }
( attr rmsd >= 6.830126 and attr rmsd <= 6.950126 )
(( attr rmsd >= 5.251636 and attr rmsd <= 5.331636 )
and bondedto ( attr rmsd >= 56.07636 and attr rmsd <= 57.67636 ))
3.6 3.6 1.4
peak 1260 ppm1 6.890126 ppm2 5.291636 volume 8090000 weight 1.0
REMARK dnoe: 2.767618 position 1.49202 4.110717
ASSI { 1261 }
( attr rmsd >= 4.050717 and attr rmsd <= 4.170717 )
(( attr rmsd >= 1.45202 and attr rmsd <= 1.53202 )
and bondedto ( attr rmsd >= 28.26289 and attr rmsd <= 29.86289 ))
3.0 3.0 0.5999999
peak 1261 ppm1 4.110717 ppm2 1.49202 volume 16900000 weight 1.0
REMARK dnoe: 2.756849 position 1.612595 3.863541
ASSI { 1262 }
( attr rmsd >= 3.803541 and attr rmsd <= 3.923541 )
(( attr rmsd >= 1.572595 and attr rmsd <= 1.652595 )
and bondedto ( attr rmsd >= 28.10124 and attr rmsd <= 29.70124 ))
3.0 3.0 0.5999999
peak 1262 ppm1 3.863541 ppm2 1.612595 volume 17300000 weight 1.0
REMARK dnoe: 2.862689 position 1.752724 3.863541
ASSI { 1263 }
( attr rmsd >= 3.803541 and attr rmsd <= 3.923541 )
(( attr rmsd >= 1.712724 and attr rmsd <= 1.792724 )
and bondedto ( attr rmsd >= 28.09446 and attr rmsd <= 29.69446 ))
3.0 3.0 0.5999999
peak 1263 ppm1 3.863541 ppm2 1.752724 volume 13800000 weight 1.0
REMARK dnoe: 3.34519 position 1.798356 3.594002
ASSI { 1264 }
( attr rmsd >= 3.534002 and attr rmsd <= 3.654002 )
(( attr rmsd >= 1.758356 and attr rmsd <= 1.838356 )
and bondedto ( attr rmsd >= 28.21652 and attr rmsd <= 29.81652 ))
3.6 3.6 1.4
peak 1264 ppm1 3.594002 ppm2 1.798356 volume 5420000 weight 1.0
REMARK dnoe: 3.000879 position 2.010168 3.589491
ASSI { 1265 }
( attr rmsd >= 3.529491 and attr rmsd <= 3.649491 )
(( attr rmsd >= 1.970168 and attr rmsd <= 2.050168 )
and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
3.6 3.6 1.4
peak 1265 ppm1 3.589491 ppm2 2.010168 volume 10400000 weight 1.0
REMARK dnoe: 2.991367 position 2.006909 3.702317
ASSI { 1266 }
( attr rmsd >= 3.642317 and attr rmsd <= 3.762317 )
(( attr rmsd >= 1.966909 and attr rmsd <= 2.046909 )
and bondedto ( attr rmsd >= 28.28607 and attr rmsd <= 29.88607 ))
3.0 3.0 0.5999999
peak 1266 ppm1 3.702317 ppm2 2.006909 volume 10600000 weight 1.0
REMARK dnoe: 2.327284 position 1.612595 1.929485
ASSI { 1267 }
( attr rmsd >= 1.869485 and attr rmsd <= 1.989485 )
(( attr rmsd >= 1.572595 and attr rmsd <= 1.652595 )
and bondedto ( attr rmsd >= 28.11524 and attr rmsd <= 29.71524 ))
2.5 2.5 0.2
peak 1267 ppm1 1.929485 ppm2 1.612595 volume 47800000 weight 1.0
REMARK dnoe: 2.291916 position 1.606638 2.91937
ASSI { 1268 }
( attr rmsd >= 2.85937 and attr rmsd <= 2.97937 )
(( attr rmsd >= 1.566638 and attr rmsd <= 1.646638 )
and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
2.5 2.5 0.2
peak 1268 ppm1 2.91937 ppm2 1.606638 volume 52400000 weight 1.0
REMARK dnoe: 3.142253 position 1.796854 3.709083
ASSI { 1269 }
( attr rmsd >= 3.649083 and attr rmsd <= 3.769083 )
(( attr rmsd >= 1.756854 and attr rmsd <= 1.836854 )
and bondedto ( attr rmsd >= 28.23970 and attr rmsd <= 29.83970 ))
3.6 3.6 1.4
peak 1269 ppm1 3.709083 ppm2 1.796854 volume 0.789e+07 weight 1.0
REMARK dnoe: 3.062274 position 1.651472 3.697805
ASSI { 1270 }
( attr rmsd >= 3.637805 and attr rmsd <= 3.757805 )
(( attr rmsd >= 1.611472 and attr rmsd <= 1.691472 )
and bondedto ( attr rmsd >= 28.58750 and attr rmsd <= 30.18750 ))
3.6 3.6 1.4
peak 1270 ppm1 3.697805 ppm2 1.651472 volume 9210000 weight 1.0
REMARK dnoe: 2.887634 position 1.610718 4.232565
ASSI { 1271 }
( attr rmsd >= 4.172565 and attr rmsd <= 4.292565 )
(( attr rmsd >= 1.570718 and attr rmsd <= 1.650718 )
and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
3.0 3.0 0.5999999
peak 1271 ppm1 4.232565 ppm2 1.610718 volume 13100000 weight 1.0
REMARK dnoe: 2.891324 position 1.512093 -0.0567737
ASSI { 1273 }
( attr rmsd >= -0.1167737 and attr rmsd <= 0.0032263 )
(( attr rmsd >= 1.472093 and attr rmsd <= 1.552093 )
and bondedto ( attr rmsd >= 28.12355 and attr rmsd <= 29.72355 ))
3.0 3.0 0.5999999
peak 1273 ppm1 -0.0567737 ppm2 1.512093 volume 13000000 weight 1.0
REMARK dnoe: 3.233085 position 1.518916 9.847
ASSI { 1274 }
( attr rmsd >= 9.787 and attr rmsd <= 9.907001 )
(( attr rmsd >= 1.478916 and attr rmsd <= 1.558916 )
and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
3.6 3.6 1.4
peak 1274 ppm1 9.847 ppm2 1.518916 volume 6650000 weight 1.0
REMARK dnoe: 2.986689 position 1.512937 7.325337
ASSI { 1275 }
( attr rmsd >= 7.265337 and attr rmsd <= 7.385337 )
(( attr rmsd >= 1.472937 and attr rmsd <= 1.552937 )
and bondedto ( attr rmsd >= 28.15592 and attr rmsd <= 29.75592 ))
3.0 3.0 0.5999999
peak 1275 ppm1 7.325337 ppm2 1.512937 volume 10700000 weight 1.0
REMARK dnoe: 3.520399 position 1.796667 8.355373
ASSI { 1276 }
( attr rmsd >= 8.295373 and attr rmsd <= 8.415374 )
(( attr rmsd >= 1.756667 and attr rmsd <= 1.836667 )
and bondedto ( attr rmsd >= 28.14236 and attr rmsd <= 29.74236 ))
3.6 3.6 1.4
peak 1276 ppm1 8.355373 ppm2 1.796667 volume 3990000 weight 1.0
REMARK dnoe: 3.665754 position 2.005736 8.336039
ASSI { 1277 }
( attr rmsd >= 8.276038 and attr rmsd <= 8.396039 )
(( attr rmsd >= 1.965736 and attr rmsd <= 2.045736 )
and bondedto ( attr rmsd >= 28.12333 and attr rmsd <= 29.72333 ))
4.2 4.2 1.8
peak 1277 ppm1 8.336039 ppm2 2.005736 volume 3130000 weight 1.0
REMARK dnoe: 2.603289 position 4.937911 8.571528
ASSI { 1278 }
( attr rmsd >= 8.511528 and attr rmsd <= 8.631529 )
(( attr rmsd >= 4.897911 and attr rmsd <= 4.977911 )
and bondedto ( attr rmsd >= 55.45732 and attr rmsd <= 57.05732 ))
3.0 3.0 0.5999999
peak 1278 ppm1 8.571528 ppm2 4.937911 volume 24400000 weight 1.0
REMARK dnoe: 2.410657 position 4.145108 8.273009
ASSI { 1279 }
( attr rmsd >= 8.213009 and attr rmsd <= 8.33301 )
(( attr rmsd >= 4.105108 and attr rmsd <= 4.185108 )
and bondedto ( attr rmsd >= 55.23660 and attr rmsd <= 56.83660 ))
2.5 2.5 0.2
peak 1279 ppm1 8.273009 ppm2 4.145108 volume 38700000 weight 1.0
REMARK dnoe: 2.883976 position 4.515575 8.08216
ASSI { 1280 }
( attr rmsd >= 8.02216 and attr rmsd <= 8.14216 )
(( attr rmsd >= 4.475575 and attr rmsd <= 4.555575 )
and bondedto ( attr rmsd >= 55.78259 and attr rmsd <= 57.38259 ))
3.0 3.0 0.5999999
peak 1280 ppm1 8.08216 ppm2 4.515575 volume 13200000 weight 1.0
REMARK dnoe: 3.062274 position 4.540782 7.942225
ASSI { 1281 }
( attr rmsd >= 7.882225 and attr rmsd <= 8.002225 )
(( attr rmsd >= 4.500782 and attr rmsd <= 4.580782 )
and bondedto ( attr rmsd >= 55.47000 and attr rmsd <= 57.07000 ))
3.6 3.6 1.4
peak 1281 ppm1 7.942225 ppm2 4.540782 volume 9210000 weight 1.0
REMARK dnoe: 3.24126 position 4.941499 6.910384
ASSI { 1283 }
( attr rmsd >= 6.850384 and attr rmsd <= 6.970384 )
(( attr rmsd >= 4.901499 and attr rmsd <= 4.981499 )
and bondedto ( attr rmsd >= 55.47089 and attr rmsd <= 57.07089 ))
3.6 3.6 1.4
peak 1283 ppm1 6.910384 ppm2 4.941499 volume 0.655e+07 weight 1.0
REMARK dnoe: 3.222669 position 4.135049 7.302888
ASSI { 1284 }
( attr rmsd >= 7.242888 and attr rmsd <= 7.362888 )
(( attr rmsd >= 4.095049 and attr rmsd <= 4.175049 )
and bondedto ( attr rmsd >= 55.26876 and attr rmsd <= 56.86876 ))
3.6 3.6 1.4
peak 1284 ppm1 7.302888 ppm2 4.135049 volume 0.678e+07 weight 1.0
REMARK dnoe: 3.293577 position 1.375949 9.878472
ASSI { 1285 }
( attr rmsd >= 9.818472 and attr rmsd <= 9.938473 )
(( attr rmsd >= 1.335949 and attr rmsd <= 1.415949 )
and bondedto ( attr rmsd >= 27.63444 and attr rmsd <= 29.23444 ))
3.6 3.6 1.4
peak 1285 ppm1 9.878472 ppm2 1.375949 volume 5950001 weight 1.0
REMARK dnoe: 3.601561 position 0.9992211 9.859224
ASSI { 1286 }
( attr rmsd >= 9.799224 and attr rmsd <= 9.919225 )
(( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )
and bondedto ( attr rmsd >= 27.61082 and attr rmsd <= 29.21082 ))
4.2 4.2 1.8
peak 1286 ppm1 9.859224 ppm2 0.9992211 volume 3480000 weight 1.0
REMARK dnoe: 3.155728 position 1.500392 8.783602
ASSI { 1287 }
( attr rmsd >= 8.723601 and attr rmsd <= 8.843602 )
(( attr rmsd >= 1.460392 and attr rmsd <= 1.540392 )
and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
3.6 3.6 1.4
peak 1287 ppm1 8.783602 ppm2 1.500392 volume 7690000 weight 1.0
REMARK dnoe: 3.312399 position 1.658389 8.762614
ASSI { 1288 }
( attr rmsd >= 8.702614 and attr rmsd <= 8.822615 )
(( attr rmsd >= 1.618389 and attr rmsd <= 1.698389 )
and bondedto ( attr rmsd >= 27.65084 and attr rmsd <= 29.25084 ))
3.6 3.6 1.4
peak 1288 ppm1 8.762614 ppm2 1.658389 volume 5750000 weight 1.0
REMARK dnoe: 3.637266 position 1.634073 8.01056
ASSI { 1289 }
( attr rmsd >= 7.95056 and attr rmsd <= 8.07056 )
(( attr rmsd >= 1.594073 and attr rmsd <= 1.674073 )
and bondedto ( attr rmsd >= 27.69656 and attr rmsd <= 29.29656 ))
4.2 4.2 1.8
peak 1289 ppm1 8.01056 ppm2 1.634073 volume 3280000 weight 1.0
REMARK dnoe: 3.594708 position 1.507684 8.026306
ASSI { 1290 }
( attr rmsd >= 7.966306 and attr rmsd <= 8.086307 )
(( attr rmsd >= 1.467684 and attr rmsd <= 1.547684 )
and bondedto ( attr rmsd >= 27.69656 and attr rmsd <= 29.29656 ))
3.6 3.6 1.4
peak 1290 ppm1 8.026306 ppm2 1.507684 volume 3520000 weight 1.0
REMARK dnoe: 3.798108 position 2.14453 6.870985
ASSI { 1291 }
( attr rmsd >= 6.810985 and attr rmsd <= 6.930985 )
(( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )
and bondedto ( attr rmsd >= 27.62853 and attr rmsd <= 29.22853 ))
4.2 4.2 1.8
peak 1291 ppm1 6.870985 ppm2 2.14453 volume 2530000 weight 1.0
REMARK dnoe: 3.286254 position 1.81892 6.870985
ASSI { 1292 }
( attr rmsd >= 6.810985 and attr rmsd <= 6.930985 )
(( attr rmsd >= 1.77892 and attr rmsd <= 1.85892 )
and bondedto ( attr rmsd >= 27.63050 and attr rmsd <= 29.23050 ))
3.6 3.6 1.4
peak 1292 ppm1 6.870985 ppm2 1.81892 volume 6030000 weight 1.0
REMARK dnoe: 3.808209 position 2.14453 6.570168
ASSI { 1293 }
( attr rmsd >= 6.510168 and attr rmsd <= 6.630168 )
(( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )
and bondedto ( attr rmsd >= 27.69897 and attr rmsd <= 29.29897 ))
4.2 4.2 1.8
peak 1293 ppm1 6.570168 ppm2 2.14453 volume 2490000 weight 1.0
REMARK dnoe: 2.790078 position 1.423269 6.119382
ASSI { 1294 }
( attr rmsd >= 6.059382 and attr rmsd <= 6.179382 )
(( attr rmsd >= 1.383269 and attr rmsd <= 1.463269 )
and bondedto ( attr rmsd >= 27.35379 and attr rmsd <= 28.95379 ))
3.0 3.0 0.5999999
peak 1294 ppm1 6.119382 ppm2 1.423269 volume 16100000 weight 1.0
REMARK dnoe: 3.166806 position 1.421369 5.641099
ASSI { 1295 }
( attr rmsd >= 5.581099 and attr rmsd <= 5.701099 )
(( attr rmsd >= 1.381369 and attr rmsd <= 1.461369 )
and bondedto ( attr rmsd >= 27.26236 and attr rmsd <= 28.86236 ))
3.6 3.6 1.4
peak 1295 ppm1 5.641099 ppm2 1.421369 volume 7530000 weight 1.0
REMARK dnoe: 2.845758 position 1.41002 5.383031
ASSI { 1296 }
( attr rmsd >= 5.323031 and attr rmsd <= 5.443031 )
(( attr rmsd >= 1.37002 and attr rmsd <= 1.45002 )
and bondedto ( attr rmsd >= 27.49094 and attr rmsd <= 29.09094 ))
3.0 3.0 0.5999999
peak 1296 ppm1 5.383031 ppm2 1.41002 volume 14300001 weight 1.0
REMARK dnoe: 3.288987 position 1.654216 5.132267
ASSI { 1297 }
( attr rmsd >= 5.072267 and attr rmsd <= 5.192267 )
(( attr rmsd >= 1.614216 and attr rmsd <= 1.694216 )
and bondedto ( attr rmsd >= 27.50254 and attr rmsd <= 29.10254 ))
3.6 3.6 1.4
peak 1297 ppm1 5.132267 ppm2 1.654216 volume 6000000 weight 1.0
REMARK dnoe: 3.155728 position 1.498985 5.141011
ASSI { 1298 }
( attr rmsd >= 5.081011 and attr rmsd <= 5.201011 )
(( attr rmsd >= 1.458985 and attr rmsd <= 1.538985 )
and bondedto ( attr rmsd >= 27.50626 and attr rmsd <= 29.10626 ))
3.6 3.6 1.4
peak 1298 ppm1 5.141011 ppm2 1.498985 volume 7690000 weight 1.0
REMARK dnoe: 2.839178 position 1.378857 4.873405
ASSI { 1299 }
( attr rmsd >= 4.813405 and attr rmsd <= 4.933405 )
(( attr rmsd >= 1.338857 and attr rmsd <= 1.418857 )
and bondedto ( attr rmsd >= 27.55941 and attr rmsd <= 29.15941 ))
3.0 3.0 0.5999999
peak 1299 ppm1 4.873405 ppm2 1.378857 volume 14500000 weight 1.0
REMARK dnoe: 2.982062 position 1.004521 4.864662
ASSI { 1300 }
( attr rmsd >= 4.804662 and attr rmsd <= 4.924662 )
(( attr rmsd >= 0.964521 and attr rmsd <= 1.044521 )
and bondedto ( attr rmsd >= 27.67359 and attr rmsd <= 29.27359 ))
3.0 3.0 0.5999999
peak 1300 ppm1 4.864662 ppm2 1.004521 volume 10800000 weight 1.0
REMARK dnoe: 2.746366 position 2.14263 3.970438
ASSI { 1301 }
( attr rmsd >= 3.910438 and attr rmsd <= 4.030438 )
(( attr rmsd >= 2.10263 and attr rmsd <= 2.18263 )
and bondedto ( attr rmsd >= 27.68781 and attr rmsd <= 29.28781 ))
3.0 3.0 0.5999999
peak 1301 ppm1 3.970438 ppm2 2.14263 volume 17700000 weight 1.0
REMARK dnoe: 2.7872 position 1.841641 3.970438
ASSI { 1302 }
( attr rmsd >= 3.910438 and attr rmsd <= 4.030438 )
(( attr rmsd >= 1.801641 and attr rmsd <= 1.881641 )
and bondedto ( attr rmsd >= 27.68672 and attr rmsd <= 29.28672 ))
3.0 3.0 0.5999999
peak 1302 ppm1 3.970438 ppm2 1.841641 volume 16200000 weight 1.0
REMARK dnoe: 2.942544 position 2.14453 3.433508
ASSI { 1303 }
( attr rmsd >= 3.373508 and attr rmsd <= 3.493508 )
(( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )
and bondedto ( attr rmsd >= 27.67731 and attr rmsd <= 29.27731 ))
3.0 3.0 0.5999999
peak 1303 ppm1 3.433508 ppm2 2.14453 volume 11700000 weight 1.0
REMARK dnoe: 3.188338 position 1.843518 3.433508
ASSI { 1304 }
( attr rmsd >= 3.373508 and attr rmsd <= 3.493508 )
(( attr rmsd >= 1.803518 and attr rmsd <= 1.883518 )
and bondedto ( attr rmsd >= 27.68344 and attr rmsd <= 29.28344 ))
3.6 3.6 1.4
peak 1304 ppm1 3.433508 ppm2 1.843518 volume 7230000 weight 1.0
REMARK dnoe: 2.601515 position 1.652668 3.195698
ASSI { 1305 }
( attr rmsd >= 3.135698 and attr rmsd <= 3.255698 )
(( attr rmsd >= 1.612668 and attr rmsd <= 1.692668 )
and bondedto ( attr rmsd >= 27.63356 and attr rmsd <= 29.23356 ))
3.0 3.0 0.5999999
peak 1305 ppm1 3.195698 ppm2 1.652668 volume 24500000 weight 1.0
REMARK dnoe: 2.684343 position 1.507356 3.196149
ASSI { 1306 }
( attr rmsd >= 3.136149 and attr rmsd <= 3.256149 )
(( attr rmsd >= 1.467356 and attr rmsd <= 1.547356 )
and bondedto ( attr rmsd >= 27.62788 and attr rmsd <= 29.22788 ))
3.0 3.0 0.5999999
peak 1306 ppm1 3.196149 ppm2 1.507356 volume 20300000 weight 1.0
REMARK dnoe: 2.764899 position 1.423269 2.652989
ASSI { 1307 }
( attr rmsd >= 2.592989 and attr rmsd <= 2.712989 )
(( attr rmsd >= 1.383269 and attr rmsd <= 1.463269 )
and bondedto ( attr rmsd >= 27.28532 and attr rmsd <= 28.88532 ))
3.0 3.0 0.5999999
peak 1307 ppm1 2.652989 ppm2 1.423269 volume 17000000 weight 1.0
REMARK dnoe: 2.849088 position 1.430843 2.468348
ASSI { 1308 }
( attr rmsd >= 2.408348 and attr rmsd <= 2.528348 )
(( attr rmsd >= 1.390843 and attr rmsd <= 1.470843 )
and bondedto ( attr rmsd >= 27.35379 and attr rmsd <= 28.95379 ))
3.0 3.0 0.5999999
peak 1308 ppm1 2.468348 ppm2 1.430843 volume 14200000 weight 1.0
REMARK dnoe: 2.183924 position 0.9992211 0.6638947
ASSI { 1309 }
( attr rmsd >= 0.6038947 and attr rmsd <= 0.7238947 )
(( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )
and bondedto ( attr rmsd >= 27.64166 and attr rmsd <= 29.24166 ))
2.5 2.5 0.2
peak 1309 ppm1 0.6638947 ppm2 0.9992211 volume 70000000 weight 1.0
REMARK dnoe: 2.349079 position 0.9973221 0.8353026
ASSI { 1310 }
( attr rmsd >= 0.7753026 and attr rmsd <= 0.8953026 )
(( attr rmsd >= 0.9573221 and attr rmsd <= 1.037322 )
and bondedto ( attr rmsd >= 27.64056 and attr rmsd <= 29.24056 ))
2.5 2.5 0.2
peak 1310 ppm1 0.8353026 ppm2 0.9973221 volume 45200000 weight 1.0
REMARK dnoe: 2.103794 position 0.9992211 1.372232
ASSI { 1311 }
( attr rmsd >= 1.312232 and attr rmsd <= 1.432232 )
(( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )
and bondedto ( attr rmsd >= 27.63750 and attr rmsd <= 29.23750 ))
2.5 2.5 0.2
peak 1311 ppm1 1.372232 ppm2 0.9992211 volume 87600000 weight 1.0
REMARK dnoe: 3.388208 position 0.9992211 1.888174
ASSI { 1313 }
( attr rmsd >= 1.828174 and attr rmsd <= 1.948174 )
(( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )
and bondedto ( attr rmsd >= 27.63444 and attr rmsd <= 29.23444 ))
3.6 3.6 1.4
peak 1313 ppm1 1.888174 ppm2 0.9992211 volume 0.502e+07 weight 1.0
REMARK dnoe: 2.028537 position 1.375949 0.6557531
ASSI { 1314 }
( attr rmsd >= 0.5957531 and attr rmsd <= 0.7157531 )
(( attr rmsd >= 1.335949 and attr rmsd <= 1.415949 )
and bondedto ( attr rmsd >= 27.65084 and attr rmsd <= 29.25084 ))
2.5 2.5 0.2
peak 1314 ppm1 0.6557531 ppm2 1.375949 volume 109000000 weight 1.0
REMARK dnoe: 2.203227 position 1.373792 1.000566
ASSI { 1315 }
( attr rmsd >= 0.940566 and attr rmsd <= 1.060566 )
(( attr rmsd >= 1.333792 and attr rmsd <= 1.413792 )
and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
2.5 2.5 0.2
peak 1315 ppm1 1.000566 ppm2 1.373792 volume 66399996 weight 1.0
REMARK dnoe: 2.421199 position 1.377825 1.892642
ASSI { 1316 }
( attr rmsd >= 1.832642 and attr rmsd <= 1.952642 )
(( attr rmsd >= 1.337825 and attr rmsd <= 1.417825 )
and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
2.5 2.5 0.2
peak 1316 ppm1 1.892642 ppm2 1.377825 volume 37700000 weight 1.0
REMARK dnoe: 2.497449 position 1.500885 2.026113
ASSI { 1317 }
( attr rmsd >= 1.966113 and attr rmsd <= 2.086113 )
(( attr rmsd >= 1.460885 and attr rmsd <= 1.540885 )
and bondedto ( attr rmsd >= 27.51369 and attr rmsd <= 29.11369 ))
2.5 2.5 0.2
peak 1317 ppm1 2.026113 ppm2 1.500885 volume 31300000 weight 1.0
REMARK dnoe: 1.58118 position 1.627719 1.761385
ASSI { 1318 }
( attr rmsd >= 1.701385 and attr rmsd <= 1.821385 )
(( attr rmsd >= 1.587719 and attr rmsd <= 1.667719 )
and bondedto ( attr rmsd >= 28.19924 and attr rmsd <= 29.79924 ))
2.5 2.5 0.2
peak 1318 ppm1 1.761385 ppm2 1.627719 volume 486000000 weight 1.0
REMARK dnoe: 1.719344 position 1.510358 1.661278
ASSI { 1319 }
( attr rmsd >= 1.601278 and attr rmsd <= 1.721278 )
(( attr rmsd >= 1.470358 and attr rmsd <= 1.550358 )
and bondedto ( attr rmsd >= 27.55941 and attr rmsd <= 29.15941 ))
2.5 2.5 0.2
peak 1319 ppm1 1.661278 ppm2 1.510358 volume 294000000 weight 1.0
REMARK dnoe: 2.493481 position 1.654216 2.0239
ASSI { 1320 }
( attr rmsd >= 1.9639 and attr rmsd <= 2.0839 )
(( attr rmsd >= 1.614216 and attr rmsd <= 1.694216 )
and bondedto ( attr rmsd >= 27.58238 and attr rmsd <= 29.18238 ))
2.5 2.5 0.2
peak 1320 ppm1 2.0239 ppm2 1.654216 volume 31600002 weight 1.0
REMARK dnoe: 2.391478 position 1.83918 2.141795
ASSI { 1321 }
( attr rmsd >= 2.081795 and attr rmsd <= 2.201795 )
(( attr rmsd >= 1.79918 and attr rmsd <= 1.87918 )
and bondedto ( attr rmsd >= 27.71931 and attr rmsd <= 29.31931 ))
2.5 2.5 0.2
peak 1321 ppm1 2.141795 ppm2 1.83918 volume 40600000 weight 1.0
REMARK dnoe: 2.169199 position 2.14453 1.844458
ASSI { 1322 }
( attr rmsd >= 1.784458 and attr rmsd <= 1.904458 )
(( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )
and bondedto ( attr rmsd >= 27.69109 and attr rmsd <= 29.29109 ))
2.5 2.5 0.2
peak 1322 ppm1 1.844458 ppm2 2.14453 volume 72900000 weight 1.0
REMARK dnoe: 2.951012 position 2.14453 1.583855
ASSI { 1323 }
( attr rmsd >= 1.523855 and attr rmsd <= 1.643855 )
(( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )
and bondedto ( attr rmsd >= 27.71209 and attr rmsd <= 29.31209 ))
3.0 3.0 0.5999999
peak 1323 ppm1 1.583855 ppm2 2.14453 volume 11500000 weight 1.0
REMARK dnoe: 2.258022 position 1.837843 1.565617
ASSI { 1324 }
( attr rmsd >= 1.505617 and attr rmsd <= 1.625617 )
(( attr rmsd >= 1.797843 and attr rmsd <= 1.877843 )
and bondedto ( attr rmsd >= 27.87921 and attr rmsd <= 29.47921 ))
2.5 2.5 0.2
peak 1324 ppm1 1.565617 ppm2 1.837843 volume 57300000 weight 1.0
REMARK dnoe: 2.754202 position 1.917381 0.9722526
ASSI { 1325 }
( attr rmsd >= 0.9122526 and attr rmsd <= 1.032253 )
(( attr rmsd >= 1.877381 and attr rmsd <= 1.957381 )
and bondedto ( attr rmsd >= 33.36224 and attr rmsd <= 34.96224 ))
3.0 3.0 0.5999999
peak 1325 ppm1 0.9722526 ppm2 1.917381 volume 17400000 weight 1.0
REMARK dnoe: 3.185407 position 2.149289 0.1040864
ASSI { 1326 }
( attr rmsd >= 0.0440864 and attr rmsd <= 0.1640864 )
(( attr rmsd >= 2.109289 and attr rmsd <= 2.189289 )
and bondedto ( attr rmsd >= 27.70378 and attr rmsd <= 29.30378 ))
3.6 3.6 1.4
peak 1326 ppm1 0.1040864 ppm2 2.149289 volume 7270000 weight 1.0
REMARK dnoe: 3.077498 position 1.848677 0.1130443
ASSI { 1327 }
( attr rmsd >= 0.0530443 and attr rmsd <= 0.1730443 )
(( attr rmsd >= 1.808677 and attr rmsd <= 1.888677 )
and bondedto ( attr rmsd >= 27.69219 and attr rmsd <= 29.29219 ))
3.6 3.6 1.4
peak 1327 ppm1 0.1130443 ppm2 1.848677 volume 8940000 weight 1.0
REMARK dnoe: 2.500118 position 5.497164 9.212927
ASSI { 1328 }
( attr rmsd >= 9.152926 and attr rmsd <= 9.272927 )
(( attr rmsd >= 5.457164 and attr rmsd <= 5.537164 )
and bondedto ( attr rmsd >= 55.20839 and attr rmsd <= 56.80839 ))
3.0 3.0 0.5999999
peak 1328 ppm1 9.212927 ppm2 5.497164 volume 31099998 weight 1.0
REMARK dnoe: 3.271062 position 5.500799 8.589445
ASSI { 1329 }
( attr rmsd >= 8.529445 and attr rmsd <= 8.649446 )
(( attr rmsd >= 5.460799 and attr rmsd <= 5.540799 )
and bondedto ( attr rmsd >= 55.25191 and attr rmsd <= 56.85191 ))
3.6 3.6 1.4
peak 1329 ppm1 8.589445 ppm2 5.500799 volume 6200000 weight 1.0
REMARK dnoe: 3.303837 position 5.49904 8.355631
ASSI { 1330 }
( attr rmsd >= 8.29563 and attr rmsd <= 8.415631 )
(( attr rmsd >= 5.45904 and attr rmsd <= 5.53904 )
and bondedto ( attr rmsd >= 55.20226 and attr rmsd <= 56.80226 ))
3.6 3.6 1.4
peak 1330 ppm1 8.355631 ppm2 5.49904 volume 5840000 weight 1.0
REMARK dnoe: 2.807795 position 4.935543 8.015436
ASSI { 1331 }
( attr rmsd >= 7.955436 and attr rmsd <= 8.075437 )
(( attr rmsd >= 4.895543 and attr rmsd <= 4.975543 )
and bondedto ( attr rmsd >= 55.39388 and attr rmsd <= 56.99388 ))
3.0 3.0 0.5999999
peak 1331 ppm1 8.015436 ppm2 4.935543 volume 15500000 weight 1.0
REMARK dnoe: 2.33384 position 4.134556 7.81797
ASSI { 1332 }
( attr rmsd >= 7.75797 and attr rmsd <= 7.87797 )
(( attr rmsd >= 4.094556 and attr rmsd <= 4.174556 )
and bondedto ( attr rmsd >= 54.77724 and attr rmsd <= 56.37724 ))
2.5 2.5 0.2
peak 1332 ppm1 7.81797 ppm2 4.134556 volume 47000000 weight 1.0
REMARK dnoe: 3.149615 position 4.141942 8.087553
ASSI { 1333 }
( attr rmsd >= 8.027553 and attr rmsd <= 8.147553 )
(( attr rmsd >= 4.101942 and attr rmsd <= 4.181942 )
and bondedto ( attr rmsd >= 55.19351 and attr rmsd <= 56.79351 ))
3.6 3.6 1.4
peak 1333 ppm1 8.087553 ppm2 4.141942 volume 7780000 weight 1.0
REMARK dnoe: 2.855832 position 5.502393 6.853799
ASSI { 1334 }
( attr rmsd >= 6.793799 and attr rmsd <= 6.913799 )
(( attr rmsd >= 5.462393 and attr rmsd <= 5.542393 )
and bondedto ( attr rmsd >= 55.18520 and attr rmsd <= 56.78520 ))
3.0 3.0 0.5999999
peak 1334 ppm1 6.853799 ppm2 5.502393 volume 14000000 weight 1.0
REMARK dnoe: 2.673479 position 5.499931 4.736606
ASSI { 1335 }
( attr rmsd >= 4.676606 and attr rmsd <= 4.796606 )
(( attr rmsd >= 5.459931 and attr rmsd <= 5.539931 )
and bondedto ( attr rmsd >= 55.23157 and attr rmsd <= 56.83157 ))
3.0 3.0 0.5999999
peak 1335 ppm1 4.736606 ppm2 5.499931 volume 20800000 weight 1.0
REMARK dnoe: 2.463244 position 4.940467 3.30268
ASSI { 1336 }
( attr rmsd >= 3.24268 and attr rmsd <= 3.36268 )
(( attr rmsd >= 4.900467 and attr rmsd <= 4.980467 )
and bondedto ( attr rmsd >= 55.34357 and attr rmsd <= 56.94357 ))
2.5 2.5 0.2
peak 1336 ppm1 3.30268 ppm2 4.940467 volume 34000000 weight 1.0
REMARK dnoe: 2.328911 position 4.940467 3.121326
ASSI { 1337 }
( attr rmsd >= 3.061326 and attr rmsd <= 3.181326 )
(( attr rmsd >= 4.900467 and attr rmsd <= 4.980467 )
and bondedto ( attr rmsd >= 55.36829 and attr rmsd <= 56.96829 ))
2.5 2.5 0.2
peak 1337 ppm1 3.121326 ppm2 4.940467 volume 47600000 weight 1.0
REMARK dnoe: 2.515169 position 5.502393 2.672044
ASSI { 1338 }
( attr rmsd >= 2.612044 and attr rmsd <= 2.732044 )
(( attr rmsd >= 5.462393 and attr rmsd <= 5.542393 )
and bondedto ( attr rmsd >= 55.16201 and attr rmsd <= 56.76201 ))
3.0 3.0 0.5999999
peak 1338 ppm1 2.672044 ppm2 5.502393 volume 30000002 weight 1.0
REMARK dnoe: 2.642631 position 4.235316 1.322071
ASSI { 1341 }
( attr rmsd >= 1.262071 and attr rmsd <= 1.382071 )
(( attr rmsd >= 4.195316 and attr rmsd <= 4.275316 )
and bondedto ( attr rmsd >= 55.42932 and attr rmsd <= 57.02932 ))
3.0 3.0 0.5999999
peak 1341 ppm1 1.322071 ppm2 4.235316 volume 22300000 weight 1.0
REMARK dnoe: 2.228548 position 4.141521 1.636315
ASSI { 1342 }
( attr rmsd >= 1.576315 and attr rmsd <= 1.696315 )
(( attr rmsd >= 4.101521 and attr rmsd <= 4.181521 )
and bondedto ( attr rmsd >= 55.22566 and attr rmsd <= 56.82566 ))
2.5 2.5 0.2
peak 1342 ppm1 1.636315 ppm2 4.141521 volume 62000000 weight 1.0
REMARK dnoe: 2.349079 position 4.145554 1.762932
ASSI { 1343 }
( attr rmsd >= 1.702932 and attr rmsd <= 1.822932 )
(( attr rmsd >= 4.105554 and attr rmsd <= 4.185554 )
and bondedto ( attr rmsd >= 55.22566 and attr rmsd <= 56.82566 ))
2.5 2.5 0.2
peak 1343 ppm1 1.762932 ppm2 4.145554 volume 45200000 weight 1.0
REMARK dnoe: 2.619646 position 4.337177 1.805296
ASSI { 1344 }
( attr rmsd >= 1.745296 and attr rmsd <= 1.865296 )
(( attr rmsd >= 4.297177 and attr rmsd <= 4.377177 )
and bondedto ( attr rmsd >= 55.26220 and attr rmsd <= 56.86220 ))
3.0 3.0 0.5999999
peak 1344 ppm1 1.805296 ppm2 4.337177 volume 23500000 weight 1.0
REMARK dnoe: 2.751573 position 4.337177 1.549849
ASSI { 1345 }
( attr rmsd >= 1.489849 and attr rmsd <= 1.609849 )
(( attr rmsd >= 4.297177 and attr rmsd <= 4.377177 )
and bondedto ( attr rmsd >= 55.17514 and attr rmsd <= 56.77514 ))
3.0 3.0 0.5999999
peak 1345 ppm1 1.549849 ppm2 4.337177 volume 17500000 weight 1.0
REMARK dnoe: 2.284707 position 4.236324 1.738872
ASSI { 1346 }
( attr rmsd >= 1.678872 and attr rmsd <= 1.798872 )
(( attr rmsd >= 4.196324 and attr rmsd <= 4.276324 )
and bondedto ( attr rmsd >= 55.44003 and attr rmsd <= 57.04003 ))
2.5 2.5 0.2
peak 1346 ppm1 1.738872 ppm2 4.236324 volume 53399996 weight 1.0
REMARK dnoe: 2.736156 position 4.339194 1.684285
ASSI { 1347 }
( attr rmsd >= 1.624285 and attr rmsd <= 1.744285 )
(( attr rmsd >= 4.299194 and attr rmsd <= 4.379194 )
and bondedto ( attr rmsd >= 55.18542 and attr rmsd <= 56.78542 ))
3.0 3.0 0.5999999
peak 1347 ppm1 1.684285 ppm2 4.339194 volume 18100000 weight 1.0
REMARK dnoe: 2.435401 position 4.118423 1.088923
ASSI { 1348 }
( attr rmsd >= 1.028923 and attr rmsd <= 1.148923 )
(( attr rmsd >= 4.078423 and attr rmsd <= 4.158423 )
and bondedto ( attr rmsd >= 54.73831 and attr rmsd <= 56.33831 ))
2.5 2.5 0.2
peak 1348 ppm1 1.088923 ppm2 4.118423 volume 36400000 weight 1.0
REMARK dnoe: 2.991367 position 1.789304 7.164069
ASSI { 1349 }
( attr rmsd >= 7.104069 and attr rmsd <= 7.224069 )
(( attr rmsd >= 1.749304 and attr rmsd <= 1.829304 )
and bondedto ( attr rmsd >= 27.28883 and attr rmsd <= 28.88883 ))
3.0 3.0 0.5999999
peak 1349 ppm1 7.164069 ppm2 1.789304 volume 10600000 weight 1.0
REMARK dnoe: 2.826331 position 1.418533 7.213457
ASSI { 1350 }
( attr rmsd >= 7.153457 and attr rmsd <= 7.273457 )
(( attr rmsd >= 1.378533 and attr rmsd <= 1.458533 )
and bondedto ( attr rmsd >= 27.38223 and attr rmsd <= 28.98223 ))
3.0 3.0 0.5999999
peak 1350 ppm1 7.213457 ppm2 1.418533 volume 14900000 weight 1.0
REMARK dnoe: 2.977485 position 1.419071 9.31731
ASSI { 1351 }
( attr rmsd >= 9.25731 and attr rmsd <= 9.377311 )
(( attr rmsd >= 1.379071 and attr rmsd <= 1.459071 )
and bondedto ( attr rmsd >= 27.45113 and attr rmsd <= 29.05113 ))
3.0 3.0 0.5999999
peak 1351 ppm1 9.31731 ppm2 1.419071 volume 10900000 weight 1.0
REMARK dnoe: 3.085604 position 1.275401 8.333181
ASSI { 1352 }
( attr rmsd >= 8.273181 and attr rmsd <= 8.393182 )
(( attr rmsd >= 1.235401 and attr rmsd <= 1.315401 )
and bondedto ( attr rmsd >= 27.12652 and attr rmsd <= 28.72652 ))
3.6 3.6 1.4
peak 1352 ppm1 8.333181 ppm2 1.275401 volume 8800000 weight 1.0
REMARK dnoe: 3.339058 position 0.8863153 8.333181
ASSI { 1353 }
( attr rmsd >= 8.273181 and attr rmsd <= 8.393182 )
(( attr rmsd >= 0.8463153 and attr rmsd <= 0.9263153 )
and bondedto ( attr rmsd >= 27.10333 and attr rmsd <= 28.70333 ))
3.6 3.6 1.4
peak 1353 ppm1 8.333181 ppm2 0.8863153 volume 5480000 weight 1.0
REMARK dnoe: 2.996096 position 1.469955 6.869202
ASSI { 1354 }
( attr rmsd >= 6.809202 and attr rmsd <= 6.929202 )
(( attr rmsd >= 1.429955 and attr rmsd <= 1.509955 )
and bondedto ( attr rmsd >= 26.89465 and attr rmsd <= 28.49465 ))
3.0 3.0 0.5999999
peak 1354 ppm1 6.869202 ppm2 1.469955 volume 10500000 weight 1.0
REMARK dnoe: 2.891324 position 1.795729 0.5400276
ASSI { 1355 }
( attr rmsd >= 0.4800276 and attr rmsd <= 0.6000276 )
(( attr rmsd >= 1.755729 and attr rmsd <= 1.835729 )
and bondedto ( attr rmsd >= 27.03377 and attr rmsd <= 28.63377 ))
3.0 3.0 0.5999999
peak 1355 ppm1 0.5400276 ppm2 1.795729 volume 13000000 weight 1.0
REMARK dnoe: 2.762197 position 1.791743 0.9396639
ASSI { 1356 }
( attr rmsd >= 0.8796639 and attr rmsd <= 0.9996639 )
(( attr rmsd >= 1.751743 and attr rmsd <= 1.831743 )
and bondedto ( attr rmsd >= 27.19608 and attr rmsd <= 28.79608 ))
3.0 3.0 0.5999999
peak 1356 ppm1 0.9396639 ppm2 1.791743 volume 17100000 weight 1.0
REMARK dnoe: 3.154362 position 1.791743 1.095454
ASSI { 1357 }
( attr rmsd >= 1.035454 and attr rmsd <= 1.155454 )
(( attr rmsd >= 1.751743 and attr rmsd <= 1.831743 )
and bondedto ( attr rmsd >= 27.24245 and attr rmsd <= 28.84245 ))
3.6 3.6 1.4
peak 1357 ppm1 1.095454 ppm2 1.791743 volume 7710001 weight 1.0
REMARK dnoe: 1.774814 position 1.955533 2.210839
ASSI { 1358 }
( attr rmsd >= 2.150839 and attr rmsd <= 2.270839 )
(( attr rmsd >= 1.915533 and attr rmsd <= 1.995533 )
and bondedto ( attr rmsd >= 26.80190 and attr rmsd <= 28.40190 ))
2.5 2.5 0.2
peak 1358 ppm1 2.210839 ppm2 1.955533 volume 243000000 weight 1.0
REMARK dnoe: 2.127952 position 1.280395 0.6484056
ASSI { 1359 }
( attr rmsd >= 0.5884056 and attr rmsd <= 0.7084056 )
(( attr rmsd >= 1.240395 and attr rmsd <= 1.320395 )
and bondedto ( attr rmsd >= 26.91783 and attr rmsd <= 28.51783 ))
2.5 2.5 0.2
peak 1359 ppm1 0.6484056 ppm2 1.280395 volume 81800000 weight 1.0
REMARK dnoe: 1.988092 position 1.278379 0.8809526
ASSI { 1360 }
( attr rmsd >= 0.8209526 and attr rmsd <= 0.9409526 )
(( attr rmsd >= 1.238379 and attr rmsd <= 1.318379 )
and bondedto ( attr rmsd >= 26.98740 and attr rmsd <= 28.58740 ))
2.5 2.5 0.2
peak 1360 ppm1 0.8809526 ppm2 1.278379 volume 123000000 weight 1.0
REMARK dnoe: 2.361429 position 1.280395 1.723147
ASSI { 1361 }
( attr rmsd >= 1.663147 and attr rmsd <= 1.783147 )
(( attr rmsd >= 1.240395 and attr rmsd <= 1.320395 )
and bondedto ( attr rmsd >= 26.94102 and attr rmsd <= 28.54102 ))
2.5 2.5 0.2
peak 1361 ppm1 1.723147 ppm2 1.280395 volume 43800000 weight 1.0
REMARK dnoe: 2.349079 position 0.8828919 0.6280837
ASSI { 1363 }
( attr rmsd >= 0.5680837 and attr rmsd <= 0.6880837 )
(( attr rmsd >= 0.8428919 and attr rmsd <= 0.9228919 )
and bondedto ( attr rmsd >= 26.98740 and attr rmsd <= 28.58740 ))
2.5 2.5 0.2
peak 1363 ppm1 0.6280837 ppm2 0.8828919 volume 45200000 weight 1.0
REMARK dnoe: 2.23035 position 0.8848848 1.276078
ASSI { 1364 }
( attr rmsd >= 1.216078 and attr rmsd <= 1.336078 )
(( attr rmsd >= 0.8448848 and attr rmsd <= 0.9248848 )
and bondedto ( attr rmsd >= 27.01058 and attr rmsd <= 28.61058 ))
2.5 2.5 0.2
peak 1364 ppm1 1.276078 ppm2 0.8848848 volume 61700000 weight 1.0
REMARK dnoe: 2.7872 position 0.8948746 1.722459
ASSI { 1365 }
( attr rmsd >= 1.662459 and attr rmsd <= 1.782459 )
(( attr rmsd >= 0.8548746 and attr rmsd <= 0.9348746 )
and bondedto ( attr rmsd >= 26.97777 and attr rmsd <= 28.57777 ))
3.0 3.0 0.5999999
peak 1365 ppm1 1.722459 ppm2 0.8948746 volume 16200000 weight 1.0
REMARK dnoe: 1.754924 position 1.627954 1.766026
ASSI { 1366 }
( attr rmsd >= 1.706026 and attr rmsd <= 1.826026 )
(( attr rmsd >= 1.587954 and attr rmsd <= 1.667954 )
and bondedto ( attr rmsd >= 26.47729 and attr rmsd <= 28.07729 ))
2.5 2.5 0.2
peak 1366 ppm1 1.766026 ppm2 1.627954 volume 259999984 weight 1.0
REMARK dnoe: 2.539742 position 5.147426 8.018681
ASSI { 1367 }
( attr rmsd >= 7.958681 and attr rmsd <= 8.078681 )
(( attr rmsd >= 5.107426 and attr rmsd <= 5.187426 )
and bondedto ( attr rmsd >= 54.47341 and attr rmsd <= 56.07341 ))
3.0 3.0 0.5999999
peak 1367 ppm1 8.018681 ppm2 5.147426 volume 28300000 weight 1.0
REMARK dnoe: 2.512385 position 4.418756 8.605685
ASSI { 1368 }
( attr rmsd >= 8.545685 and attr rmsd <= 8.665686 )
(( attr rmsd >= 4.378756 and attr rmsd <= 4.458756 )
and bondedto ( attr rmsd >= 54.58715 and attr rmsd <= 56.18715 ))
3.0 3.0 0.5999999
peak 1368 ppm1 8.605685 ppm2 4.418756 volume 30199998 weight 1.0
REMARK dnoe: 2.891324 position 4.120205 -0.0517254
ASSI { 1369 }
( attr rmsd >= -0.1117254 and attr rmsd <= 0.0082746 )
(( attr rmsd >= 4.080205 and attr rmsd <= 4.160205 )
and bondedto ( attr rmsd >= 54.81443 and attr rmsd <= 56.41443 ))
3.0 3.0 0.5999999
peak 1369 ppm1 -0.0517254 ppm2 4.120205 volume 13000000 weight 1.0
REMARK dnoe: 2.197745 position 4.10698 0.6261072
ASSI { 1370 }
( attr rmsd >= 0.5661072 and attr rmsd <= 0.6861072 )
(( attr rmsd >= 4.06698 and attr rmsd <= 4.14698 )
and bondedto ( attr rmsd >= 54.76915 and attr rmsd <= 56.36915 ))
2.5 2.5 0.2
peak 1370 ppm1 0.6261072 ppm2 4.10698 volume 67400000 weight 1.0
REMARK dnoe: 2.991367 position 4.132118 8.42285
ASSI { 1371 }
( attr rmsd >= 8.362849 and attr rmsd <= 8.48285 )
(( attr rmsd >= 4.092118 and attr rmsd <= 4.172118 )
and bondedto ( attr rmsd >= 54.75931 and attr rmsd <= 56.35931 ))
3.0 3.0 0.5999999
peak 1371 ppm1 8.42285 ppm2 4.132118 volume 10600000 weight 1.0
REMARK dnoe: 3.388208 position 4.065969 7.448775
ASSI { 1372 }
( attr rmsd >= 7.388775 and attr rmsd <= 7.508775 )
(( attr rmsd >= 4.025969 and attr rmsd <= 4.105969 )
and bondedto ( attr rmsd >= 54.69456 and attr rmsd <= 56.29456 ))
3.6 3.6 1.4
peak 1372 ppm1 7.448775 ppm2 4.065969 volume 0.502e+07 weight 1.0
REMARK dnoe: 2.880351 position 1.042461 9.126847
ASSI { 1373 }
( attr rmsd >= 9.066847 and attr rmsd <= 9.186848 )
(( attr rmsd >= 1.002461 and attr rmsd <= 1.082461 )
and bondedto ( attr rmsd >= 26.98652 and attr rmsd <= 28.58652 ))
3.0 3.0 0.5999999
peak 1373 ppm1 9.126847 ppm2 1.042461 volume 13300000 weight 1.0
REMARK dnoe: 3.058962 position 0.8848147 4.252007
ASSI { 1374 }
( attr rmsd >= 4.192007 and attr rmsd <= 4.312007 )
(( attr rmsd >= 0.8448147 and attr rmsd <= 0.9248147 )
and bondedto ( attr rmsd >= 27.03399 and attr rmsd <= 28.63399 ))
3.6 3.6 1.4
peak 1374 ppm1 4.252007 ppm2 0.8848147 volume 9270000 weight 1.0
REMARK dnoe: 2.842455 position 1.283936 4.271341
ASSI { 1375 }
( attr rmsd >= 4.211341 and attr rmsd <= 4.331341 )
(( attr rmsd >= 1.243936 and attr rmsd <= 1.323936 )
and bondedto ( attr rmsd >= 27.05674 and attr rmsd <= 28.65674 ))
3.0 3.0 0.5999999
peak 1375 ppm1 4.271341 ppm2 1.283936 volume 14399999 weight 1.0
REMARK dnoe: 2.384674 position 1.93947 4.33813
ASSI { 1376 }
( attr rmsd >= 4.27813 and attr rmsd <= 4.39813 )
(( attr rmsd >= 1.89947 and attr rmsd <= 1.97947 )
and bondedto ( attr rmsd >= 26.69297 and attr rmsd <= 28.29297 ))
2.5 2.5 0.2
peak 1376 ppm1 4.33813 ppm2 1.93947 volume 41300000 weight 1.0
REMARK dnoe: 2.498781 position 2.073104 3.926785
ASSI { 1377 }
( attr rmsd >= 3.866785 and attr rmsd <= 3.986785 )
(( attr rmsd >= 2.033104 and attr rmsd <= 2.113104 )
and bondedto ( attr rmsd >= 26.96596 and attr rmsd <= 28.56596 ))
2.5 2.5 0.2
peak 1377 ppm1 3.926785 ppm2 2.073104 volume 31200000 weight 1.0
REMARK dnoe: 2.449046 position 1.961653 3.926785
ASSI { 1378 }
( attr rmsd >= 3.866785 and attr rmsd <= 3.986785 )
(( attr rmsd >= 1.921653 and attr rmsd <= 2.001653 )
and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
2.5 2.5 0.2
peak 1378 ppm1 3.926785 ppm2 1.961653 volume 35200000 weight 1.0
REMARK dnoe: 2.58762 position 2.068274 3.671875
ASSI { 1379 }
( attr rmsd >= 3.611875 and attr rmsd <= 3.731875 )
(( attr rmsd >= 2.028274 and attr rmsd <= 2.108274 )
and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
3.0 3.0 0.5999999
peak 1379 ppm1 3.671875 ppm2 2.068274 volume 25300000 weight 1.0
REMARK dnoe: 2.121093 position 1.934992 3.692971
ASSI { 1380 }
( attr rmsd >= 3.632971 and attr rmsd <= 3.752971 )
(( attr rmsd >= 1.894992 and attr rmsd <= 1.974992 )
and bondedto ( attr rmsd >= 26.69297 and attr rmsd <= 28.29297 ))
2.5 2.5 0.2
peak 1380 ppm1 3.692971 ppm2 1.934992 volume 83400000 weight 1.0
REMARK dnoe: 2.360532 position 1.908353 3.8125
ASSI { 1381 }
( attr rmsd >= 3.7525 and attr rmsd <= 3.8725 )
(( attr rmsd >= 1.868353 and attr rmsd <= 1.948353 )
and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
2.5 2.5 0.2
peak 1381 ppm1 3.8125 ppm2 1.908353 volume 43900000 weight 1.0
REMARK dnoe: 2.182886 position 1.933748 3.58397
ASSI { 1382 }
( attr rmsd >= 3.52397 and attr rmsd <= 3.64397 )
(( attr rmsd >= 1.893748 and attr rmsd <= 1.973748 )
and bondedto ( attr rmsd >= 26.68619 and attr rmsd <= 28.28619 ))
2.5 2.5 0.2
peak 1382 ppm1 3.58397 ppm2 1.933748 volume 70200000 weight 1.0
REMARK dnoe: 2.413786 position 2.003227 3.541779
ASSI { 1383 }
( attr rmsd >= 3.481779 and attr rmsd <= 3.601779 )
(( attr rmsd >= 1.963227 and attr rmsd <= 2.043227 )
and bondedto ( attr rmsd >= 26.69165 and attr rmsd <= 28.29165 ))
2.5 2.5 0.2
peak 1383 ppm1 3.541779 ppm2 2.003227 volume 38400000 weight 1.0
REMARK dnoe: 3.02359 position 2.072495 4.740709
ASSI { 1384 }
( attr rmsd >= 4.680709 and attr rmsd <= 4.800709 )
(( attr rmsd >= 2.032495 and attr rmsd <= 2.112495 )
and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
3.6 3.6 1.4
peak 1384 ppm1 4.740709 ppm2 2.072495 volume 9940000 weight 1.0
REMARK dnoe: 2.883976 position 1.9564 4.758303
ASSI { 1385 }
( attr rmsd >= 4.698303 and attr rmsd <= 4.818303 )
(( attr rmsd >= 1.9164 and attr rmsd <= 1.9964 )
and bondedto ( attr rmsd >= 26.87496 and attr rmsd <= 28.47496 ))
3.0 3.0 0.5999999
peak 1385 ppm1 4.758303 ppm2 1.9564 volume 13200000 weight 1.0
REMARK dnoe: 2.700088 position 1.363755 4.744232
ASSI { 1386 }
( attr rmsd >= 4.684232 and attr rmsd <= 4.804232 )
(( attr rmsd >= 1.323755 and attr rmsd <= 1.403755 )
and bondedto ( attr rmsd >= 26.92046 and attr rmsd <= 28.52046 ))
3.0 3.0 0.5999999
peak 1386 ppm1 4.744232 ppm2 1.363755 volume 19600000 weight 1.0
REMARK dnoe: 2.754202 position 1.296036 4.723136
ASSI { 1387 }
( attr rmsd >= 4.663136 and attr rmsd <= 4.783136 )
(( attr rmsd >= 1.256036 and attr rmsd <= 1.336036 )
and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
3.0 3.0 0.5999999
peak 1387 ppm1 4.723136 ppm2 1.296036 volume 17400000 weight 1.0
REMARK dnoe: 2.695524 position 1.044454 4.744232
ASSI { 1388 }
( attr rmsd >= 4.684232 and attr rmsd <= 4.804232 )
(( attr rmsd >= 1.004454 and attr rmsd <= 1.084454 )
and bondedto ( attr rmsd >= 26.85221 and attr rmsd <= 28.45221 ))
3.0 3.0 0.5999999
peak 1388 ppm1 4.744232 ppm2 1.044454 volume 19800000 weight 1.0
REMARK dnoe: 2.044475 position 1.355338 1.041103
ASSI { 1389 }
( attr rmsd >= 0.981103 and attr rmsd <= 1.101103 )
(( attr rmsd >= 1.315338 and attr rmsd <= 1.395338 )
and bondedto ( attr rmsd >= 26.92046 and attr rmsd <= 28.52046 ))
2.5 2.5 0.2
peak 1389 ppm1 1.041103 ppm2 1.355338 volume 104000000 weight 1.0
REMARK dnoe: 2.183405 position 1.455324 0.7104259
ASSI { 1390 }
( attr rmsd >= 0.6504259 and attr rmsd <= 0.7704259 )
(( attr rmsd >= 1.415324 and attr rmsd <= 1.495324 )
and bondedto ( attr rmsd >= 26.98083 and attr rmsd <= 28.58083 ))
2.5 2.5 0.2
peak 1390 ppm1 0.7104259 ppm2 1.455324 volume 70100000 weight 1.0
REMARK dnoe: 2.104596 position 1.357847 0.6865802
ASSI { 1391 }
( attr rmsd >= 0.6265802 and attr rmsd <= 0.7465802 )
(( attr rmsd >= 1.317847 and attr rmsd <= 1.397847 )
and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
2.5 2.5 0.2
peak 1391 ppm1 0.6865802 ppm2 1.357847 volume 87400000 weight 1.0
REMARK dnoe: 2.209934 position 1.037841 0.6845822
ASSI { 1392 }
( attr rmsd >= 0.6245822 and attr rmsd <= 0.7445822 )
(( attr rmsd >= 0.9978409 and attr rmsd <= 1.077841 )
and bondedto ( attr rmsd >= 26.85987 and attr rmsd <= 28.45987 ))
2.5 2.5 0.2
peak 1392 ppm1 0.6845822 ppm2 1.037841 volume 65200000 weight 1.0
REMARK dnoe: 2.895048 position 1.364787 9.171101
ASSI { 1393 }
( attr rmsd >= 9.1111 and attr rmsd <= 9.231101 )
(( attr rmsd >= 1.324787 and attr rmsd <= 1.404787 )
and bondedto ( attr rmsd >= 26.81218 and attr rmsd <= 28.41218 ))
3.0 3.0 0.5999999
peak 1393 ppm1 9.171101 ppm2 1.364787 volume 12899999 weight 1.0
REMARK dnoe: 3.355589 position 0.9746003 7.967875
ASSI { 1394 }
( attr rmsd >= 7.907875 and attr rmsd <= 8.027875 )
(( attr rmsd >= 0.9346003 and attr rmsd <= 1.0146 )
and bondedto ( attr rmsd >= 26.76121 and attr rmsd <= 28.36121 ))
3.6 3.6 1.4
peak 1394 ppm1 7.967875 ppm2 0.9746003 volume 5320000 weight 1.0
REMARK dnoe: 3.472744 position 1.26717 7.967875
ASSI { 1395 }
( attr rmsd >= 7.907875 and attr rmsd <= 8.027875 )
(( attr rmsd >= 1.22717 and attr rmsd <= 1.30717 )
and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
3.6 3.6 1.4
peak 1395 ppm1 7.967875 ppm2 1.26717 volume 4330000 weight 1.0
REMARK dnoe: 3.118973 position 1.629782 8.263106
ASSI { 1396 }
( attr rmsd >= 8.203106 and attr rmsd <= 8.323107 )
(( attr rmsd >= 1.589782 and attr rmsd <= 1.669782 )
and bondedto ( attr rmsd >= 26.44294 and attr rmsd <= 28.04294 ))
3.6 3.6 1.4
peak 1396 ppm1 8.263106 ppm2 1.629782 volume 8250000 weight 1.0
REMARK dnoe: 3.212484 position 1.629782 8.074943
ASSI { 1397 }
( attr rmsd >= 8.014942 and attr rmsd <= 8.134943 )
(( attr rmsd >= 1.589782 and attr rmsd <= 1.669782 )
and bondedto ( attr rmsd >= 26.44294 and attr rmsd <= 28.04294 ))
3.6 3.6 1.4
peak 1397 ppm1 8.074943 ppm2 1.629782 volume 6910000 weight 1.0
REMARK dnoe: 4.046501 position 2.008315 7.733222
ASSI { 1398 }
( attr rmsd >= 7.673222 and attr rmsd <= 7.793222 )
(( attr rmsd >= 1.968315 and attr rmsd <= 2.048315 )
and bondedto ( attr rmsd >= 26.75028 and attr rmsd <= 28.35028 ))
4.2 4.2 1.8
peak 1398 ppm1 7.733222 ppm2 2.008315 volume 0.173e+07 weight 1.0
REMARK dnoe: 2.849088 position 1.465078 5.389712
ASSI { 1399 }
( attr rmsd >= 5.329712 and attr rmsd <= 5.449712 )
(( attr rmsd >= 1.425078 and attr rmsd <= 1.505078 )
and bondedto ( attr rmsd >= 26.98980 and attr rmsd <= 28.58980 ))
3.0 3.0 0.5999999
peak 1399 ppm1 5.389712 ppm2 1.465078 volume 14200000 weight 1.0
REMARK dnoe: 2.790078 position 1.628821 4.141845
ASSI { 1400 }
( attr rmsd >= 4.081845 and attr rmsd <= 4.201845 )
(( attr rmsd >= 1.588821 and attr rmsd <= 1.668821 )
and bondedto ( attr rmsd >= 26.43244 and attr rmsd <= 28.03244 ))
3.0 3.0 0.5999999
peak 1400 ppm1 4.141845 ppm2 1.628821 volume 16100000 weight 1.0
REMARK dnoe: 2.982062 position 1.279973 3.979804
ASSI { 1401 }
( attr rmsd >= 3.919804 and attr rmsd <= 4.039804 )
(( attr rmsd >= 1.239973 and attr rmsd <= 1.319973 )
and bondedto ( attr rmsd >= 26.67766 and attr rmsd <= 28.27766 ))
3.0 3.0 0.5999999
peak 1401 ppm1 3.979804 ppm2 1.279973 volume 10800000 weight 1.0
REMARK dnoe: 3.000879 position 0.9762418 3.990759
ASSI { 1402 }
( attr rmsd >= 3.930759 and attr rmsd <= 4.050759 )
(( attr rmsd >= 0.9362418 and attr rmsd <= 1.016242 )
and bondedto ( attr rmsd >= 26.63303 and attr rmsd <= 28.23303 ))
3.6 3.6 1.4
peak 1402 ppm1 3.990759 ppm2 0.9762418 volume 10400000 weight 1.0
REMARK dnoe: 2.34649 position 1.623967 3.156149
ASSI { 1403 }
( attr rmsd >= 3.096149 and attr rmsd <= 3.216149 )
(( attr rmsd >= 1.583967 and attr rmsd <= 1.663967 )
and bondedto ( attr rmsd >= 26.43244 and attr rmsd <= 28.03244 ))
2.5 2.5 0.2
peak 1403 ppm1 3.156149 ppm2 1.623967 volume 45500000 weight 1.0
REMARK dnoe: 3.027665 position 2.008503 0.7724452
ASSI { 1404 }
( attr rmsd >= 0.7124452 and attr rmsd <= 0.8324452 )
(( attr rmsd >= 1.968503 and attr rmsd <= 2.048503 )
and bondedto ( attr rmsd >= 26.70587 and attr rmsd <= 28.30587 ))
3.6 3.6 1.4
peak 1404 ppm1 0.7724452 ppm2 2.008503 volume 9860000 weight 1.0
REMARK dnoe: 3.256348 position 2.003743 0.6060214
ASSI { 1405 }
( attr rmsd >= 0.5460214 and attr rmsd <= 0.6660214 )
(( attr rmsd >= 1.963743 and attr rmsd <= 2.043743 )
and bondedto ( attr rmsd >= 26.77762 and attr rmsd <= 28.37762 ))
3.6 3.6 1.4
peak 1405 ppm1 0.6060214 ppm2 2.003743 volume 6370000 weight 1.0
REMARK dnoe: 2.930154 position 1.279973 0.3323145
ASSI { 1406 }
( attr rmsd >= 0.2723145 and attr rmsd <= 0.3923145 )
(( attr rmsd >= 1.239973 and attr rmsd <= 1.319973 )
and bondedto ( attr rmsd >= 26.61072 and attr rmsd <= 28.21072 ))
3.0 3.0 0.5999999
peak 1406 ppm1 0.3323145 ppm2 1.279973 volume 12000000 weight 1.0
REMARK dnoe: 2.112319 position 0.9833462 0.3410792
ASSI { 1407 }
( attr rmsd >= 0.2810792 and attr rmsd <= 0.4010792 )
(( attr rmsd >= 0.9433462 and attr rmsd <= 1.023346 )
and bondedto ( attr rmsd >= 26.14261 and attr rmsd <= 27.74261 ))
2.5 2.5 0.2
peak 1407 ppm1 0.3410792 ppm2 0.9833462 volume 85500000 weight 1.0
REMARK dnoe: 2.102995 position 1.043375 1.350492
ASSI { 1409 }
( attr rmsd >= 1.290492 and attr rmsd <= 1.410492 )
(( attr rmsd >= 1.003375 and attr rmsd <= 1.083375 )
and bondedto ( attr rmsd >= 26.82596 and attr rmsd <= 28.42596 ))
2.5 2.5 0.2
peak 1409 ppm1 1.350492 ppm2 1.043375 volume 87800000 weight 1.0
REMARK dnoe: 1.969836 position 0.9825027 1.2651
ASSI { 1410 }
( attr rmsd >= 1.2051 and attr rmsd <= 1.3251 )
(( attr rmsd >= 0.9425027 and attr rmsd <= 1.022503 )
and bondedto ( attr rmsd >= 26.61816 and attr rmsd <= 28.21816 ))
2.5 2.5 0.2
peak 1410 ppm1 1.2651 ppm2 0.9825027 volume 129999992 weight 1.0
REMARK dnoe: 2.178257 position 0.9809785 0.6695228
ASSI { 1411 }
( attr rmsd >= 0.6095228 and attr rmsd <= 0.7295228 )
(( attr rmsd >= 0.9409785 and attr rmsd <= 1.020978 )
and bondedto ( attr rmsd >= 26.64528 and attr rmsd <= 28.24528 ))
2.5 2.5 0.2
peak 1411 ppm1 0.6695228 ppm2 0.9809785 volume 71100000 weight 1.0
REMARK dnoe: 2.591045 position 0.9762418 1.622008
ASSI { 1412 }
( attr rmsd >= 1.562008 and attr rmsd <= 1.682008 )
(( attr rmsd >= 0.9362418 and attr rmsd <= 1.016242 )
and bondedto ( attr rmsd >= 26.74459 and attr rmsd <= 28.34459 ))
3.0 3.0 0.5999999
peak 1412 ppm1 1.622008 ppm2 0.9762418 volume 25099998 weight 1.0
REMARK dnoe: 2.34307 position 1.360661 1.632964
ASSI { 1413 }
( attr rmsd >= 1.572964 and attr rmsd <= 1.692964 )
(( attr rmsd >= 1.320661 and attr rmsd <= 1.400661 )
and bondedto ( attr rmsd >= 26.92287 and attr rmsd <= 28.52287 ))
2.5 2.5 0.2
peak 1413 ppm1 1.632964 ppm2 1.360661 volume 45900000 weight 1.0
REMARK dnoe: 3.206327 position 4.41824 7.891999
ASSI { 1414 }
( attr rmsd >= 7.831999 and attr rmsd <= 7.951999 )
(( attr rmsd >= 4.37824 and attr rmsd <= 4.45824 )
and bondedto ( attr rmsd >= 54.59175 and attr rmsd <= 56.19175 ))
3.6 3.6 1.4
peak 1414 ppm1 7.891999 ppm2 4.41824 volume 6990000 weight 1.0
REMARK dnoe: 3.108389 position 4.415167 7.709592
ASSI { 1415 }
( attr rmsd >= 7.649592 and attr rmsd <= 7.769592 )
(( attr rmsd >= 4.375167 and attr rmsd <= 4.455167 )
and bondedto ( attr rmsd >= 54.61406 and attr rmsd <= 56.21406 ))
3.6 3.6 1.4
peak 1415 ppm1 7.709592 ppm2 4.415167 volume 8420000 weight 1.0
REMARK dnoe: 3.233896 position 5.147614 8.765041
ASSI { 1416 }
( attr rmsd >= 8.705041 and attr rmsd <= 8.825042 )
(( attr rmsd >= 5.107614 and attr rmsd <= 5.187614 )
and bondedto ( attr rmsd >= 54.54734 and attr rmsd <= 56.14734 ))
3.6 3.6 1.4
peak 1416 ppm1 8.765041 ppm2 5.147614 volume 0.664e+07 weight 1.0
REMARK dnoe: 2.665005 position 5.155914 9.216751
ASSI { 1417 }
( attr rmsd >= 9.156751 and attr rmsd <= 9.276752 )
(( attr rmsd >= 5.115914 and attr rmsd <= 5.195914 )
and bondedto ( attr rmsd >= 54.52503 and attr rmsd <= 56.12503 ))
3.0 3.0 0.5999999
peak 1417 ppm1 9.216751 ppm2 5.155914 volume 21200000 weight 1.0
REMARK dnoe: 3.135011 position 5.147614 6.929933
ASSI { 1418 }
( attr rmsd >= 6.869933 and attr rmsd <= 6.989933 )
(( attr rmsd >= 5.107614 and attr rmsd <= 5.187614 )
and bondedto ( attr rmsd >= 54.43578 and attr rmsd <= 56.03578 ))
3.6 3.6 1.4
peak 1418 ppm1 6.929933 ppm2 5.147614 volume 8000000 weight 1.0
REMARK dnoe: 2.428774 position 5.145198 4.978497
ASSI { 1419 }
( attr rmsd >= 4.918497 and attr rmsd <= 5.038497 )
(( attr rmsd >= 5.105198 and attr rmsd <= 5.185198 )
and bondedto ( attr rmsd >= 54.47034 and attr rmsd <= 56.07034 ))
2.5 2.5 0.2
peak 1419 ppm1 4.978497 ppm2 5.145198 volume 37000000 weight 1.0
REMARK dnoe: 2.245779 position 4.070775 1.444585
ASSI { 1420 }
( attr rmsd >= 1.384585 and attr rmsd <= 1.504585 )
(( attr rmsd >= 4.030775 and attr rmsd <= 4.110775 )
and bondedto ( attr rmsd >= 54.65146 and attr rmsd <= 56.25146 ))
2.5 2.5 0.2
peak 1420 ppm1 1.444585 ppm2 4.070775 volume 59200000 weight 1.0
REMARK dnoe: 2.898805 position 4.416809 1.079493
ASSI { 1421 }
( attr rmsd >= 1.019493 and attr rmsd <= 1.139493 )
(( attr rmsd >= 4.376809 and attr rmsd <= 4.456809 )
and bondedto ( attr rmsd >= 54.53597 and attr rmsd <= 56.13597 ))
3.0 3.0 0.5999999
peak 1421 ppm1 1.079493 ppm2 4.416809 volume 12800001 weight 1.0
REMARK dnoe: 2.509622 position 4.419553 1.525724
ASSI { 1422 }
( attr rmsd >= 1.465724 and attr rmsd <= 1.585724 )
(( attr rmsd >= 4.379553 and attr rmsd <= 4.459553 )
and bondedto ( attr rmsd >= 54.52045 and attr rmsd <= 56.12045 ))
3.0 3.0 0.5999999
peak 1422 ppm1 1.525724 ppm2 4.419553 volume 30400000 weight 1.0
REMARK dnoe: 2.550366 position 4.422319 1.715864
ASSI { 1423 }
( attr rmsd >= 1.655864 and attr rmsd <= 1.775864 )
(( attr rmsd >= 4.382319 and attr rmsd <= 4.462319 )
and bondedto ( attr rmsd >= 54.55150 and attr rmsd <= 56.15150 ))
3.0 3.0 0.5999999
peak 1423 ppm1 1.715864 ppm2 4.422319 volume 27600000 weight 1.0
REMARK dnoe: 2.279051 position 5.150099 2.024845
ASSI { 1424 }
( attr rmsd >= 1.964845 and attr rmsd <= 2.084845 )
(( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )
and bondedto ( attr rmsd >= 54.43097 and attr rmsd <= 56.03097 ))
2.5 2.5 0.2
peak 1424 ppm1 2.024845 ppm2 5.150099 volume 54200000 weight 1.0
REMARK dnoe: 2.443295 position 5.150099 1.90622
ASSI { 1425 }
( attr rmsd >= 1.84622 and attr rmsd <= 1.96622 )
(( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )
and bondedto ( attr rmsd >= 54.54166 and attr rmsd <= 56.14166 ))
2.5 2.5 0.2
peak 1425 ppm1 1.90622 ppm2 5.150099 volume 35700000 weight 1.0
REMARK dnoe: 2.608662 position 5.150099 1.643061
ASSI { 1426 }
( attr rmsd >= 1.583061 and attr rmsd <= 1.703061 )
(( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )
and bondedto ( attr rmsd >= 54.36447 and attr rmsd <= 55.96447 ))
3.0 3.0 0.5999999
peak 1426 ppm1 1.643061 ppm2 5.150099 volume 24100000 weight 1.0
REMARK dnoe: 2.580864 position 5.147356 1.505015
ASSI { 1427 }
( attr rmsd >= 1.445015 and attr rmsd <= 1.565015 )
(( attr rmsd >= 5.107356 and attr rmsd <= 5.187356 )
and bondedto ( attr rmsd >= 54.49747 and attr rmsd <= 56.09747 ))
3.0 3.0 0.5999999
peak 1427 ppm1 1.505015 ppm2 5.147356 volume 25700000 weight 1.0
REMARK dnoe: 3.197244 position 4.558182 8.756556
ASSI { 1428 }
( attr rmsd >= 8.696555 and attr rmsd <= 8.816556 )
(( attr rmsd >= 4.518182 and attr rmsd <= 4.598182 )
and bondedto ( attr rmsd >= 54.37279 and attr rmsd <= 55.97279 ))
3.6 3.6 1.4
peak 1428 ppm1 8.756556 ppm2 4.558182 volume 7110001 weight 1.0
REMARK dnoe: 2.488259 position 5.640553 9.413057
ASSI { 1429 }
( attr rmsd >= 9.353057 and attr rmsd <= 9.473058 )
(( attr rmsd >= 5.600553 and attr rmsd <= 5.680553 )
and bondedto ( attr rmsd >= 53.85721 and attr rmsd <= 55.45721 ))
2.5 2.5 0.2
peak 1429 ppm1 9.413057 ppm2 5.640553 volume 32000000 weight 1.0
REMARK dnoe: 3.299145 position 5.638349 9.097889
ASSI { 1430 }
( attr rmsd >= 9.037889 and attr rmsd <= 9.157889 )
(( attr rmsd >= 5.598349 and attr rmsd <= 5.678349 )
and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
3.6 3.6 1.4
peak 1430 ppm1 9.097889 ppm2 5.638349 volume 5890000 weight 1.0
REMARK dnoe: 2.895048 position 5.175916 9.44137
ASSI { 1431 }
( attr rmsd >= 9.38137 and attr rmsd <= 9.50137 )
(( attr rmsd >= 5.135916 and attr rmsd <= 5.215916 )
and bondedto ( attr rmsd >= 53.80756 and attr rmsd <= 55.40756 ))
3.0 3.0 0.5999999
peak 1431 ppm1 9.44137 ppm2 5.175916 volume 12899999 weight 1.0
REMARK dnoe: 2.449046 position 5.172164 9.257654
ASSI { 1432 }
( attr rmsd >= 9.197654 and attr rmsd <= 9.317655 )
(( attr rmsd >= 5.132164 and attr rmsd <= 5.212164 )
and bondedto ( attr rmsd >= 53.72202 and attr rmsd <= 55.32202 ))
2.5 2.5 0.2
peak 1432 ppm1 9.257654 ppm2 5.172164 volume 35200000 weight 1.0
REMARK dnoe: 2.570956 position 4.98305 9.214474
ASSI { 1433 }
( attr rmsd >= 9.154473 and attr rmsd <= 9.274474 )
(( attr rmsd >= 4.94305 and attr rmsd <= 5.02305 )
and bondedto ( attr rmsd >= 53.41184 and attr rmsd <= 55.01184 ))
3.0 3.0 0.5999999
peak 1433 ppm1 9.214474 ppm2 4.98305 volume 26300002 weight 1.0
REMARK dnoe: 2.72867 position 5.636168 7.821795
ASSI { 1434 }
( attr rmsd >= 7.761795 and attr rmsd <= 7.881795 )
(( attr rmsd >= 5.596168 and attr rmsd <= 5.676168 )
and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
3.0 3.0 0.5999999
peak 1434 ppm1 7.821795 ppm2 5.636168 volume 18400000 weight 1.0
REMARK dnoe: 2.873195 position 5.636145 6.12385
ASSI { 1435 }
( attr rmsd >= 6.06385 and attr rmsd <= 6.18385 )
(( attr rmsd >= 5.596145 and attr rmsd <= 5.676145 )
and bondedto ( attr rmsd >= 53.84627 and attr rmsd <= 55.44627 ))
3.0 3.0 0.5999999
peak 1435 ppm1 6.12385 ppm2 5.636145 volume 13500001 weight 1.0
REMARK dnoe: 2.784343 position 5.185249 5.984666
ASSI { 1436 }
( attr rmsd >= 5.924666 and attr rmsd <= 6.044666 )
(( attr rmsd >= 5.145249 and attr rmsd <= 5.225249 )
and bondedto ( attr rmsd >= 53.74412 and attr rmsd <= 55.34412 ))
3.0 3.0 0.5999999
peak 1436 ppm1 5.984666 ppm2 5.185249 volume 16300000 weight 1.0
REMARK dnoe: 2.714116 position 4.987435 3.965432
ASSI { 1437 }
( attr rmsd >= 3.905432 and attr rmsd <= 4.025432 )
(( attr rmsd >= 4.947435 and attr rmsd <= 5.027435 )
and bondedto ( attr rmsd >= 53.61112 and attr rmsd <= 55.21112 ))
3.0 3.0 0.5999999
peak 1437 ppm1 3.965432 ppm2 4.987435 volume 19000000 weight 1.0
REMARK dnoe: 2.580864 position 4.987435 3.429941
ASSI { 1438 }
( attr rmsd >= 3.369941 and attr rmsd <= 3.489941 )
(( attr rmsd >= 4.947435 and attr rmsd <= 5.027435 )
and bondedto ( attr rmsd >= 53.63343 and attr rmsd <= 55.23343 ))
3.0 3.0 0.5999999
peak 1438 ppm1 3.429941 ppm2 4.987435 volume 25700000 weight 1.0
REMARK dnoe: 2.280456 position 4.369372 2.885815
ASSI { 1439 }
( attr rmsd >= 2.825815 and attr rmsd <= 2.945815 )
(( attr rmsd >= 4.329372 and attr rmsd <= 4.409372 )
and bondedto ( attr rmsd >= 53.74412 and attr rmsd <= 55.34412 ))
2.5 2.5 0.2
peak 1439 ppm1 2.885815 ppm2 4.369372 volume 54000004 weight 1.0
REMARK dnoe: 2.500118 position 5.638091 1.947337
ASSI { 1440 }
( attr rmsd >= 1.887337 and attr rmsd <= 2.007337 )
(( attr rmsd >= 5.598091 and attr rmsd <= 5.678091 )
and bondedto ( attr rmsd >= 54.05429 and attr rmsd <= 55.65429 ))
3.0 3.0 0.5999999
peak 1440 ppm1 1.947337 ppm2 5.638091 volume 31099998 weight 1.0
REMARK dnoe: 2.464454 position 5.640788 1.766133
ASSI { 1441 }
( attr rmsd >= 1.706133 and attr rmsd <= 1.826133 )
(( attr rmsd >= 5.600788 and attr rmsd <= 5.680788 )
and bondedto ( attr rmsd >= 53.92130 and attr rmsd <= 55.52130 ))
2.5 2.5 0.2
peak 1441 ppm1 1.766133 ppm2 5.640788 volume 33900000 weight 1.0
REMARK dnoe: 2.859246 position 5.638091 1.440418
ASSI { 1442 }
( attr rmsd >= 1.380418 and attr rmsd <= 1.500418 )
(( attr rmsd >= 5.598091 and attr rmsd <= 5.678091 )
and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
3.0 3.0 0.5999999
peak 1442 ppm1 1.440418 ppm2 5.638091 volume 13900000 weight 1.0
REMARK dnoe: 2.365952 position 4.251355 1.60435
ASSI { 1443 }
( attr rmsd >= 1.54435 and attr rmsd <= 1.66435 )
(( attr rmsd >= 4.211355 and attr rmsd <= 4.291355 )
and bondedto ( attr rmsd >= 53.89921 and attr rmsd <= 55.49921 ))
2.5 2.5 0.2
peak 1443 ppm1 1.60435 ppm2 4.251355 volume 43300000 weight 1.0
REMARK dnoe: 2.561309 position 4.235081 1.032725
ASSI { 1444 }
( attr rmsd >= 0.972725 and attr rmsd <= 1.092725 )
(( attr rmsd >= 4.195081 and attr rmsd <= 4.275081 )
and bondedto ( attr rmsd >= 53.67762 and attr rmsd <= 55.27762 ))
3.0 3.0 0.5999999
peak 1444 ppm1 1.032725 ppm2 4.235081 volume 26900000 weight 1.0
REMARK dnoe: 2.711742 position 4.251355 -0.1946692
ASSI { 1445 }
( attr rmsd >= -0.2546692 and attr rmsd <= -0.1346692 )
(( attr rmsd >= 4.211355 and attr rmsd <= 4.291355 )
and bondedto ( attr rmsd >= 53.72202 and attr rmsd <= 55.32202 ))
3.0 3.0 0.5999999
peak 1445 ppm1 -0.1946692 ppm2 4.251355 volume 19100000 weight 1.0
REMARK dnoe: 3.267558 position 1.022951 6.567998
ASSI { 1446 }
( attr rmsd >= 6.507998 and attr rmsd <= 6.627998 )
(( attr rmsd >= 0.982951 and attr rmsd <= 1.062951 )
and bondedto ( attr rmsd >= 26.42894 and attr rmsd <= 28.02894 ))
3.6 3.6 1.4
peak 1446 ppm1 6.567998 ppm2 1.022951 volume 6240000 weight 1.0
REMARK dnoe: 3.224256 position 1.017347 6.744175
ASSI { 1447 }
( attr rmsd >= 6.684175 and attr rmsd <= 6.804175 )
(( attr rmsd >= 0.977347 and attr rmsd <= 1.057347 )
and bondedto ( attr rmsd >= 26.57550 and attr rmsd <= 28.17550 ))
3.6 3.6 1.4
peak 1447 ppm1 6.744175 ppm2 1.017347 volume 6760000 weight 1.0
REMARK dnoe: 2.951012 position 0.5515609 6.764282
ASSI { 1448 }
( attr rmsd >= 6.704282 and attr rmsd <= 6.824282 )
(( attr rmsd >= 0.5115609 and attr rmsd <= 0.5915609 )
and bondedto ( attr rmsd >= 26.36245 and attr rmsd <= 27.96245 ))
3.0 3.0 0.5999999
peak 1448 ppm1 6.764282 ppm2 0.5515609 volume 11500000 weight 1.0
REMARK dnoe: 2.401438 position 1.937664 4.508334
ASSI { 1449 }
( attr rmsd >= 4.448334 and attr rmsd <= 4.568334 )
(( attr rmsd >= 1.897664 and attr rmsd <= 1.977664 )
and bondedto ( attr rmsd >= 26.76121 and attr rmsd <= 28.36121 ))
2.5 2.5 0.2
peak 1449 ppm1 4.508334 ppm2 1.937664 volume 39600000 weight 1.0
REMARK dnoe: 3.015554 position 1.561663 4.33364
ASSI { 1450 }
( attr rmsd >= 4.27364 and attr rmsd <= 4.39364 )
(( attr rmsd >= 1.521663 and attr rmsd <= 1.601663 )
and bondedto ( attr rmsd >= 26.34035 and attr rmsd <= 27.94035 ))
3.6 3.6 1.4
peak 1450 ppm1 4.33364 ppm2 1.561663 volume 10100000 weight 1.0
REMARK dnoe: 2.575877 position 1.003302 3.719438
ASSI { 1452 }
( attr rmsd >= 3.659438 and attr rmsd <= 3.779438 )
(( attr rmsd >= 0.963302 and attr rmsd <= 1.043302 )
and bondedto ( attr rmsd >= 26.55188 and attr rmsd <= 28.15188 ))
3.0 3.0 0.5999999
peak 1452 ppm1 3.719438 ppm2 1.003302 volume 26000000 weight 1.0
REMARK dnoe: 2.378003 position 1.28009 1.62218
ASSI { 1453 }
( attr rmsd >= 1.56218 and attr rmsd <= 1.68218 )
(( attr rmsd >= 1.24009 and attr rmsd <= 1.32009 )
and bondedto ( attr rmsd >= 26.80562 and attr rmsd <= 28.40562 ))
2.5 2.5 0.2
peak 1453 ppm1 1.62218 ppm2 1.28009 volume 42000000 weight 1.0
REMARK dnoe: 3.198745 position 1.02131 8.073911
ASSI { 1454 }
( attr rmsd >= 8.01391 and attr rmsd <= 8.133911 )
(( attr rmsd >= 0.98131 and attr rmsd <= 1.06131 )
and bondedto ( attr rmsd >= 26.38279 and attr rmsd <= 27.98279 ))
3.6 3.6 1.4
peak 1454 ppm1 8.073911 ppm2 1.02131 volume 7090000 weight 1.0
REMARK dnoe: 3.297282 position 1.612641 3.669727
ASSI { 1455 }
( attr rmsd >= 3.609727 and attr rmsd <= 3.729727 )
(( attr rmsd >= 1.572641 and attr rmsd <= 1.652641 )
and bondedto ( attr rmsd >= 26.42894 and attr rmsd <= 28.02894 ))
3.6 3.6 1.4
peak 1455 ppm1 3.669727 ppm2 1.612641 volume 5910000 weight 1.0
REMARK dnoe: 2.914185 position 0.5494037 3.746763
ASSI { 1456 }
( attr rmsd >= 3.686763 and attr rmsd <= 3.806763 )
(( attr rmsd >= 0.5094037 and attr rmsd <= 0.5894037 )
and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
3.0 3.0 0.5999999
peak 1456 ppm1 3.746763 ppm2 0.5494037 volume 12400000 weight 1.0
REMARK dnoe: 3.048635 position 0.4574609 3.736108
ASSI { 1457 }
( attr rmsd >= 3.676108 and attr rmsd <= 3.796108 )
(( attr rmsd >= 0.4174609 and attr rmsd <= 0.4974609 )
and bondedto ( attr rmsd >= 26.22945 and attr rmsd <= 27.82945 ))
3.6 3.6 1.4
peak 1457 ppm1 3.736108 ppm2 0.4574609 volume 9460000 weight 1.0
REMARK dnoe: 2.91812 position 0.5513496 5.414073
ASSI { 1458 }
( attr rmsd >= 5.354073 and attr rmsd <= 5.474073 )
(( attr rmsd >= 0.5113496 and attr rmsd <= 0.5913496 )
and bondedto ( attr rmsd >= 26.25176 and attr rmsd <= 27.85176 ))
3.0 3.0 0.5999999
peak 1458 ppm1 5.414073 ppm2 0.5513496 volume 12300000 weight 1.0
REMARK dnoe: 2.544257 position 1.557607 3.097438
ASSI { 1459 }
( attr rmsd >= 3.037438 and attr rmsd <= 3.157438 )
(( attr rmsd >= 1.517607 and attr rmsd <= 1.597607 )
and bondedto ( attr rmsd >= 26.38869 and attr rmsd <= 27.98869 ))
3.0 3.0 0.5999999
peak 1459 ppm1 3.097438 ppm2 1.557607 volume 28000000 weight 1.0
REMARK dnoe: 2.442157 position 1.790172 1.929163
ASSI { 1460 }
( attr rmsd >= 1.869163 and attr rmsd <= 1.989163 )
(( attr rmsd >= 1.750172 and attr rmsd <= 1.830172 )
and bondedto ( attr rmsd >= 26.71703 and attr rmsd <= 28.31703 ))
2.5 2.5 0.2
peak 1460 ppm1 1.929163 ppm2 1.790172 volume 35800000 weight 1.0
REMARK dnoe: 1.988092 position 1.278472 0.967097
ASSI { 1461 }
( attr rmsd >= 0.907097 and attr rmsd <= 1.027097 )
(( attr rmsd >= 1.238472 and attr rmsd <= 1.318472 )
and bondedto ( attr rmsd >= 26.71703 and attr rmsd <= 28.31703 ))
2.5 2.5 0.2
peak 1461 ppm1 0.967097 ppm2 1.278472 volume 123000000 weight 1.0
REMARK dnoe: 2.291188 position 1.11602 0.6392117
ASSI { 1463 }
( attr rmsd >= 0.5792117 and attr rmsd <= 0.6992117 )
(( attr rmsd >= 1.07602 and attr rmsd <= 1.15602 )
and bondedto ( attr rmsd >= 26.16317 and attr rmsd <= 27.76317 ))
2.5 2.5 0.2
peak 1463 ppm1 0.6392117 ppm2 1.11602 volume 52499996 weight 1.0
REMARK dnoe: 2.476783 position 1.113299 0.7772789
ASSI { 1464 }
( attr rmsd >= 0.7172789 and attr rmsd <= 0.8372789 )
(( attr rmsd >= 1.073299 and attr rmsd <= 1.153299 )
and bondedto ( attr rmsd >= 26.14086 and attr rmsd <= 27.74086 ))
2.5 2.5 0.2
peak 1464 ppm1 0.7772789 ppm2 1.113299 volume 32900000 weight 1.0
REMARK dnoe: 2.168209 position 1.02124 0.447546
ASSI { 1465 }
( attr rmsd >= 0.387546 and attr rmsd <= 0.507546 )
(( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )
and bondedto ( attr rmsd >= 26.34845 and attr rmsd <= 27.94845 ))
2.5 2.5 0.2
peak 1465 ppm1 0.447546 ppm2 1.02124 volume 73100000 weight 1.0
REMARK dnoe: 2.682145 position 1.02124 -0.0251517
ASSI { 1466 }
( attr rmsd >= -0.0851517 and attr rmsd <= 0.0348483 )
(( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )
and bondedto ( attr rmsd >= 26.35304 and attr rmsd <= 27.95304 ))
3.0 3.0 0.5999999
peak 1466 ppm1 -0.0251517 ppm2 1.02124 volume 20400000 weight 1.0
REMARK dnoe: 2.409621 position 1.02124 0.1699295
ASSI { 1467 }
( attr rmsd >= 0.1099295 and attr rmsd <= 0.2299295 )
(( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )
and bondedto ( attr rmsd >= 26.33248 and attr rmsd <= 27.93248 ))
2.5 2.5 0.2
peak 1467 ppm1 0.1699295 ppm2 1.02124 volume 38800000 weight 1.0
REMARK dnoe: 2.748961 position 0.5465426 -0.0466337
ASSI { 1468 }
( attr rmsd >= -0.1066337 and attr rmsd <= 0.0133663 )
(( attr rmsd >= 0.5065426 and attr rmsd <= 0.5865426 )
and bondedto ( attr rmsd >= 26.33160 and attr rmsd <= 27.93160 ))
3.0 3.0 0.5999999
peak 1468 ppm1 -0.0466337 ppm2 0.5465426 volume 17600000 weight 1.0
REMARK dnoe: 2.580864 position 0.5470586 0.253088
ASSI { 1469 }
( attr rmsd >= 0.193088 and attr rmsd <= 0.313088 )
(( attr rmsd >= 0.5070586 and attr rmsd <= 0.5870586 )
and bondedto ( attr rmsd >= 26.30754 and attr rmsd <= 27.90754 ))
3.0 3.0 0.5999999
peak 1469 ppm1 0.253088 ppm2 0.5470586 volume 25700000 weight 1.0
REMARK dnoe: 2.294111 position 0.5468006 0.9412537
ASSI { 1470 }
( attr rmsd >= 0.8812537 and attr rmsd <= 1.001254 )
(( attr rmsd >= 0.5068006 and attr rmsd <= 0.5868006 )
and bondedto ( attr rmsd >= 26.31213 and attr rmsd <= 27.91213 ))
2.5 2.5 0.2
peak 1470 ppm1 0.9412537 ppm2 0.5468006 volume 52100004 weight 1.0
REMARK dnoe: 2.702391 position 0.5528507 1.208688
ASSI { 1473 }
( attr rmsd >= 1.739925 and attr rmsd <= 1.859925 )
(( attr rmsd >= 0.5065894 and attr rmsd <= 0.5865894 )
and bondedto ( attr rmsd >= 26.31585 and attr rmsd <= 27.91585 ))
3.0 3.0 0.5999999
peak 1473 ppm1 1.799925 ppm2 0.5465894 volume 28200000 weight 1.0
REMARK dnoe: 2.731149 position 0.4580941 -0.0226598
ASSI { 1474 }
( attr rmsd >= -0.0826598 and attr rmsd <= 0.0373402 )
(( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )
and bondedto ( attr rmsd >= 26.34801 and attr rmsd <= 27.94801 ))
3.0 3.0 0.5999999
peak 1474 ppm1 -0.0226598 ppm2 0.4580941 volume 18300000 weight 1.0
REMARK dnoe: 2.288292 position 0.4553976 1.027828
ASSI { 1475 }
( attr rmsd >= 0.967828 and attr rmsd <= 1.087828 )
(( attr rmsd >= 0.4153976 and attr rmsd <= 0.4953976 )
and bondedto ( attr rmsd >= 26.33773 and attr rmsd <= 27.93773 ))
2.5 2.5 0.2
peak 1475 ppm1 1.027828 ppm2 0.4553976 volume 52900000 weight 1.0
REMARK dnoe: 2.365952 position 1.113299 1.41799
ASSI { 1476 }
( attr rmsd >= 1.35799 and attr rmsd <= 1.47799 )
(( attr rmsd >= 1.073299 and attr rmsd <= 1.153299 )
and bondedto ( attr rmsd >= 26.18526 and attr rmsd <= 27.78526 ))
2.5 2.5 0.2
peak 1476 ppm1 1.41799 ppm2 1.113299 volume 43300000 weight 1.0
REMARK dnoe: 2.942544 position 0.5474339 1.510686
ASSI { 1477 }
( attr rmsd >= 1.450686 and attr rmsd <= 1.570686 )
(( attr rmsd >= 0.5074339 and attr rmsd <= 0.5874339 )
and bondedto ( attr rmsd >= 26.29595 and attr rmsd <= 27.89595 ))
3.0 3.0 0.5999999
peak 1477 ppm1 1.510686 ppm2 0.5474339 volume 11700000 weight 1.0
REMARK dnoe: 2.535282 position 0.4580941 0.1711326
ASSI { 1478 }
( attr rmsd >= 0.1111326 and attr rmsd <= 0.2311326 )
(( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )
and bondedto ( attr rmsd >= 26.34035 and attr rmsd <= 27.94035 ))
3.0 3.0 0.5999999
peak 1478 ppm1 0.1711326 ppm2 0.4580941 volume 28600002 weight 1.0
REMARK dnoe: 2.59277 position 0.4580941 1.180653
ASSI { 1479 }
( attr rmsd >= 1.120653 and attr rmsd <= 1.240653 )
(( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )
and bondedto ( attr rmsd >= 26.18526 and attr rmsd <= 27.78526 ))
3.0 3.0 0.5999999
peak 1479 ppm1 1.180653 ppm2 0.4580941 volume 25000000 weight 1.0
REMARK dnoe: 2.522224 position 0.5462379 1.085744
ASSI { 1480 }
( attr rmsd >= 1.025744 and attr rmsd <= 1.145744 )
(( attr rmsd >= 0.5062379 and attr rmsd <= 0.5862379 )
and bondedto ( attr rmsd >= 26.25176 and attr rmsd <= 27.85176 ))
3.0 3.0 0.5999999
peak 1480 ppm1 1.085744 ppm2 0.5462379 volume 29499998 weight 1.0
REMARK dnoe: 3.028177 position 0.9780939 9.019865
ASSI { 1481 }
( attr rmsd >= 8.959865 and attr rmsd <= 9.079865 )
(( attr rmsd >= 0.9380939 and attr rmsd <= 1.018094 )
and bondedto ( attr rmsd >= 26.10564 and attr rmsd <= 27.70564 ))
3.6 3.6 1.4
peak 1481 ppm1 9.019865 ppm2 0.9780939 volume 9850000 weight 1.0
REMARK dnoe: 3.489048 position 0.5514903 9.34296
ASSI { 1482 }
( attr rmsd >= 9.28296 and attr rmsd <= 9.402961 )
(( attr rmsd >= 0.5114903 and attr rmsd <= 0.5914903 )
and bondedto ( attr rmsd >= 26.15026 and attr rmsd <= 27.75026 ))
3.6 3.6 1.4
peak 1482 ppm1 9.34296 ppm2 0.5514903 volume 4210000 weight 1.0
REMARK dnoe: 3.454375 position 0.5514669 9.106976
ASSI { 1483 }
( attr rmsd >= 9.046975 and attr rmsd <= 9.166976 )
(( attr rmsd >= 0.5114669 and attr rmsd <= 0.5914669 )
and bondedto ( attr rmsd >= 26.17280 and attr rmsd <= 27.77280 ))
3.6 3.6 1.4
peak 1483 ppm1 9.106976 ppm2 0.5514669 volume 4470000 weight 1.0
REMARK dnoe: 3.353491 position 0.356936 9.019865
ASSI { 1484 }
( attr rmsd >= 8.959865 and attr rmsd <= 9.079865 )
(( attr rmsd >= 0.316936 and attr rmsd <= 0.396936 )
and bondedto ( attr rmsd >= 26.16317 and attr rmsd <= 27.76317 ))
3.6 3.6 1.4
peak 1484 ppm1 9.019865 ppm2 0.356936 volume 5340000 weight 1.0
REMARK dnoe: 3.082692 position 0.5482783 6.569373
ASSI { 1485 }
( attr rmsd >= 6.509373 and attr rmsd <= 6.629373 )
(( attr rmsd >= 0.5082783 and attr rmsd <= 0.5882783 )
and bondedto ( attr rmsd >= 26.20342 and attr rmsd <= 27.80342 ))
3.6 3.6 1.4
peak 1485 ppm1 6.569373 ppm2 0.5482783 volume 8850000 weight 1.0
REMARK dnoe: 3.702119 position 0.5514903 7.175304
ASSI { 1486 }
( attr rmsd >= 7.115304 and attr rmsd <= 7.235304 )
(( attr rmsd >= 0.5114903 and attr rmsd <= 0.5914903 )
and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
4.2 4.2 1.8
peak 1486 ppm1 7.175304 ppm2 0.5514903 volume 0.295e+07 weight 1.0
REMARK dnoe: 3.254647 position 0.9780939 4.271835
ASSI { 1487 }
( attr rmsd >= 4.211835 and attr rmsd <= 4.331835 )
(( attr rmsd >= 0.9380939 and attr rmsd <= 1.018094 )
and bondedto ( attr rmsd >= 26.08158 and attr rmsd <= 27.68158 ))
3.6 3.6 1.4
peak 1487 ppm1 4.271835 ppm2 0.9780939 volume 6390000 weight 1.0
REMARK dnoe: 2.968476 position 1.115222 4.060212
ASSI { 1488 }
( attr rmsd >= 4.000212 and attr rmsd <= 4.120212 )
(( attr rmsd >= 1.075222 and attr rmsd <= 1.155222 )
and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
3.0 3.0 0.5999999
peak 1488 ppm1 4.060212 ppm2 1.115222 volume 11100000 weight 1.0
REMARK dnoe: 3.613779 position 0.3442736 4.252157
ASSI { 1489 }
( attr rmsd >= 4.192157 and attr rmsd <= 4.312157 )
(( attr rmsd >= 0.3042736 and attr rmsd <= 0.3842736 )
and bondedto ( attr rmsd >= 26.08005 and attr rmsd <= 27.68005 ))
4.2 4.2 1.8
peak 1489 ppm1 4.252157 ppm2 0.3442736 volume 3410000 weight 1.0
REMARK dnoe: 2.365043 position 0.3625398 0.9684501
ASSI { 1490 }
( attr rmsd >= 0.9084501 and attr rmsd <= 1.02845 )
(( attr rmsd >= 0.3225398 and attr rmsd <= 0.4025398 )
and bondedto ( attr rmsd >= 25.96368 and attr rmsd <= 27.56368 ))
2.5 2.5 0.2
peak 1490 ppm1 0.9684501 ppm2 0.3625398 volume 43400000 weight 1.0
REMARK dnoe: 2.459641 position 0.3655887 0.5906615
ASSI { 1491 }
( attr rmsd >= 0.5306615 and attr rmsd <= 0.6506615 )
(( attr rmsd >= 0.3255887 and attr rmsd <= 0.4055887 )
and bondedto ( attr rmsd >= 25.98577 and attr rmsd <= 27.58577 ))
2.5 2.5 0.2
peak 1491 ppm1 0.5906615 ppm2 0.3655887 volume 34300000 weight 1.0
REMARK dnoe: 2.716504 position 0.9759598 1.677991
ASSI { 1492 }
( attr rmsd >= 1.617991 and attr rmsd <= 1.737991 )
(( attr rmsd >= 0.9359598 and attr rmsd <= 1.01596 )
and bondedto ( attr rmsd >= 25.98008 and attr rmsd <= 27.58008 ))
3.0 3.0 0.5999999
peak 1492 ppm1 1.677991 ppm2 0.9759598 volume 18900000 weight 1.0
REMARK dnoe: 2.754202 position 0.9738967 1.524908
ASSI { 1493 }
( attr rmsd >= 1.464908 and attr rmsd <= 1.584908 )
(( attr rmsd >= 0.9338967 and attr rmsd <= 1.013897 )
and bondedto ( attr rmsd >= 25.98008 and attr rmsd <= 27.58008 ))
3.0 3.0 0.5999999
peak 1493 ppm1 1.524908 ppm2 0.9738967 volume 17400000 weight 1.0
REMARK dnoe: 2.190759 position 0.9759598 0.6021328
ASSI { 1494 }
( attr rmsd >= 0.5421328 and attr rmsd <= 0.6621328 )
(( attr rmsd >= 0.9359598 and attr rmsd <= 1.01596 )
and bondedto ( attr rmsd >= 26.06867 and attr rmsd <= 27.66867 ))
2.5 2.5 0.2
peak 1494 ppm1 0.6021328 ppm2 0.9759598 volume 68700000 weight 1.0
REMARK dnoe: 2.462039 position 0.6880326 1.253242
ASSI { 1495 }
( attr rmsd >= 1.193242 and attr rmsd <= 1.313242 )
(( attr rmsd >= 0.6480326 and attr rmsd <= 0.7280326 )
and bondedto ( attr rmsd >= 25.58197 and attr rmsd <= 27.18197 ))
2.5 2.5 0.2
peak 1495 ppm1 1.253242 ppm2 0.6880326 volume 34100000 weight 1.0
REMARK dnoe: 2.413786 position 0.6859689 1.453758
ASSI { 1496 }
( attr rmsd >= 1.393758 and attr rmsd <= 1.513758 )
(( attr rmsd >= 0.6459689 and attr rmsd <= 0.7259689 )
and bondedto ( attr rmsd >= 25.51569 and attr rmsd <= 27.11569 ))
2.5 2.5 0.2
peak 1496 ppm1 1.453758 ppm2 0.6859689 volume 38400000 weight 1.0
REMARK dnoe: 2.746366 position 4.369067 8.738962
ASSI { 1497 }
( attr rmsd >= 8.678962 and attr rmsd <= 8.798963 )
(( attr rmsd >= 4.329067 and attr rmsd <= 4.409067 )
and bondedto ( attr rmsd >= 53.69402 and attr rmsd <= 55.29402 ))
3.0 3.0 0.5999999
peak 1497 ppm1 8.738962 ppm2 4.369067 volume 17700000 weight 1.0
REMARK dnoe: 2.716504 position 4.235926 8.653548
ASSI { 1498 }
( attr rmsd >= 8.593548 and attr rmsd <= 8.713549 )
(( attr rmsd >= 4.195926 and attr rmsd <= 4.275926 )
and bondedto ( attr rmsd >= 53.68549 and attr rmsd <= 55.28549 ))
3.0 3.0 0.5999999
peak 1498 ppm1 8.653548 ppm2 4.235926 volume 18900000 weight 1.0
REMARK dnoe: 2.733645 position 4.97897 1.257109
ASSI { 1499 }
( attr rmsd >= 1.197109 and attr rmsd <= 1.317109 )
(( attr rmsd >= 4.93897 and attr rmsd <= 5.01897 )
and bondedto ( attr rmsd >= 53.58379 and attr rmsd <= 55.18379 ))
3.0 3.0 0.5999999
peak 1499 ppm1 1.257109 ppm2 4.97897 volume 18200000 weight 1.0
REMARK dnoe: 2.580864 position 4.9838 1.440267
ASSI { 1500 }
( attr rmsd >= 1.380267 and attr rmsd <= 1.500267 )
(( attr rmsd >= 4.9438 and attr rmsd <= 5.0238 )
and bondedto ( attr rmsd >= 53.65006 and attr rmsd <= 55.25006 ))
3.0 3.0 0.5999999
peak 1500 ppm1 1.440267 ppm2 4.9838 volume 25700000 weight 1.0
REMARK dnoe: 2.359637 position 4.98502 1.573608
ASSI { 1501 }
( attr rmsd >= 1.513608 and attr rmsd <= 1.633608 )
(( attr rmsd >= 4.94502 and attr rmsd <= 5.02502 )
and bondedto ( attr rmsd >= 53.71634 and attr rmsd <= 55.31634 ))
2.5 2.5 0.2
peak 1501 ppm1 1.573608 ppm2 4.98502 volume 44000000 weight 1.0
REMARK dnoe: 2.248956 position 5.025047 1.795822
ASSI { 1502 }
( attr rmsd >= 1.735822 and attr rmsd <= 1.855822 )
(( attr rmsd >= 4.985047 and attr rmsd <= 5.065047 )
and bondedto ( attr rmsd >= 53.53937 and attr rmsd <= 55.13937 ))
2.5 2.5 0.2
peak 1502 ppm1 1.795822 ppm2 5.025047 volume 58700000 weight 1.0
REMARK dnoe: 2.591045 position 5.010485 2.15782
ASSI { 1503 }
( attr rmsd >= 2.09782 and attr rmsd <= 2.21782 )
(( attr rmsd >= 4.970485 and attr rmsd <= 5.050485 )
and bondedto ( attr rmsd >= 53.87122 and attr rmsd <= 55.47122 ))
3.0 3.0 0.5999999
peak 1503 ppm1 2.15782 ppm2 5.010485 volume 25099998 weight 1.0
REMARK dnoe: 2.459641 position 5.180301 2.148175
ASSI { 1504 }
( attr rmsd >= 2.088175 and attr rmsd <= 2.208175 )
(( attr rmsd >= 5.140301 and attr rmsd <= 5.220301 )
and bondedto ( attr rmsd >= 53.77649 and attr rmsd <= 55.37649 ))
2.5 2.5 0.2
peak 1504 ppm1 2.148175 ppm2 5.180301 volume 34300000 weight 1.0
REMARK dnoe: 3.308575 position 4.251237 0.4049892
ASSI { 1505 }
( attr rmsd >= 0.3449892 and attr rmsd <= 0.4649892 )
(( attr rmsd >= 4.211237 and attr rmsd <= 4.291237 )
and bondedto ( attr rmsd >= 53.67215 and attr rmsd <= 55.27215 ))
3.6 3.6 1.4
peak 1505 ppm1 0.4049892 ppm2 4.251237 volume 5790000 weight 1.0
REMARK dnoe: 2.390497 position 4.982698 1.887895
ASSI { 1506 }
( attr rmsd >= 1.827895 and attr rmsd <= 1.947895 )
(( attr rmsd >= 4.942698 and attr rmsd <= 5.022698 )
and bondedto ( attr rmsd >= 53.46303 and attr rmsd <= 55.06303 ))
2.5 2.5 0.2
peak 1506 ppm1 1.887895 ppm2 4.982698 volume 40700000 weight 1.0
REMARK dnoe: 2.914185 position 0.6728377 1.761621
ASSI { 1507 }
( attr rmsd >= 1.701621 and attr rmsd <= 1.821621 )
(( attr rmsd >= 0.6328377 and attr rmsd <= 0.7128377 )
and bondedto ( attr rmsd >= 25.53778 and attr rmsd <= 27.13778 ))
3.0 3.0 0.5999999
peak 1507 ppm1 1.761621 ppm2 0.6728377 volume 12400000 weight 1.0
REMARK dnoe: 2.627153 position 0.686954 2.039625
ASSI { 1508 }
( attr rmsd >= 1.979625 and attr rmsd <= 2.099625 )
(( attr rmsd >= 0.646954 and attr rmsd <= 0.726954 )
and bondedto ( attr rmsd >= 25.47150 and attr rmsd <= 27.07150 ))
3.0 3.0 0.5999999
peak 1508 ppm1 2.039625 ppm2 0.686954 volume 23100000 weight 1.0
REMARK dnoe: 3.2572 position 0.6854763 6.680179
ASSI { 1509 }
( attr rmsd >= 6.620179 and attr rmsd <= 6.740179 )
(( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )
and bondedto ( attr rmsd >= 25.50847 and attr rmsd <= 27.10847 ))
3.6 3.6 1.4
peak 1509 ppm1 6.680179 ppm2 0.6854763 volume 6360000 weight 1.0
REMARK dnoe: 2.991367 position 0.6854763 6.850899
ASSI { 1510 }
( attr rmsd >= 6.790899 and attr rmsd <= 6.910899 )
(( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )
and bondedto ( attr rmsd >= 25.51438 and attr rmsd <= 27.11438 ))
3.0 3.0 0.5999999
peak 1510 ppm1 6.850899 ppm2 0.6854763 volume 10600000 weight 1.0
REMARK dnoe: 3.475424 position 0.6735411 9.216343
ASSI { 1511 }
( attr rmsd >= 9.156343 and attr rmsd <= 9.276343 )
(( attr rmsd >= 0.6335411 and attr rmsd <= 0.7135412 )
and bondedto ( attr rmsd >= 25.48988 and attr rmsd <= 27.08988 ))
3.6 3.6 1.4
peak 1511 ppm1 9.216343 ppm2 0.6735411 volume 4310000 weight 1.0
REMARK dnoe: 2.906424 position 0.41401 6.748364
ASSI { 1512 }
( attr rmsd >= 6.688364 and attr rmsd <= 6.808364 )
(( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )
and bondedto ( attr rmsd >= 25.29454 and attr rmsd <= 26.89454 ))
3.0 3.0 0.5999999
peak 1512 ppm1 6.748364 ppm2 0.41401 volume 12600000 weight 1.0
REMARK dnoe: 3.101672 position 0.4050531 6.879728
ASSI { 1513 }
( attr rmsd >= 6.819728 and attr rmsd <= 6.939728 )
(( attr rmsd >= 0.3650531 and attr rmsd <= 0.4450531 )
and bondedto ( attr rmsd >= 25.31663 and attr rmsd <= 26.91663 ))
3.6 3.6 1.4
peak 1513 ppm1 6.879728 ppm2 0.4050531 volume 8530000 weight 1.0
REMARK dnoe: 3.06617 position 0.6854763 5.39199
ASSI { 1514 }
( attr rmsd >= 5.33199 and attr rmsd <= 5.45199 )
(( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )
and bondedto ( attr rmsd >= 25.46254 and attr rmsd <= 27.06254 ))
3.6 3.6 1.4
peak 1514 ppm1 5.39199 ppm2 0.6854763 volume 9140000 weight 1.0
REMARK dnoe: 3.601561 position 0.6884546 4.081223
ASSI { 1515 }
( attr rmsd >= 4.021223 and attr rmsd <= 4.141223 )
(( attr rmsd >= 0.6484546 and attr rmsd <= 0.7284546 )
and bondedto ( attr rmsd >= 25.44088 and attr rmsd <= 27.04088 ))
4.2 4.2 1.8
peak 1515 ppm1 4.081223 ppm2 0.6884546 volume 3480000 weight 1.0
REMARK dnoe: 3.203279 position 0.6914325 3.737697
ASSI { 1518 }
( attr rmsd >= 4.19886 and attr rmsd <= 4.31886 )
(( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )
and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
3.6 3.6 1.4
peak 1518 ppm1 4.25886 ppm2 0.4110327 volume 5410000 weight 1.0
REMARK dnoe: 2.47804 position 1.092547 1.586325
ASSI { 1519 }
( attr rmsd >= 1.526325 and attr rmsd <= 1.646325 )
(( attr rmsd >= 1.052547 and attr rmsd <= 1.132547 )
and bondedto ( attr rmsd >= 25.49359 and attr rmsd <= 27.09359 ))
2.5 2.5 0.2
peak 1519 ppm1 1.586325 ppm2 1.092547 volume 32800000 weight 1.0
REMARK dnoe: 2.327284 position 1.112057 0.408319
ASSI { 1520 }
( attr rmsd >= 0.348319 and attr rmsd <= 0.468319 )
(( attr rmsd >= 1.072057 and attr rmsd <= 1.152057 )
and bondedto ( attr rmsd >= 25.42141 and attr rmsd <= 27.02141 ))
2.5 2.5 0.2
peak 1520 ppm1 0.408319 ppm2 1.112057 volume 47800000 weight 1.0
REMARK dnoe: 2.835928 position 1.115035 -0.1925426
ASSI { 1521 }
( attr rmsd >= -0.2525426 and attr rmsd <= -0.1325426 )
(( attr rmsd >= 1.075035 and attr rmsd <= 1.155035 )
and bondedto ( attr rmsd >= 25.47150 and attr rmsd <= 27.07150 ))
3.0 3.0 0.5999999
peak 1521 ppm1 -0.1925426 ppm2 1.115035 volume 14600000 weight 1.0
REMARK dnoe: 2.792977 position 1.115035 0.1520348
ASSI { 1522 }
( attr rmsd >= 0.0920348 and attr rmsd <= 0.2120348 )
(( attr rmsd >= 1.075035 and attr rmsd <= 1.155035 )
and bondedto ( attr rmsd >= 25.49359 and attr rmsd <= 27.09359 ))
3.0 3.0 0.5999999
peak 1522 ppm1 0.1520348 ppm2 1.115035 volume 16000000 weight 1.0
REMARK dnoe: 2.562899 position 0.41401 -0.1946902
ASSI { 1523 }
( attr rmsd >= -0.2546902 and attr rmsd <= -0.1346902 )
(( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )
and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
3.0 3.0 0.5999999
peak 1523 ppm1 -0.1946902 ppm2 0.41401 volume 26800000 weight 1.0
REMARK dnoe: 2.4718 position 0.41401 0.1606493
ASSI { 1524 }
( attr rmsd >= 0.1006493 and attr rmsd <= 0.2206493 )
(( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )
and bondedto ( attr rmsd >= 25.25035 and attr rmsd <= 26.85035 ))
2.5 2.5 0.2
peak 1524 ppm1 0.1606493 ppm2 0.41401 volume 33300000 weight 1.0
REMARK dnoe: 2.748961 position 0.4110327 -0.041801
ASSI { 1525 }
( attr rmsd >= -0.101801 and attr rmsd <= 0.018199 )
(( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )
and bondedto ( attr rmsd >= 25.27244 and attr rmsd <= 26.87244 ))
3.0 3.0 0.5999999
peak 1525 ppm1 -0.041801 ppm2 0.4110327 volume 17600000 weight 1.0
REMARK dnoe: 2.138539 position 0.4110327 1.114681
ASSI { 1526 }
( attr rmsd >= 1.054681 and attr rmsd <= 1.174681 )
(( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )
and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
2.5 2.5 0.2
peak 1526 ppm1 1.114681 ppm2 0.4110327 volume 79400000 weight 1.0
REMARK dnoe: 2.569331 position 0.41401 1.590622
ASSI { 1527 }
( attr rmsd >= 1.530622 and attr rmsd <= 1.650622 )
(( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )
and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
3.0 3.0 0.5999999
peak 1527 ppm1 1.590622 ppm2 0.41401 volume 26400000 weight 1.0
REMARK dnoe: 2.820057 position 5.02983 8.335975
ASSI { 1528 }
( attr rmsd >= 8.275974 and attr rmsd <= 8.395975 )
(( attr rmsd >= 4.98983 and attr rmsd <= 5.06983 )
and bondedto ( attr rmsd >= 53.38472 and attr rmsd <= 54.98472 ))
3.0 3.0 0.5999999
peak 1528 ppm1 8.335975 ppm2 5.02983 volume 15099999 weight 1.0
REMARK dnoe: 2.859246 position 6.127772 9.360103
ASSI { 1529 }
( attr rmsd >= 9.300102 and attr rmsd <= 9.420103 )
(( attr rmsd >= 6.087772 and attr rmsd <= 6.167772 )
and bondedto ( attr rmsd >= 53.07498 and attr rmsd <= 54.67498 ))
3.0 3.0 0.5999999
peak 1529 ppm1 9.360103 ppm2 6.127772 volume 13900000 weight 1.0
REMARK dnoe: 2.756849 position 6.129788 9.090586
ASSI { 1530 }
( attr rmsd >= 9.030585 and attr rmsd <= 9.150586 )
(( attr rmsd >= 6.089788 and attr rmsd <= 6.169788 )
and bondedto ( attr rmsd >= 53.03079 and attr rmsd <= 54.63079 ))
3.0 3.0 0.5999999
peak 1530 ppm1 9.090586 ppm2 6.129788 volume 17300000 weight 1.0
REMARK dnoe: 2.726206 position 6.121957 5.623956
ASSI { 1531 }
( attr rmsd >= 5.563956 and attr rmsd <= 5.683956 )
(( attr rmsd >= 6.081957 and attr rmsd <= 6.161957 )
and bondedto ( attr rmsd >= 53.03079 and attr rmsd <= 54.63079 ))
3.0 3.0 0.5999999
peak 1531 ppm1 5.623956 ppm2 6.121957 volume 18500000 weight 1.0
REMARK dnoe: 2.526525 position 4.53077 3.709019
ASSI { 1532 }
( attr rmsd >= 3.649019 and attr rmsd <= 3.769019 )
(( attr rmsd >= 4.49077 and attr rmsd <= 4.57077 )
and bondedto ( attr rmsd >= 52.58827 and attr rmsd <= 54.18827 ))
3.0 3.0 0.5999999
peak 1532 ppm1 3.709019 ppm2 4.53077 volume 29200000 weight 1.0
REMARK dnoe: 2.596243 position 4.52873 3.590436
ASSI { 1533 }
( attr rmsd >= 3.530436 and attr rmsd <= 3.650436 )
(( attr rmsd >= 4.48873 and attr rmsd <= 4.56873 )
and bondedto ( attr rmsd >= 52.61037 and attr rmsd <= 54.21037 ))
3.0 3.0 0.5999999
peak 1533 ppm1 3.590436 ppm2 4.52873 volume 24800000 weight 1.0
REMARK dnoe: 2.869663 position 4.534756 2.708607
ASSI { 1534 }
( attr rmsd >= 2.648607 and attr rmsd <= 2.768607 )
(( attr rmsd >= 4.494756 and attr rmsd <= 4.574756 )
and bondedto ( attr rmsd >= 52.87592 and attr rmsd <= 54.47592 ))
3.0 3.0 0.5999999
peak 1534 ppm1 2.708607 ppm2 4.534756 volume 13600001 weight 1.0
REMARK dnoe: 2.7872 position 6.127772 1.75696
ASSI { 1535 }
( attr rmsd >= 1.69696 and attr rmsd <= 1.81696 )
(( attr rmsd >= 6.087772 and attr rmsd <= 6.167772 )
and bondedto ( attr rmsd >= 53.07498 and attr rmsd <= 54.67498 ))
3.0 3.0 0.5999999
peak 1535 ppm1 1.75696 ppm2 6.127772 volume 16200000 weight 1.0
REMARK dnoe: 2.754202 position 6.129788 1.416293
ASSI { 1536 }
( attr rmsd >= 1.356293 and attr rmsd <= 1.476293 )
(( attr rmsd >= 6.089788 and attr rmsd <= 6.169788 )
and bondedto ( attr rmsd >= 53.09708 and attr rmsd <= 54.69708 ))
3.0 3.0 0.5999999
peak 1536 ppm1 1.416293 ppm2 6.129788 volume 17400000 weight 1.0
REMARK dnoe: 2.829504 position 5.005373 0.7283201
ASSI { 1537 }
( attr rmsd >= 0.6683201 and attr rmsd <= 0.7883201 )
(( attr rmsd >= 4.965373 and attr rmsd <= 5.045373 )
and bondedto ( attr rmsd >= 53.38078 and attr rmsd <= 54.98078 ))
3.0 3.0 0.5999999
peak 1537 ppm1 0.7283201 ppm2 5.005373 volume 14800000 weight 1.0
REMARK dnoe: 3.233085 position 6.128452 7.172533
ASSI { 1538 }
( attr rmsd >= 7.112533 and attr rmsd <= 7.232533 )
(( attr rmsd >= 6.088452 and attr rmsd <= 6.168452 )
and bondedto ( attr rmsd >= 53.03670 and attr rmsd <= 54.63670 ))
3.6 3.6 1.4
peak 1538 ppm1 7.172533 ppm2 6.128452 volume 6650000 weight 1.0
REMARK dnoe: 2.942544 position 6.119705 1.29539
ASSI { 1539 }
( attr rmsd >= 1.23539 and attr rmsd <= 1.35539 )
(( attr rmsd >= 6.079705 and attr rmsd <= 6.159705 )
and bondedto ( attr rmsd >= 53.04720 and attr rmsd <= 54.64720 ))
3.0 3.0 0.5999999
peak 1539 ppm1 1.29539 ppm2 6.119705 volume 11700000 weight 1.0
REMARK dnoe: 4.807746 position 0.4107509 7.730967
ASSI { 1540 }
( attr rmsd >= 7.670967 and attr rmsd <= 7.790967 )
(( attr rmsd >= 0.3707509 and attr rmsd <= 0.4507509 )
and bondedto ( attr rmsd >= 25.14930 and attr rmsd <= 26.74930 ))
4.2 4.2 1.8
peak 1540 ppm1 7.730967 ppm2 0.4107509 volume 615000 weight 1.0
REMARK dnoe: 3.442917 position 0.4148312 6.572251
ASSI { 1541 }
( attr rmsd >= 6.512251 and attr rmsd <= 6.632251 )
(( attr rmsd >= 0.3748312 and attr rmsd <= 0.4548312 )
and bondedto ( attr rmsd >= 25.24204 and attr rmsd <= 26.84204 ))
3.6 3.6 1.4
peak 1541 ppm1 6.572251 ppm2 0.4148312 volume 4560000 weight 1.0
REMARK dnoe: 3.875961 position 0.4148312 6.465527
ASSI { 1542 }
( attr rmsd >= 6.405527 and attr rmsd <= 6.525527 )
(( attr rmsd >= 0.3748312 and attr rmsd <= 0.4548312 )
and bondedto ( attr rmsd >= 25.23963 and attr rmsd <= 26.83963 ))
4.2 4.2 1.8
peak 1542 ppm1 6.465527 ppm2 0.4148312 volume 2240000 weight 1.0
REMARK dnoe: 2.667106 position 1.097401 4.11235
ASSI { 1543 }
( attr rmsd >= 4.05235 and attr rmsd <= 4.17235 )
(( attr rmsd >= 1.057401 and attr rmsd <= 1.137401 )
and bondedto ( attr rmsd >= 24.96270 and attr rmsd <= 26.56270 ))
3.0 3.0 0.5999999
peak 1543 ppm1 4.11235 ppm2 1.097401 volume 21100000 weight 1.0
REMARK dnoe: 2.756849 position 1.091633 2.953635
ASSI { 1544 }
( attr rmsd >= 2.893635 and attr rmsd <= 3.013635 )
(( attr rmsd >= 1.051633 and attr rmsd <= 1.131633 )
and bondedto ( attr rmsd >= 24.87433 and attr rmsd <= 26.47433 ))
3.0 3.0 0.5999999
peak 1544 ppm1 2.953635 ppm2 1.091633 volume 17300000 weight 1.0
REMARK dnoe: 2.556579 position 0.6737757 0.9216828
ASSI { 1545 }
( attr rmsd >= 0.8616828 and attr rmsd <= 0.9816828 )
(( attr rmsd >= 0.6337757 and attr rmsd <= 0.7137757 )
and bondedto ( attr rmsd >= 25.55987 and attr rmsd <= 27.15987 ))
3.0 3.0 0.5999999
peak 1545 ppm1 0.9216828 ppm2 0.6737757 volume 27200002 weight 1.0
REMARK dnoe: 2.778689 position 0.4113841 0.6609302
ASSI { 1546 }
( attr rmsd >= 0.6009302 and attr rmsd <= 0.7209302 )
(( attr rmsd >= 0.3713841 and attr rmsd <= 0.4513841 )
and bondedto ( attr rmsd >= 25.26151 and attr rmsd <= 26.86151 ))
3.0 3.0 0.5999999
peak 1546 ppm1 0.6609302 ppm2 0.4113841 volume 16500001 weight 1.0
REMARK dnoe: 2.991367 position 0.4098134 1.370342
ASSI { 1547 }
( attr rmsd >= 1.310342 and attr rmsd <= 1.430342 )
(( attr rmsd >= 0.3698134 and attr rmsd <= 0.4498134 )
and bondedto ( attr rmsd >= 25.23832 and attr rmsd <= 26.83832 ))
3.0 3.0 0.5999999
peak 1547 ppm1 1.370342 ppm2 0.4098134 volume 10600000 weight 1.0
REMARK dnoe: 2.723758 position 5.381585 9.875271
ASSI { 1549 }
( attr rmsd >= 9.81527 and attr rmsd <= 9.935271 )
(( attr rmsd >= 5.341585 and attr rmsd <= 5.421585 )
and bondedto ( attr rmsd >= 52.40890 and attr rmsd <= 54.00890 ))
3.0 3.0 0.5999999
peak 1549 ppm1 9.875271 ppm2 5.381585 volume 18600000 weight 1.0
REMARK dnoe: 3.212484 position 1.104225 7.781966
ASSI { 1550 }
( attr rmsd >= 7.721966 and attr rmsd <= 7.841966 )
(( attr rmsd >= 1.064225 and attr rmsd <= 1.144225 )
and bondedto ( attr rmsd >= 24.99945 and attr rmsd <= 26.59945 ))
3.6 3.6 1.4
peak 1550 ppm1 7.781966 ppm2 1.104225 volume 6910000 weight 1.0
REMARK dnoe: 3.355589 position 1.106335 8.413289
ASSI { 1551 }
( attr rmsd >= 8.353289 and attr rmsd <= 8.473289 )
(( attr rmsd >= 1.066335 and attr rmsd <= 1.146335 )
and bondedto ( attr rmsd >= 24.86908 and attr rmsd <= 26.46908 ))
3.6 3.6 1.4
peak 1551 ppm1 8.413289 ppm2 1.106335 volume 5320000 weight 1.0
REMARK dnoe: 2.509622 position 1.092454 -0.057375
ASSI { 1552 }
( attr rmsd >= -0.117375 and attr rmsd <= 0.002625 )
(( attr rmsd >= 1.052454 and attr rmsd <= 1.132454 )
and bondedto ( attr rmsd >= 24.97845 and attr rmsd <= 26.57845 ))
3.0 3.0 0.5999999
peak 1552 ppm1 -0.057375 ppm2 1.092454 volume 30400000 weight 1.0
REMARK dnoe: 2.634812 position 1.090155 0.6054626
ASSI { 1553 }
( attr rmsd >= 0.5454626 and attr rmsd <= 0.6654626 )
(( attr rmsd >= 1.050155 and attr rmsd <= 1.130155 )
and bondedto ( attr rmsd >= 25.04408 and attr rmsd <= 26.64408 ))
3.0 3.0 0.5999999
peak 1553 ppm1 0.6054626 ppm2 1.090155 volume 22700000 weight 1.0
REMARK dnoe: 2.203781 position 1.090155 1.487829
ASSI { 1554 }
( attr rmsd >= 1.427829 and attr rmsd <= 1.547829 )
(( attr rmsd >= 1.050155 and attr rmsd <= 1.130155 )
and bondedto ( attr rmsd >= 24.93471 and attr rmsd <= 26.53471 ))
2.5 2.5 0.2
peak 1554 ppm1 1.487829 ppm2 1.090155 volume 66300000 weight 1.0
REMARK dnoe: 2.43989 position 5.430452 9.319566
ASSI { 1555 }
( attr rmsd >= 9.259565 and attr rmsd <= 9.379566 )
(( attr rmsd >= 5.390452 and attr rmsd <= 5.470452 )
and bondedto ( attr rmsd >= 52.12454 and attr rmsd <= 53.72454 ))
2.5 2.5 0.2
peak 1555 ppm1 9.319566 ppm2 5.430452 volume 36000000 weight 1.0
REMARK dnoe: 2.964042 position 4.529434 1.995779
ASSI { 1556 }
( attr rmsd >= 1.935779 and attr rmsd <= 2.055779 )
(( attr rmsd >= 4.489434 and attr rmsd <= 4.569434 )
and bondedto ( attr rmsd >= 52.60577 and attr rmsd <= 54.20577 ))
3.0 3.0 0.5999999
peak 1556 ppm1 1.995779 ppm2 4.529434 volume 11200000 weight 1.0
REMARK dnoe: 3.060615 position 4.521367 1.80811
ASSI { 1557 }
( attr rmsd >= 1.74811 and attr rmsd <= 1.86811 )
(( attr rmsd >= 4.481367 and attr rmsd <= 4.561367 )
and bondedto ( attr rmsd >= 52.54015 and attr rmsd <= 54.14015 ))
3.6 3.6 1.4
peak 1557 ppm1 1.80811 ppm2 4.521367 volume 9240000 weight 1.0
REMARK dnoe: 3.710552 position 4.523383 2.318831
ASSI { 1558 }
( attr rmsd >= 2.258831 and attr rmsd <= 2.378831 )
(( attr rmsd >= 4.483383 and attr rmsd <= 4.563383 )
and bondedto ( attr rmsd >= 52.59177 and attr rmsd <= 54.19177 ))
4.2 4.2 1.8
peak 1558 ppm1 2.318831 ppm2 4.523383 volume 2910000 weight 1.0
REMARK dnoe: 2.839178 position 5.413054 0.5264077
ASSI { 1559 }
( attr rmsd >= 0.4664077 and attr rmsd <= 0.5864077 )
(( attr rmsd >= 5.373054 and attr rmsd <= 5.453054 )
and bondedto ( attr rmsd >= 52.19016 and attr rmsd <= 53.79016 ))
3.0 3.0 0.5999999
peak 1559 ppm1 0.5264077 ppm2 5.413054 volume 14500000 weight 1.0
REMARK dnoe: 2.395427 position 5.384821 0.7489436
ASSI { 1560 }
( attr rmsd >= 0.6889436 and attr rmsd <= 0.8089436 )
(( attr rmsd >= 5.344821 and attr rmsd <= 5.424821 )
and bondedto ( attr rmsd >= 52.37281 and attr rmsd <= 53.97281 ))
2.5 2.5 0.2
peak 1560 ppm1 0.7489436 ppm2 5.384821 volume 40200000 weight 1.0
REMARK dnoe: 2.443295 position 5.429163 0.9422848
ASSI { 1561 }
( attr rmsd >= 0.8822848 and attr rmsd <= 1.002285 )
(( attr rmsd >= 5.389163 and attr rmsd <= 5.469163 )
and bondedto ( attr rmsd >= 52.14641 and attr rmsd <= 53.74641 ))
2.5 2.5 0.2
peak 1561 ppm1 0.9422848 ppm2 5.429163 volume 35700000 weight 1.0
REMARK dnoe: 2.686553 position 5.43118 1.08946
ASSI { 1562 }
( attr rmsd >= 1.02946 and attr rmsd <= 1.14946 )
(( attr rmsd >= 5.39118 and attr rmsd <= 5.47118 )
and bondedto ( attr rmsd >= 52.21204 and attr rmsd <= 53.81204 ))
3.0 3.0 0.5999999
peak 1562 ppm1 1.08946 ppm2 5.43118 volume 20200000 weight 1.0
REMARK dnoe: 2.642631 position 5.382804 1.264349
ASSI { 1563 }
( attr rmsd >= 1.204349 and attr rmsd <= 1.324349 )
(( attr rmsd >= 5.342804 and attr rmsd <= 5.422804 )
and bondedto ( attr rmsd >= 52.39294 and attr rmsd <= 53.99294 ))
3.0 3.0 0.5999999
peak 1563 ppm1 1.264349 ppm2 5.382804 volume 22300000 weight 1.0
REMARK dnoe: 2.646602 position 5.384821 1.437389
ASSI { 1564 }
( attr rmsd >= 1.377389 and attr rmsd <= 1.497389 )
(( attr rmsd >= 5.344821 and attr rmsd <= 5.424821 )
and bondedto ( attr rmsd >= 52.36997 and attr rmsd <= 53.96997 ))
3.0 3.0 0.5999999
peak 1564 ppm1 1.437389 ppm2 5.384821 volume 22100000 weight 1.0
REMARK dnoe: 3.088536 position 0.7784743 6.719148
ASSI { 1565 }
( attr rmsd >= 6.659148 and attr rmsd <= 6.779148 )
(( attr rmsd >= 0.7384742 and attr rmsd <= 0.8184743 )
and bondedto ( attr rmsd >= 24.58428 and attr rmsd <= 26.18428 ))
3.6 3.6 1.4
peak 1565 ppm1 6.719148 ppm2 0.7784743 volume 8750000 weight 1.0
REMARK dnoe: 3.434186 position 0.7737379 4.0783
ASSI { 1568 }
( attr rmsd >= 4.0183 and attr rmsd <= 4.1383 )
(( attr rmsd >= 0.7337379 and attr rmsd <= 0.8137379 )
and bondedto ( attr rmsd >= 24.56284 and attr rmsd <= 26.16284 ))
3.6 3.6 1.4
peak 1568 ppm1 4.0783 ppm2 0.7737379 volume 4630000 weight 1.0
REMARK dnoe: 3.005715 position 0.7804444 3.788525
ASSI { 1569 }
( attr rmsd >= 3.728525 and attr rmsd <= 3.848525 )
(( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )
and bondedto ( attr rmsd >= 24.54097 and attr rmsd <= 26.14097 ))
3.6 3.6 1.4
peak 1569 ppm1 3.788525 ppm2 0.7804444 volume 10300000 weight 1.0
REMARK dnoe: 3.328016 position 0.7714865 3.52195
ASSI { 1570 }
( attr rmsd >= 3.46195 and attr rmsd <= 3.58195 )
(( attr rmsd >= 0.7314865 and attr rmsd <= 0.8114865 )
and bondedto ( attr rmsd >= 24.57050 and attr rmsd <= 26.17050 ))
3.6 3.6 1.4
peak 1570 ppm1 3.52195 ppm2 0.7714865 volume 5590000 weight 1.0
REMARK dnoe: 2.845758 position 1.288977 3.806742
ASSI { 1573 }
( attr rmsd >= 3.746742 and attr rmsd <= 3.866742 )
(( attr rmsd >= 1.248977 and attr rmsd <= 1.328977 )
and bondedto ( attr rmsd >= 24.34410 and attr rmsd <= 25.94410 ))
3.0 3.0 0.5999999
peak 1573 ppm1 3.806742 ppm2 1.288977 volume 14300001 weight 1.0
REMARK dnoe: 2.866161 position 1.198113 3.821178
ASSI { 1574 }
( attr rmsd >= 3.761178 and attr rmsd <= 3.881178 )
(( attr rmsd >= 1.158113 and attr rmsd <= 1.238113 )
and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
3.0 3.0 0.5999999
peak 1574 ppm1 3.821178 ppm2 1.198113 volume 13699999 weight 1.0
REMARK dnoe: 2.615949 position 1.288977 2.855396
ASSI { 1575 }
( attr rmsd >= 2.795396 and attr rmsd <= 2.915396 )
(( attr rmsd >= 1.248977 and attr rmsd <= 1.328977 )
and bondedto ( attr rmsd >= 24.36597 and attr rmsd <= 25.96597 ))
3.0 3.0 0.5999999
peak 1575 ppm1 2.855396 ppm2 1.288977 volume 23700000 weight 1.0
REMARK dnoe: 2.519385 position 1.195769 2.853333
ASSI { 1576 }
( attr rmsd >= 2.793333 and attr rmsd <= 2.913333 )
(( attr rmsd >= 1.155769 and attr rmsd <= 1.235769 )
and bondedto ( attr rmsd >= 24.34410 and attr rmsd <= 25.94410 ))
3.0 3.0 0.5999999
peak 1576 ppm1 2.853333 ppm2 1.195769 volume 29700000 weight 1.0
REMARK dnoe: 2.883976 position 0.769259 2.007186
ASSI { 1577 }
( attr rmsd >= 1.947186 and attr rmsd <= 2.067186 )
(( attr rmsd >= 0.729259 and attr rmsd <= 0.809259 )
and bondedto ( attr rmsd >= 24.62846 and attr rmsd <= 26.22846 ))
3.0 3.0 0.5999999
peak 1577 ppm1 2.007186 ppm2 0.769259 volume 13200000 weight 1.0
REMARK dnoe: 3.010607 position 0.769259 1.800505
ASSI { 1578 }
( attr rmsd >= 1.740505 and attr rmsd <= 1.860505 )
(( attr rmsd >= 0.729259 and attr rmsd <= 0.809259 )
and bondedto ( attr rmsd >= 24.69409 and attr rmsd <= 26.29409 ))
3.6 3.6 1.4
peak 1578 ppm1 1.800505 ppm2 0.769259 volume 10200000 weight 1.0
REMARK dnoe: 2.34649 position 0.7804444 1.437668
ASSI { 1579 }
( attr rmsd >= 1.377668 and attr rmsd <= 1.497668 )
(( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )
and bondedto ( attr rmsd >= 24.58231 and attr rmsd <= 26.18231 ))
2.5 2.5 0.2
peak 1579 ppm1 1.437668 ppm2 0.7804444 volume 45500000 weight 1.0
REMARK dnoe: 2.402451 position 0.7775836 1.091888
ASSI { 1580 }
( attr rmsd >= 1.031888 and attr rmsd <= 1.151888 )
(( attr rmsd >= 0.7375836 and attr rmsd <= 0.8175836 )
and bondedto ( attr rmsd >= 24.59368 and attr rmsd <= 26.19368 ))
2.5 2.5 0.2
peak 1580 ppm1 1.091888 ppm2 0.7775836 volume 39500000 weight 1.0
REMARK dnoe: 3.235522 position 0.7804444 0.2572556
ASSI { 1581 }
( attr rmsd >= 0.1972556 and attr rmsd <= 0.3172556 )
(( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )
and bondedto ( attr rmsd >= 24.56722 and attr rmsd <= 26.16722 ))
3.6 3.6 1.4
peak 1581 ppm1 0.2572556 ppm2 0.7804444 volume 6620000 weight 1.0
REMARK dnoe: 2.163304 position 1.417125 1.730709
ASSI { 1582 }
( attr rmsd >= 1.670709 and attr rmsd <= 1.790709 )
(( attr rmsd >= 1.377125 and attr rmsd <= 1.457125 )
and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
2.5 2.5 0.2
peak 1582 ppm1 1.730709 ppm2 1.417125 volume 74100000 weight 1.0
REMARK dnoe: 2.489558 position 1.300632 1.736895
ASSI { 1583 }
( attr rmsd >= 1.676895 and attr rmsd <= 1.796895 )
(( attr rmsd >= 1.260632 and attr rmsd <= 1.340632 )
and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
2.5 2.5 0.2
peak 1583 ppm1 1.736895 ppm2 1.300632 volume 31900000 weight 1.0
REMARK dnoe: 2.218524 position 1.312262 1.588302
ASSI { 1584 }
( attr rmsd >= 1.528302 and attr rmsd <= 1.648302 )
(( attr rmsd >= 1.272262 and attr rmsd <= 1.352262 )
and bondedto ( attr rmsd >= 24.30035 and attr rmsd <= 25.90035 ))
2.5 2.5 0.2
peak 1584 ppm1 1.588302 ppm2 1.312262 volume 63700004 weight 1.0
REMARK dnoe: 1.910879 position 1.421791 1.606884
ASSI { 1585 }
( attr rmsd >= 1.546884 and attr rmsd <= 1.666884 )
(( attr rmsd >= 1.381791 and attr rmsd <= 1.461791 )
and bondedto ( attr rmsd >= 24.25660 and attr rmsd <= 25.85660 ))
2.5 2.5 0.2
peak 1585 ppm1 1.606884 ppm2 1.421791 volume 156000000 weight 1.0
REMARK dnoe: 2.109859 position 1.528952 1.649956
ASSI { 1586 }
( attr rmsd >= 1.589956 and attr rmsd <= 1.709956 )
(( attr rmsd >= 1.488952 and attr rmsd <= 1.568952 )
and bondedto ( attr rmsd >= 23.99411 and attr rmsd <= 25.59411 ))
2.5 2.5 0.2
peak 1586 ppm1 1.649956 ppm2 1.528952 volume 86100000 weight 1.0
REMARK dnoe: 3.484922 position 1.283725 8.970928
ASSI { 1587 }
( attr rmsd >= 8.910928 and attr rmsd <= 9.030929 )
(( attr rmsd >= 1.243725 and attr rmsd <= 1.323725 )
and bondedto ( attr rmsd >= 24.23473 and attr rmsd <= 25.83473 ))
3.6 3.6 1.4
peak 1587 ppm1 8.970928 ppm2 1.283725 volume 4240000 weight 1.0
REMARK dnoe: 3.681607 position 1.185897 8.974646
ASSI { 1588 }
( attr rmsd >= 8.914645 and attr rmsd <= 9.034646 )
(( attr rmsd >= 1.145897 and attr rmsd <= 1.225897 )
and bondedto ( attr rmsd >= 24.30494 and attr rmsd <= 25.90494 ))
4.2 4.2 1.8
peak 1588 ppm1 8.974646 ppm2 1.185897 volume 3050000 weight 1.0
REMARK dnoe: 4.078558 position 0.7745585 4.315208
ASSI { 1589 }
( attr rmsd >= 4.255208 and attr rmsd <= 4.375208 )
(( attr rmsd >= 0.7345585 and attr rmsd <= 0.8145585 )
and bondedto ( attr rmsd >= 24.49722 and attr rmsd <= 26.09722 ))
4.2 4.2 1.8
peak 1589 ppm1 4.315208 ppm2 0.7745585 volume 0.165e+07 weight 1.0
REMARK dnoe: 3.320143 position 1.399633 4.23843
ASSI { 1590 }
( attr rmsd >= 4.17843 and attr rmsd <= 4.29843 )
(( attr rmsd >= 1.359633 and attr rmsd <= 1.439633 )
and bondedto ( attr rmsd >= 24.23473 and attr rmsd <= 25.83473 ))
3.6 3.6 1.4
peak 1590 ppm1 4.23843 ppm2 1.399633 volume 0.567e+07 weight 1.0
REMARK dnoe: 3.035932 position 1.527968 3.003731
ASSI { 1591 }
( attr rmsd >= 2.943731 and attr rmsd <= 3.063731 )
(( attr rmsd >= 1.487968 and attr rmsd <= 1.567968 )
and bondedto ( attr rmsd >= 24.03786 and attr rmsd <= 25.63786 ))
3.6 3.6 1.4
peak 1591 ppm1 3.003731 ppm2 1.527968 volume 9700000 weight 1.0
REMARK dnoe: 2.849088 position 1.399633 2.937479
ASSI { 1592 }
( attr rmsd >= 2.877479 and attr rmsd <= 2.997479 )
(( attr rmsd >= 1.359633 and attr rmsd <= 1.439633 )
and bondedto ( attr rmsd >= 24.27848 and attr rmsd <= 25.87848 ))
3.0 3.0 0.5999999
peak 1592 ppm1 2.937479 ppm2 1.399633 volume 14200000 weight 1.0
REMARK dnoe: 2.934244 position 1.439565 2.981411
ASSI { 1593 }
( attr rmsd >= 2.921411 and attr rmsd <= 3.041411 )
(( attr rmsd >= 1.399565 and attr rmsd <= 1.479565 )
and bondedto ( attr rmsd >= 24.12535 and attr rmsd <= 25.72535 ))
3.0 3.0 0.5999999
peak 1593 ppm1 2.981411 ppm2 1.439565 volume 11900000 weight 1.0
REMARK dnoe: 2.182369 position 1.188664 1.481191
ASSI { 1594 }
( attr rmsd >= 1.421191 and attr rmsd <= 1.541191 )
(( attr rmsd >= 1.148664 and attr rmsd <= 1.228664 )
and bondedto ( attr rmsd >= 24.37538 and attr rmsd <= 25.97538 ))
2.5 2.5 0.2
peak 1594 ppm1 1.481191 ppm2 1.188664 volume 70300000 weight 1.0
REMARK dnoe: 2.470565 position 1.533478 1.823684
ASSI { 1595 }
( attr rmsd >= 1.763684 and attr rmsd <= 1.883684 )
(( attr rmsd >= 1.493478 and attr rmsd <= 1.573478 )
and bondedto ( attr rmsd >= 24.10348 and attr rmsd <= 25.70348 ))
2.5 2.5 0.2
peak 1595 ppm1 1.823684 ppm2 1.533478 volume 33400000 weight 1.0
REMARK dnoe: 2.762197 position 5.430218 9.155655
ASSI { 1596 }
( attr rmsd >= 9.095654 and attr rmsd <= 9.215655 )
(( attr rmsd >= 5.390218 and attr rmsd <= 5.470218 )
and bondedto ( attr rmsd >= 52.05892 and attr rmsd <= 53.65892 ))
3.0 3.0 0.5999999
peak 1596 ppm1 9.155655 ppm2 5.430218 volume 17100000 weight 1.0
REMARK dnoe: 2.601515 position 5.990925 9.488353
ASSI { 1597 }
( attr rmsd >= 9.428352 and attr rmsd <= 9.548353 )
(( attr rmsd >= 5.950925 and attr rmsd <= 6.030925 )
and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
3.0 3.0 0.5999999
peak 1597 ppm1 9.488353 ppm2 5.990925 volume 24500000 weight 1.0
REMARK dnoe: 2.926104 position 5.994442 9.255892
ASSI { 1598 }
( attr rmsd >= 9.195891 and attr rmsd <= 9.315892 )
(( attr rmsd >= 5.954442 and attr rmsd <= 6.034442 )
and bondedto ( attr rmsd >= 51.79642 and attr rmsd <= 53.39642 ))
3.0 3.0 0.5999999
peak 1598 ppm1 9.255892 ppm2 5.994442 volume 12100000 weight 1.0
REMARK dnoe: 3.601561 position 5.992426 8.570884
ASSI { 1599 }
( attr rmsd >= 8.510883 and attr rmsd <= 8.630884 )
(( attr rmsd >= 5.952426 and attr rmsd <= 6.032426 )
and bondedto ( attr rmsd >= 51.86839 and attr rmsd <= 53.46839 ))
4.2 4.2 1.8
peak 1599 ppm1 8.570884 ppm2 5.992426 volume 3480000 weight 1.0
REMARK dnoe: 2.951012 position 5.994442 6.890706
ASSI { 1600 }
( attr rmsd >= 6.830706 and attr rmsd <= 6.950706 )
(( attr rmsd >= 5.954442 and attr rmsd <= 6.034442 )
and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
3.0 3.0 0.5999999
peak 1600 ppm1 6.890706 ppm2 5.994442 volume 11500000 weight 1.0
REMARK dnoe: 2.627153 position 5.9913 5.169582
ASSI { 1601 }
( attr rmsd >= 5.109582 and attr rmsd <= 5.229582 )
(( attr rmsd >= 5.9513 and attr rmsd <= 6.0313 )
and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
3.0 3.0 0.5999999
peak 1601 ppm1 5.169582 ppm2 5.9913 volume 23100000 weight 1.0
REMARK dnoe: 2.427681 position 5.993082 2.542763
ASSI { 1602 }
( attr rmsd >= 2.482763 and attr rmsd <= 2.602763 )
(( attr rmsd >= 5.953082 and attr rmsd <= 6.033082 )
and bondedto ( attr rmsd >= 51.75267 and attr rmsd <= 53.35267 ))
2.5 2.5 0.2
peak 1602 ppm1 2.542763 ppm2 5.993082 volume 37100000 weight 1.0
REMARK dnoe: 2.930154 position 6.002227 0.7533257
ASSI { 1603 }
( attr rmsd >= 0.6933257 and attr rmsd <= 0.8133257 )
(( attr rmsd >= 5.962227 and attr rmsd <= 6.042227 )
and bondedto ( attr rmsd >= 51.79642 and attr rmsd <= 53.39642 ))
3.0 3.0 0.5999999
peak 1603 ppm1 0.7533257 ppm2 6.002227 volume 12000000 weight 1.0
REMARK dnoe: 3.364074 position 4.795038 1.500096
ASSI { 1604 }
( attr rmsd >= 1.440096 and attr rmsd <= 1.560096 )
(( attr rmsd >= 4.755038 and attr rmsd <= 4.835038 )
and bondedto ( attr rmsd >= 50.62046 and attr rmsd <= 52.22046 ))
3.6 3.6 1.4
peak 1604 ppm1 1.500096 ppm2 4.795038 volume 5240000 weight 1.0
REMARK dnoe: 3.875961 position 1.531813 8.65415
ASSI { 1605 }
( attr rmsd >= 8.59415 and attr rmsd <= 8.71415 )
(( attr rmsd >= 1.491813 and attr rmsd <= 1.571813 )
and bondedto ( attr rmsd >= 23.94424 and attr rmsd <= 25.54424 ))
4.2 4.2 1.8
peak 1605 ppm1 8.65415 ppm2 1.531813 volume 2240000 weight 1.0
REMARK dnoe: 3.788191 position 1.440222 8.656212
ASSI { 1606 }
( attr rmsd >= 8.596211 and attr rmsd <= 8.716212 )
(( attr rmsd >= 1.400222 and attr rmsd <= 1.480222 )
and bondedto ( attr rmsd >= 23.98842 and attr rmsd <= 25.58842 ))
4.2 4.2 1.8
peak 1606 ppm1 8.656212 ppm2 1.440222 volume 2570000 weight 1.0
REMARK dnoe: 3.712681 position 1.29946 4.250288
ASSI { 1607 }
( attr rmsd >= 4.190288 and attr rmsd <= 4.310288 )
(( attr rmsd >= 1.25946 and attr rmsd <= 1.33946 )
and bondedto ( attr rmsd >= 24.22707 and attr rmsd <= 25.82707 ))
4.2 4.2 1.8
peak 1607 ppm1 4.250288 ppm2 1.29946 volume 2900000 weight 1.0
REMARK dnoe: 2.748961 position 1.438088 4.729753
ASSI { 1608 }
( attr rmsd >= 4.669753 and attr rmsd <= 4.789753 )
(( attr rmsd >= 1.398088 and attr rmsd <= 1.478088 )
and bondedto ( attr rmsd >= 24.10348 and attr rmsd <= 25.70348 ))
3.0 3.0 0.5999999
peak 1608 ppm1 4.729753 ppm2 1.438088 volume 17600000 weight 1.0
REMARK dnoe: 2.849088 position 1.53118 4.734179
ASSI { 1609 }
( attr rmsd >= 4.674179 and attr rmsd <= 4.794179 )
(( attr rmsd >= 1.49118 and attr rmsd <= 1.57118 )
and bondedto ( attr rmsd >= 24.05973 and attr rmsd <= 25.65973 ))
3.0 3.0 0.5999999
peak 1609 ppm1 4.734179 ppm2 1.53118 volume 14200000 weight 1.0
REMARK dnoe: 2.415888 position 1.44041 1.820484
ASSI { 1610 }
( attr rmsd >= 1.760484 and attr rmsd <= 1.880484 )
(( attr rmsd >= 1.40041 and attr rmsd <= 1.48041 )
and bondedto ( attr rmsd >= 24.12535 and attr rmsd <= 25.72535 ))
2.5 2.5 0.2
peak 1610 ppm1 1.820484 ppm2 1.44041 volume 38200000 weight 1.0
REMARK dnoe: 2.964042 position 0.7622483 9.875658
ASSI { 1611 }
( attr rmsd >= 9.815658 and attr rmsd <= 9.935658 )
(( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )
and bondedto ( attr rmsd >= 23.51287 and attr rmsd <= 25.11287 ))
3.0 3.0 0.5999999
peak 1611 ppm1 9.875658 ppm2 0.7622483 volume 11200000 weight 1.0
REMARK dnoe: 3.010607 position 0.7604892 9.203196
ASSI { 1612 }
( attr rmsd >= 9.143195 and attr rmsd <= 9.263196 )
(( attr rmsd >= 0.7204892 and attr rmsd <= 0.8004892 )
and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
3.6 3.6 1.4
peak 1612 ppm1 9.203196 ppm2 0.7604892 volume 10200000 weight 1.0
REMARK dnoe: 3.092673 position 0.7622483 6.679599
ASSI { 1613 }
( attr rmsd >= 6.619599 and attr rmsd <= 6.739599 )
(( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )
and bondedto ( attr rmsd >= 23.64106 and attr rmsd <= 25.24106 ))
3.6 3.6 1.4
peak 1613 ppm1 6.679599 ppm2 0.7622483 volume 8680000 weight 1.0
REMARK dnoe: 2.721325 position 0.7622483 6.849933
ASSI { 1614 }
( attr rmsd >= 6.789933 and attr rmsd <= 6.909933 )
(( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )
and bondedto ( attr rmsd >= 23.62968 and attr rmsd <= 25.22968 ))
3.0 3.0 0.5999999
peak 1614 ppm1 6.849933 ppm2 0.7622483 volume 18700000 weight 1.0
REMARK dnoe: 2.556579 position 0.7592463 5.396672
ASSI { 1615 }
( attr rmsd >= 5.336672 and attr rmsd <= 5.456672 )
(( attr rmsd >= 0.7192463 and attr rmsd <= 0.7992463 )
and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
3.0 3.0 0.5999999
peak 1615 ppm1 5.396672 ppm2 0.7592463 volume 27200002 weight 1.0
REMARK dnoe: 2.691012 position 0.7546034 2.693892
ASSI { 1616 }
( attr rmsd >= 2.633892 and attr rmsd <= 2.753892 )
(( attr rmsd >= 0.7146034 and attr rmsd <= 0.7946034 )
and bondedto ( attr rmsd >= 23.55662 and attr rmsd <= 25.15662 ))
3.0 3.0 0.5999999
peak 1616 ppm1 2.693892 ppm2 0.7546034 volume 20000000 weight 1.0
REMARK dnoe: 2.842455 position 0.7636077 0.26443
ASSI { 1617 }
( attr rmsd >= 0.20443 and attr rmsd <= 0.32443 )
(( attr rmsd >= 0.7236077 and attr rmsd <= 0.8036077 )
and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
3.0 3.0 0.5999999
peak 1617 ppm1 0.26443 ppm2 0.7636077 volume 14399999 weight 1.0
REMARK dnoe: 2.125361 position 0.7617323 0.9060223
ASSI { 1618 }
( attr rmsd >= 0.8460223 and attr rmsd <= 0.9660223 )
(( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )
and bondedto ( attr rmsd >= 23.60037 and attr rmsd <= 25.20037 ))
2.5 2.5 0.2
peak 1618 ppm1 0.9060223 ppm2 0.7617323 volume 82400000 weight 1.0
REMARK dnoe: 2.630963 position 0.7636077 1.09786
ASSI { 1620 }
( attr rmsd >= 1.204112 and attr rmsd <= 1.324112 )
(( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )
and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
2.5 2.5 0.2
peak 1620 ppm1 1.264112 ppm2 0.7617323 volume 31300000 weight 1.0
REMARK dnoe: 2.403466 position 0.7617323 1.44742
ASSI { 1621 }
( attr rmsd >= 1.38742 and attr rmsd <= 1.50742 )
(( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )
and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
2.5 2.5 0.2
peak 1621 ppm1 1.44742 ppm2 0.7617323 volume 39400000 weight 1.0
REMARK dnoe: 2.914185 position 0.7617323 1.826842
ASSI { 1622 }
( attr rmsd >= 1.766842 and attr rmsd <= 1.886842 )
(( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )
and bondedto ( attr rmsd >= 23.68787 and attr rmsd <= 25.28787 ))
3.0 3.0 0.5999999
peak 1622 ppm1 1.826842 ppm2 0.7617323 volume 12400000 weight 1.0
REMARK dnoe: 2.859246 position 0.7617323 2.029335
ASSI { 1623 }
( attr rmsd >= 1.969335 and attr rmsd <= 2.089335 )
(( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )
and bondedto ( attr rmsd >= 23.60037 and attr rmsd <= 25.20037 ))
3.0 3.0 0.5999999
peak 1623 ppm1 2.029335 ppm2 0.7617323 volume 13900000 weight 1.0
REMARK dnoe: 2.795897 position 0.7617323 1.57812
ASSI { 1626 }
( attr rmsd >= 9.046567 and attr rmsd <= 9.166568 )
(( attr rmsd >= 0.7208414 and attr rmsd <= 0.8008415 )
and bondedto ( attr rmsd >= 23.39453 and attr rmsd <= 24.99453 ))
3.6 3.6 1.4
peak 1626 ppm1 9.106567 ppm2 0.7608414 volume 10100000 weight 1.0
REMARK dnoe: 3.317225 position 1.093626 8.606846
ASSI { 1627 }
( attr rmsd >= 8.546845 and attr rmsd <= 8.666846 )
(( attr rmsd >= 1.053626 and attr rmsd <= 1.133626 )
and bondedto ( attr rmsd >= 23.18476 and attr rmsd <= 24.78476 ))
3.6 3.6 1.4
peak 1627 ppm1 8.606846 ppm2 1.093626 volume 5700000 weight 1.0
REMARK dnoe: 3.383729 position 1.102513 7.697068
ASSI { 1628 }
( attr rmsd >= 7.637068 and attr rmsd <= 7.757068 )
(( attr rmsd >= 1.062513 and attr rmsd <= 1.142513 )
and bondedto ( attr rmsd >= 23.25038 and attr rmsd <= 24.85038 ))
3.6 3.6 1.4
peak 1628 ppm1 7.697068 ppm2 1.102513 volume 5060000 weight 1.0
REMARK dnoe: 2.640661 position 0.9494162 6.701898
ASSI { 1629 }
( attr rmsd >= 6.641898 and attr rmsd <= 6.761898 )
(( attr rmsd >= 0.9094162 and attr rmsd <= 0.9894162 )
and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
3.0 3.0 0.5999999
peak 1629 ppm1 6.701898 ppm2 0.9494162 volume 22400000 weight 1.0
REMARK dnoe: 2.530877 position 0.9472122 5.421377
ASSI { 1630 }
( attr rmsd >= 5.361377 and attr rmsd <= 5.481377 )
(( attr rmsd >= 0.9072122 and attr rmsd <= 0.9872122 )
and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
3.0 3.0 0.5999999
peak 1630 ppm1 5.421377 ppm2 0.9472122 volume 28900000 weight 1.0
REMARK dnoe: 2.866161 position 1.091117 4.422555
ASSI { 1631 }
( attr rmsd >= 4.362555 and attr rmsd <= 4.482555 )
(( attr rmsd >= 1.051117 and attr rmsd <= 1.131117 )
and bondedto ( attr rmsd >= 23.23288 and attr rmsd <= 24.83288 ))
3.0 3.0 0.5999999
peak 1631 ppm1 4.422555 ppm2 1.091117 volume 13699999 weight 1.0
REMARK dnoe: 2.504161 position 1.162097 4.318495
ASSI { 1632 }
( attr rmsd >= 4.258495 and attr rmsd <= 4.378495 )
(( attr rmsd >= 1.122097 and attr rmsd <= 1.202097 )
and bondedto ( attr rmsd >= 22.74727 and attr rmsd <= 24.34727 ))
3.0 3.0 0.5999999
peak 1632 ppm1 4.318495 ppm2 1.162097 volume 30800000 weight 1.0
REMARK dnoe: 3.64659 position 1.093321 3.587493
ASSI { 1633 }
( attr rmsd >= 3.527493 and attr rmsd <= 3.647493 )
(( attr rmsd >= 1.053321 and attr rmsd <= 1.133321 )
and bondedto ( attr rmsd >= 23.27860 and attr rmsd <= 24.87860 ))
4.2 4.2 1.8
peak 1633 ppm1 3.587493 ppm2 1.093321 volume 0.323e+07 weight 1.0
REMARK dnoe: 2.798838 position 1.091117 2.748328
ASSI { 1634 }
( attr rmsd >= 2.688328 and attr rmsd <= 2.808328 )
(( attr rmsd >= 1.051117 and attr rmsd <= 1.131117 )
and bondedto ( attr rmsd >= 23.25388 and attr rmsd <= 24.85388 ))
3.0 3.0 0.5999999
peak 1634 ppm1 2.748328 ppm2 1.091117 volume 15800001 weight 1.0
REMARK dnoe: 2.447888 position 1.089523 1.713952
ASSI { 1635 }
( attr rmsd >= 1.653952 and attr rmsd <= 1.773952 )
(( attr rmsd >= 1.049523 and attr rmsd <= 1.129523 )
and bondedto ( attr rmsd >= 23.25104 and attr rmsd <= 24.85104 ))
2.5 2.5 0.2
peak 1635 ppm1 1.713952 ppm2 1.089523 volume 35300000 weight 1.0
REMARK dnoe: 2.220854 position 1.089312 1.477195
ASSI { 1636 }
( attr rmsd >= 1.417195 and attr rmsd <= 1.537195 )
(( attr rmsd >= 1.049312 and attr rmsd <= 1.129312 )
and bondedto ( attr rmsd >= 23.25979 and attr rmsd <= 24.85979 ))
2.5 2.5 0.2
peak 1636 ppm1 1.477195 ppm2 1.089312 volume 63300000 weight 1.0
REMARK dnoe: 2.883976 position 1.089452 0.7476974
ASSI { 1637 }
( attr rmsd >= 0.6876974 and attr rmsd <= 0.8076974 )
(( attr rmsd >= 1.049452 and attr rmsd <= 1.129452 )
and bondedto ( attr rmsd >= 23.25563 and attr rmsd <= 24.85563 ))
3.0 3.0 0.5999999
peak 1637 ppm1 0.7476974 ppm2 1.089452 volume 13200000 weight 1.0
REMARK dnoe: 2.91812 position 1.09182 0.6192327
ASSI { 1639 }
( attr rmsd >= 0.4746136 and attr rmsd <= 0.5946136 )
(( attr rmsd >= 0.9069073 and attr rmsd <= 0.9869073 )
and bondedto ( attr rmsd >= 22.74727 and attr rmsd <= 24.34727 ))
2.5 2.5 0.2
peak 1639 ppm1 0.5346136 ppm2 0.9469073 volume 49400000 weight 1.0
REMARK dnoe: 2.693261 position 0.9438353 9.331638
ASSI { 1640 }
( attr rmsd >= 9.271638 and attr rmsd <= 9.391639 )
(( attr rmsd >= 0.9038353 and attr rmsd <= 0.9838353 )
and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
3.0 3.0 0.5999999
peak 1640 ppm1 9.331638 ppm2 0.9438353 volume 19900000 weight 1.0
REMARK dnoe: 2.880351 position 0.9353004 9.184334
ASSI { 1641 }
( attr rmsd >= 9.124333 and attr rmsd <= 9.244334 )
(( attr rmsd >= 0.8953004 and attr rmsd <= 0.9753004 )
and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
3.0 3.0 0.5999999
peak 1641 ppm1 9.184334 ppm2 0.9353004 volume 13300000 weight 1.0
REMARK dnoe: 2.866161 position 0.9440935 6.855174
ASSI { 1642 }
( attr rmsd >= 6.795174 and attr rmsd <= 6.915174 )
(( attr rmsd >= 0.9040935 and attr rmsd <= 0.9840935 )
and bondedto ( attr rmsd >= 22.83477 and attr rmsd <= 24.43477 ))
3.0 3.0 0.5999999
peak 1642 ppm1 6.855174 ppm2 0.9440935 volume 13699999 weight 1.0
REMARK dnoe: 3.180324 position 0.9476106 7.171137
ASSI { 1643 }
( attr rmsd >= 7.111137 and attr rmsd <= 7.231137 )
(( attr rmsd >= 0.9076106 and attr rmsd <= 0.9876106 )
and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
3.6 3.6 1.4
peak 1643 ppm1 7.171137 ppm2 0.9476106 volume 7340001 weight 1.0
REMARK dnoe: 2.852446 position 0.6452618 4.069149
ASSI { 1644 }
( attr rmsd >= 4.009149 and attr rmsd <= 4.129149 )
(( attr rmsd >= 0.6052618 and attr rmsd <= 0.6852618 )
and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
3.0 3.0 0.5999999
peak 1644 ppm1 4.069149 ppm2 0.6452618 volume 14100000 weight 1.0
REMARK dnoe: 2.716504 position 0.2881141 0.7728319
ASSI { 1645 }
( attr rmsd >= 0.7128319 and attr rmsd <= 0.8328319 )
(( attr rmsd >= 0.2481141 and attr rmsd <= 0.3281141 )
and bondedto ( attr rmsd >= 22.87852 and attr rmsd <= 24.47852 ))
3.0 3.0 0.5999999
peak 1645 ppm1 0.7728319 ppm2 0.2881141 volume 18900000 weight 1.0
REMARK dnoe: 3.105323 position 0.2709727 1.915499
ASSI { 1646 }
( attr rmsd >= 1.855499 and attr rmsd <= 1.975499 )
(( attr rmsd >= 0.2309727 and attr rmsd <= 0.3109727 )
and bondedto ( attr rmsd >= 22.98789 and attr rmsd <= 24.58789 ))
3.6 3.6 1.4
peak 1646 ppm1 1.915499 ppm2 0.2709727 volume 8470000 weight 1.0
REMARK dnoe: 2.525085 position 0.6443949 1.109653
ASSI { 1647 }
( attr rmsd >= 1.049653 and attr rmsd <= 1.169653 )
(( attr rmsd >= 0.6043949 and attr rmsd <= 0.6843949 )
and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
3.0 3.0 0.5999999
peak 1647 ppm1 1.109653 ppm2 0.6443949 volume 29300002 weight 1.0
REMARK dnoe: 2.509622 position 0.6462936 1.42944
ASSI { 1648 }
( attr rmsd >= 1.36944 and attr rmsd <= 1.48944 )
(( attr rmsd >= 0.6062936 and attr rmsd <= 0.6862936 )
and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
3.0 3.0 0.5999999
peak 1648 ppm1 1.42944 ppm2 0.6462936 volume 30400000 weight 1.0
REMARK dnoe: 2.58592 position 0.7682278 0.2718415
ASSI { 1649 }
( attr rmsd >= 0.2118415 and attr rmsd <= 0.3318415 )
(( attr rmsd >= 0.7282278 and attr rmsd <= 0.8082278 )
and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
3.0 3.0 0.5999999
peak 1649 ppm1 0.2718415 ppm2 0.7682278 volume 25400000 weight 1.0
REMARK dnoe: 2.516569 position 0.7815702 1.906971
ASSI { 1650 }
( attr rmsd >= 1.846971 and attr rmsd <= 1.966971 )
(( attr rmsd >= 0.7415702 and attr rmsd <= 0.8215702 )
and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
3.0 3.0 0.5999999
peak 1650 ppm1 1.906971 ppm2 0.7815702 volume 29900000 weight 1.0
REMARK dnoe: 2.667106 position 0.9454067 1.397453
ASSI { 1652 }
( attr rmsd >= 1.733974 and attr rmsd <= 1.853974 )
(( attr rmsd >= 0.8977856 and attr rmsd <= 0.9777856 )
and bondedto ( attr rmsd >= 22.90039 and attr rmsd <= 24.50039 ))
2.5 2.5 0.2
peak 1652 ppm1 1.793974 ppm2 0.9377856 volume 39100000 weight 1.0
REMARK dnoe: 3.976831 position 0.6414871 7.4932
ASSI { 1653 }
( attr rmsd >= 7.4332 and attr rmsd <= 7.5532 )
(( attr rmsd >= 0.6014871 and attr rmsd <= 0.6814871 )
and bondedto ( attr rmsd >= 22.85948 and attr rmsd <= 24.45948 ))
4.2 4.2 1.8
peak 1653 ppm1 7.4932 ppm2 0.6414871 volume 1920000 weight 1.0
REMARK dnoe: 3.271062 position 0.6451445 6.939385
ASSI { 1654 }
( attr rmsd >= 6.879385 and attr rmsd <= 6.999385 )
(( attr rmsd >= 0.6051445 and attr rmsd <= 0.6851445 )
and bondedto ( attr rmsd >= 22.87086 and attr rmsd <= 24.47086 ))
3.6 3.6 1.4
peak 1654 ppm1 6.939385 ppm2 0.6451445 volume 6200000 weight 1.0
REMARK dnoe: 3.095653 position 0.6433153 6.716914
ASSI { 1655 }
( attr rmsd >= 6.656914 and attr rmsd <= 6.776914 )
(( attr rmsd >= 0.6033153 and attr rmsd <= 0.6833153 )
and bondedto ( attr rmsd >= 22.84833 and attr rmsd <= 24.44833 ))
3.6 3.6 1.4
peak 1655 ppm1 6.716914 ppm2 0.6433153 volume 8630000 weight 1.0
REMARK dnoe: 2.859246 position 1.154475 4.491406
ASSI { 1656 }
( attr rmsd >= 4.431406 and attr rmsd <= 4.551406 )
(( attr rmsd >= 1.114475 and attr rmsd <= 1.194475 )
and bondedto ( attr rmsd >= 22.69018 and attr rmsd <= 24.29018 ))
3.0 3.0 0.5999999
peak 1656 ppm1 4.491406 ppm2 1.154475 volume 13900000 weight 1.0
REMARK dnoe: 3.23066 position 0.6429172 3.786527
ASSI { 1657 }
( attr rmsd >= 3.726527 and attr rmsd <= 3.846527 )
(( attr rmsd >= 0.6029172 and attr rmsd <= 0.6829172 )
and bondedto ( attr rmsd >= 22.78052 and attr rmsd <= 24.38052 ))
3.6 3.6 1.4
peak 1657 ppm1 3.786527 ppm2 0.6429172 volume 6680000 weight 1.0
REMARK dnoe: 3.480829 position 0.9454532 3.011444
ASSI { 1658 }
( attr rmsd >= 2.951444 and attr rmsd <= 3.071444 )
(( attr rmsd >= 0.9054532 and attr rmsd <= 0.9854532 )
and bondedto ( attr rmsd >= 22.85883 and attr rmsd <= 24.45883 ))
3.6 3.6 1.4
peak 1658 ppm1 3.011444 ppm2 0.9454532 volume 4270000 weight 1.0
REMARK dnoe: 2.866161 position 0.942827 1.559881
ASSI { 1660 }
( attr rmsd >= 0.1794462 and attr rmsd <= 0.2994462 )
(( attr rmsd >= 0.9041872 and attr rmsd <= 0.9841872 )
and bondedto ( attr rmsd >= 22.82580 and attr rmsd <= 24.42580 ))
3.6 3.6 1.4
peak 1660 ppm1 0.2394462 ppm2 0.9441872 volume 7690000 weight 1.0
REMARK dnoe: 3.691763 position 0.9462504 -0.0280094
ASSI { 1661 }
( attr rmsd >= -0.0880094 and attr rmsd <= 0.0319906 )
(( attr rmsd >= 0.9062504 and attr rmsd <= 0.9862504 )
and bondedto ( attr rmsd >= 22.92205 and attr rmsd <= 24.52205 ))
4.2 4.2 1.8
peak 1661 ppm1 -0.0280094 ppm2 0.9462504 volume 3000000 weight 1.0
REMARK dnoe: 3.193512 position 0.6425185 1.78435
ASSI { 1662 }
( attr rmsd >= 1.72435 and attr rmsd <= 1.84435 )
(( attr rmsd >= 0.6025185 and attr rmsd <= 0.6825185 )
and bondedto ( attr rmsd >= 22.75799 and attr rmsd <= 24.35799 ))
3.6 3.6 1.4
peak 1662 ppm1 1.78435 ppm2 0.6425185 volume 7160000 weight 1.0
REMARK dnoe: 3.500223 position 0.6422606 1.997369
ASSI { 1663 }
( attr rmsd >= 1.937369 and attr rmsd <= 2.057369 )
(( attr rmsd >= 0.6022606 and attr rmsd <= 0.6822606 )
and bondedto ( attr rmsd >= 22.82186 and attr rmsd <= 24.42186 ))
3.6 3.6 1.4
peak 1663 ppm1 1.997369 ppm2 0.6422606 volume 4130000 weight 1.0
REMARK dnoe: 3.197244 position 0.9432492 1.995629
ASSI { 1664 }
( attr rmsd >= 1.935629 and attr rmsd <= 2.055629 )
(( attr rmsd >= 0.9032492 and attr rmsd <= 0.9832492 )
and bondedto ( attr rmsd >= 22.80305 and attr rmsd <= 24.40305 ))
3.6 3.6 1.4
peak 1664 ppm1 1.995629 ppm2 0.9432492 volume 7110001 weight 1.0
REMARK dnoe: 3.444177 position 0.2866602 1.245186
ASSI { 1665 }
( attr rmsd >= 1.185186 and attr rmsd <= 1.305186 )
(( attr rmsd >= 0.2466602 and attr rmsd <= 0.3266602 )
and bondedto ( attr rmsd >= 22.93867 and attr rmsd <= 24.53867 ))
3.6 3.6 1.4
peak 1665 ppm1 1.245186 ppm2 0.2866602 volume 4550000 weight 1.0
REMARK dnoe: 3.314324 position 0.2804928 1.39408
ASSI { 1666 }
( attr rmsd >= 1.33408 and attr rmsd <= 1.45408 )
(( attr rmsd >= 0.2404928 and attr rmsd <= 0.3204928 )
and bondedto ( attr rmsd >= 22.90870 and attr rmsd <= 24.50870 ))
3.6 3.6 1.4
peak 1666 ppm1 1.39408 ppm2 0.2804928 volume 5730000 weight 1.0
REMARK dnoe: 2.862689 position 1.156492 1.577497
ASSI { 1667 }
( attr rmsd >= 1.517497 and attr rmsd <= 1.637497 )
(( attr rmsd >= 1.116492 and attr rmsd <= 1.196492 )
and bondedto ( attr rmsd >= 22.59984 and attr rmsd <= 24.19984 ))
3.0 3.0 0.5999999
peak 1667 ppm1 1.577497 ppm2 1.156492 volume 13800000 weight 1.0
REMARK dnoe: 2.991367 position 1.144768 9.446848
ASSI { 1668 }
( attr rmsd >= 9.386847 and attr rmsd <= 9.506848 )
(( attr rmsd >= 1.104768 and attr rmsd <= 1.184768 )
and bondedto ( attr rmsd >= 22.51103 and attr rmsd <= 24.11103 ))
3.0 3.0 0.5999999
peak 1668 ppm1 9.446848 ppm2 1.144768 volume 10600000 weight 1.0
REMARK dnoe: 3.169619 position 1.141485 8.672753
ASSI { 1669 }
( attr rmsd >= 8.612753 and attr rmsd <= 8.732754 )
(( attr rmsd >= 1.101485 and attr rmsd <= 1.181485 )
and bondedto ( attr rmsd >= 22.51890 and attr rmsd <= 24.11890 ))
3.6 3.6 1.4
peak 1669 ppm1 8.672753 ppm2 1.141485 volume 7490000 weight 1.0
REMARK dnoe: 3.249581 position 1.144018 6.890491
ASSI { 1670 }
( attr rmsd >= 6.830491 and attr rmsd <= 6.950491 )
(( attr rmsd >= 1.104018 and attr rmsd <= 1.184018 )
and bondedto ( attr rmsd >= 22.59984 and attr rmsd <= 24.19984 ))
3.6 3.6 1.4
peak 1670 ppm1 6.890491 ppm2 1.144018 volume 6450000 weight 1.0
REMARK dnoe: 3.593009 position 1.144018 6.573541
ASSI { 1671 }
( attr rmsd >= 6.513541 and attr rmsd <= 6.633541 )
(( attr rmsd >= 1.104018 and attr rmsd <= 1.184018 )
and bondedto ( attr rmsd >= 22.64512 and attr rmsd <= 24.24512 ))
3.6 3.6 1.4
peak 1671 ppm1 6.573541 ppm2 1.144018 volume 0.353e+07 weight 1.0
REMARK dnoe: 3.936851 position 1.151592 5.001977
ASSI { 1672 }
( attr rmsd >= 4.941977 and attr rmsd <= 5.061977 )
(( attr rmsd >= 1.111592 and attr rmsd <= 1.191592 )
and bondedto ( attr rmsd >= 22.66765 and attr rmsd <= 24.26765 ))
4.2 4.2 1.8
peak 1672 ppm1 5.001977 ppm2 1.151592 volume 2040000 weight 1.0
REMARK dnoe: 2.866161 position 1.145565 0.4032059
ASSI { 1673 }
( attr rmsd >= 0.3432059 and attr rmsd <= 0.4632059 )
(( attr rmsd >= 1.105565 and attr rmsd <= 1.185565 )
and bondedto ( attr rmsd >= 22.50534 and attr rmsd <= 24.10534 ))
3.0 3.0 0.5999999
peak 1673 ppm1 0.4032059 ppm2 1.145565 volume 13699999 weight 1.0
REMARK dnoe: 3.400743 position 1.144346 -0.1759362
ASSI { 1674 }
( attr rmsd >= -0.2359362 and attr rmsd <= -0.1159362 )
(( attr rmsd >= 1.104346 and attr rmsd <= 1.184346 )
and bondedto ( attr rmsd >= 22.48565 and attr rmsd <= 24.08565 ))
3.6 3.6 1.4
peak 1674 ppm1 -0.1759362 ppm2 1.144346 volume 4910000 weight 1.0
REMARK dnoe: 2.575877 position 3.930646 4.766337
ASSI { 1675 }
( attr rmsd >= 4.706337 and attr rmsd <= 4.826337 )
(( attr rmsd >= 3.890646 and attr rmsd <= 3.970646 )
and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
3.0 3.0 0.5999999
peak 1675 ppm1 4.766337 ppm2 3.930646 volume 26000000 weight 1.0
REMARK dnoe: 2.58762 position 3.692688 4.766337
ASSI { 1676 }
( attr rmsd >= 4.706337 and attr rmsd <= 4.826337 )
(( attr rmsd >= 3.652688 and attr rmsd <= 3.732688 )
and bondedto ( attr rmsd >= 50.44809 and attr rmsd <= 52.04809 ))
3.0 3.0 0.5999999
peak 1676 ppm1 4.766337 ppm2 3.692688 volume 25300000 weight 1.0
REMARK dnoe: 2.709383 position 3.80686 4.592631
ASSI { 1677 }
( attr rmsd >= 4.532631 and attr rmsd <= 4.652631 )
(( attr rmsd >= 3.76686 and attr rmsd <= 3.84686 )
and bondedto ( attr rmsd >= 50.67033 and attr rmsd <= 52.27033 ))
3.0 3.0 0.5999999
peak 1677 ppm1 4.592631 ppm2 3.80686 volume 19200000 weight 1.0
REMARK dnoe: 2.743789 position 3.649917 4.594693
ASSI { 1678 }
( attr rmsd >= 4.534693 and attr rmsd <= 4.654693 )
(( attr rmsd >= 3.609917 and attr rmsd <= 3.689917 )
and bondedto ( attr rmsd >= 50.67165 and attr rmsd <= 52.27165 ))
3.0 3.0 0.5999999
peak 1678 ppm1 4.594693 ppm2 3.649917 volume 17800000 weight 1.0
REMARK dnoe: 2.876757 position 3.811268 4.271813
ASSI { 1679 }
( attr rmsd >= 4.211813 and attr rmsd <= 4.331813 )
(( attr rmsd >= 3.771268 and attr rmsd <= 3.851268 )
and bondedto ( attr rmsd >= 50.66312 and attr rmsd <= 52.26312 ))
3.0 3.0 0.5999999
peak 1679 ppm1 4.271813 ppm2 3.811268 volume 13400000 weight 1.0
REMARK dnoe: 3.056767 position 3.528358 4.271813
ASSI { 1680 }
( attr rmsd >= 4.211813 and attr rmsd <= 4.331813 )
(( attr rmsd >= 3.488358 and attr rmsd <= 3.568358 )
and bondedto ( attr rmsd >= 50.66049 and attr rmsd <= 52.26049 ))
3.6 3.6 1.4
peak 1680 ppm1 4.271813 ppm2 3.528358 volume 9310000 weight 1.0
REMARK dnoe: 3.15029 position 3.810471 4.12264
ASSI { 1681 }
( attr rmsd >= 4.06264 and attr rmsd <= 4.18264 )
(( attr rmsd >= 3.770471 and attr rmsd <= 3.850471 )
and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
3.6 3.6 1.4
peak 1681 ppm1 4.12264 ppm2 3.810471 volume 7770000 weight 1.0
REMARK dnoe: 2.862689 position 3.659039 4.12264
ASSI { 1682 }
( attr rmsd >= 4.06264 and attr rmsd <= 4.18264 )
(( attr rmsd >= 3.619039 and attr rmsd <= 3.699039 )
and bondedto ( attr rmsd >= 50.44809 and attr rmsd <= 52.04809 ))
3.0 3.0 0.5999999
peak 1682 ppm1 4.12264 ppm2 3.659039 volume 13800000 weight 1.0
REMARK dnoe: 2.197202 position 3.692688 3.928526
ASSI { 1684 }
( attr rmsd >= 3.868526 and attr rmsd <= 3.988526 )
(( attr rmsd >= 3.652688 and attr rmsd <= 3.732688 )
and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
2.5 2.5 0.2
peak 1684 ppm1 3.928526 ppm2 3.692688 volume 67500000 weight 1.0
REMARK dnoe: 2.688776 position 3.534033 3.801823
ASSI { 1685 }
( attr rmsd >= 3.741823 and attr rmsd <= 3.861823 )
(( attr rmsd >= 3.494033 and attr rmsd <= 3.574033 )
and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
3.0 3.0 0.5999999
peak 1685 ppm1 3.801823 ppm2 3.534033 volume 20100000 weight 1.0
REMARK dnoe: 2.125792 position 3.651817 3.799782
ASSI { 1686 }
( attr rmsd >= 3.739782 and attr rmsd <= 3.859782 )
(( attr rmsd >= 3.611817 and attr rmsd <= 3.691817 )
and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
2.5 2.5 0.2
peak 1686 ppm1 3.799782 ppm2 3.651817 volume 82300000 weight 1.0
REMARK dnoe: 2.059603 position 3.800857 3.648567
ASSI { 1687 }
( attr rmsd >= 3.588567 and attr rmsd <= 3.708567 )
(( attr rmsd >= 3.760857 and attr rmsd <= 3.840857 )
and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
2.5 2.5 0.2
peak 1687 ppm1 3.648567 ppm2 3.800857 volume 99500000 weight 1.0
REMARK dnoe: 2.328911 position 3.930646 3.691489
ASSI { 1688 }
( attr rmsd >= 3.631489 and attr rmsd <= 3.751489 )
(( attr rmsd >= 3.890646 and attr rmsd <= 3.970646 )
and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
2.5 2.5 0.2
peak 1688 ppm1 3.691489 ppm2 3.930646 volume 47600000 weight 1.0
REMARK dnoe: 3.161233 position 3.810307 0.5851831
ASSI { 1689 }
( attr rmsd >= 0.5251831 and attr rmsd <= 0.6451831 )
(( attr rmsd >= 3.770307 and attr rmsd <= 3.850307 )
and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
3.6 3.6 1.4
peak 1689 ppm1 0.5851831 ppm2 3.810307 volume 7610000 weight 1.0
REMARK dnoe: 3.070667 position 3.528241 0.5873961
ASSI { 1690 }
( attr rmsd >= 0.5273961 and attr rmsd <= 0.6473961 )
(( attr rmsd >= 3.488241 and attr rmsd <= 3.568241 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1690 ppm1 0.5873961 ppm2 3.528241 volume 9060000 weight 1.0
REMARK dnoe: 3.21794 position 3.530094 0.7723594
ASSI { 1691 }
( attr rmsd >= 0.7123594 and attr rmsd <= 0.8323594 )
(( attr rmsd >= 3.490094 and attr rmsd <= 3.570094 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1691 ppm1 0.7723594 ppm2 3.530094 volume 6840000 weight 1.0
REMARK dnoe: 3.229051 position 3.810307 0.7701676
ASSI { 1692 }
( attr rmsd >= 0.7101676 and attr rmsd <= 0.8301676 )
(( attr rmsd >= 3.770307 and attr rmsd <= 3.850307 )
and bondedto ( attr rmsd >= 50.51590 and attr rmsd <= 52.11590 ))
3.6 3.6 1.4
peak 1692 ppm1 0.7701676 ppm2 3.810307 volume 6700000 weight 1.0
REMARK dnoe: 3.271062 position 3.806578 1.162156
ASSI { 1693 }
( attr rmsd >= 1.102156 and attr rmsd <= 1.222156 )
(( attr rmsd >= 3.766578 and attr rmsd <= 3.846578 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1693 ppm1 1.162156 ppm2 3.806578 volume 6200000 weight 1.0
REMARK dnoe: 3.129816 position 3.650715 1.17756
ASSI { 1694 }
( attr rmsd >= 1.11756 and attr rmsd <= 1.23756 )
(( attr rmsd >= 3.610715 and attr rmsd <= 3.690715 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1694 ppm1 1.17756 ppm2 3.650715 volume 8080001 weight 1.0
REMARK dnoe: 2.942544 position 3.530094 2.003384
ASSI { 1695 }
( attr rmsd >= 1.943384 and attr rmsd <= 2.063384 )
(( attr rmsd >= 3.490094 and attr rmsd <= 3.570094 )
and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
3.0 3.0 0.5999999
peak 1695 ppm1 2.003384 ppm2 3.530094 volume 11700000 weight 1.0
REMARK dnoe: 2.991367 position 3.669262 2.208176
ASSI { 1696 }
( attr rmsd >= 2.148176 and attr rmsd <= 2.268176 )
(( attr rmsd >= 3.629262 and attr rmsd <= 3.709262 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.0 3.0 0.5999999
peak 1696 ppm1 2.208176 ppm2 3.669262 volume 10600000 weight 1.0
REMARK dnoe: 3.314324 position 3.806578 2.245619
ASSI { 1697 }
( attr rmsd >= 2.185619 and attr rmsd <= 2.305619 )
(( attr rmsd >= 3.766578 and attr rmsd <= 3.846578 )
and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
3.6 3.6 1.4
peak 1697 ppm1 2.245619 ppm2 3.806578 volume 5730000 weight 1.0
REMARK dnoe: 3.406549 position 3.929051 2.210388
ASSI { 1698 }
( attr rmsd >= 2.150388 and attr rmsd <= 2.270388 )
(( attr rmsd >= 3.889051 and attr rmsd <= 3.969051 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1698 ppm1 2.210388 ppm2 3.929051 volume 4860000 weight 1.0
REMARK dnoe: 2.938374 position 3.929051 2.058444
ASSI { 1699 }
( attr rmsd >= 1.998444 and attr rmsd <= 2.118444 )
(( attr rmsd >= 3.889051 and attr rmsd <= 3.969051 )
and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
3.0 3.0 0.5999999
peak 1699 ppm1 2.058444 ppm2 3.929051 volume 11800000 weight 1.0
REMARK dnoe: 2.648603 position 3.925346 1.924093
ASSI { 1700 }
( attr rmsd >= 1.864093 and attr rmsd <= 1.984093 )
(( attr rmsd >= 3.885346 and attr rmsd <= 3.965346 )
and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
3.0 3.0 0.5999999
peak 1700 ppm1 1.924093 ppm2 3.925346 volume 22000000 weight 1.0
REMARK dnoe: 2.697799 position 3.79544 1.974748
ASSI { 1701 }
( attr rmsd >= 1.914748 and attr rmsd <= 2.034748 )
(( attr rmsd >= 3.75544 and attr rmsd <= 3.83544 )
and bondedto ( attr rmsd >= 50.49315 and attr rmsd <= 52.09315 ))
3.0 3.0 0.5999999
peak 1701 ppm1 1.974748 ppm2 3.79544 volume 19700000 weight 1.0
REMARK dnoe: 2.671343 position 3.799169 1.888862
ASSI { 1702 }
( attr rmsd >= 1.828862 and attr rmsd <= 1.948862 )
(( attr rmsd >= 3.759169 and attr rmsd <= 3.839169 )
and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
3.0 3.0 0.5999999
peak 1702 ppm1 1.888862 ppm2 3.799169 volume 20900000 weight 1.0
REMARK dnoe: 2.409621 position 3.665558 1.919689
ASSI { 1703 }
( attr rmsd >= 1.859689 and attr rmsd <= 1.979689 )
(( attr rmsd >= 3.625558 and attr rmsd <= 3.705558 )
and bondedto ( attr rmsd >= 50.49315 and attr rmsd <= 52.09315 ))
2.5 2.5 0.2
peak 1703 ppm1 1.919689 ppm2 3.665558 volume 38800000 weight 1.0
REMARK dnoe: 3.025623 position 3.691539 1.690665
ASSI { 1704 }
( attr rmsd >= 1.630665 and attr rmsd <= 1.750665 )
(( attr rmsd >= 3.651539 and attr rmsd <= 3.731539 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1704 ppm1 1.690665 ppm2 3.691539 volume 9900000 weight 1.0
REMARK dnoe: 3.281734 position 3.927199 1.681858
ASSI { 1705 }
( attr rmsd >= 1.621858 and attr rmsd <= 1.741858 )
(( attr rmsd >= 3.887199 and attr rmsd <= 3.967199 )
and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
3.6 3.6 1.4
peak 1705 ppm1 1.681858 ppm2 3.927199 volume 6080000 weight 1.0
REMARK dnoe: 3.206327 position 3.819569 1.675263
ASSI { 1706 }
( attr rmsd >= 1.615263 and attr rmsd <= 1.735263 )
(( attr rmsd >= 3.779569 and attr rmsd <= 3.859569 )
and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
3.6 3.6 1.4
peak 1706 ppm1 1.675263 ppm2 3.819569 volume 6990000 weight 1.0
REMARK dnoe: 2.930154 position 7.350109 9.852543
ASSI { 1707 }
( attr rmsd >= 9.792542 and attr rmsd <= 9.912543 )
(( attr rmsd >= 7.310109 and attr rmsd <= 7.390109 )
and bondedto ( attr rmsd >= 114.0595 and attr rmsd <= 115.6595 ))
3.0 3.0 0.5999999
peak 1707 ppm1 9.852543 ppm2 7.350109 volume 12000000 weight 1.0
REMARK dnoe: 3.049711 position 7.308769 10.00756
ASSI { 1708 }
( attr rmsd >= 9.947559 and attr rmsd <= 10.06756 )
(( attr rmsd >= 7.268769 and attr rmsd <= 7.348769 )
and bondedto ( attr rmsd >= 113.8086 and attr rmsd <= 115.4086 ))
3.6 3.6 1.4
peak 1708 ppm1 10.00756 ppm2 7.308769 volume 9440000 weight 1.0
REMARK dnoe: 2.212772 position 7.350391 7.022092
ASSI { 1709 }
( attr rmsd >= 6.962092 and attr rmsd <= 7.082092 )
(( attr rmsd >= 7.310391 and attr rmsd <= 7.390391 )
and bondedto ( attr rmsd >= 113.8716 and attr rmsd <= 115.4716 ))
2.5 2.5 0.2
peak 1709 ppm1 7.022092 ppm2 7.350391 volume 64700000 weight 1.0
REMARK dnoe: 2.209934 position 7.309895 6.956077
ASSI { 1710 }
( attr rmsd >= 6.896077 and attr rmsd <= 7.016077 )
(( attr rmsd >= 7.269895 and attr rmsd <= 7.349895 )
and bondedto ( attr rmsd >= 113.8432 and attr rmsd <= 115.4431 ))
2.5 2.5 0.2
peak 1710 ppm1 6.956077 ppm2 7.309895 volume 65200000 weight 1.0
REMARK dnoe: 2.842455 position 7.34971 0.1697145
ASSI { 1711 }
( attr rmsd >= 0.1097145 and attr rmsd <= 0.2297145 )
(( attr rmsd >= 7.30971 and attr rmsd <= 7.38971 )
and bondedto ( attr rmsd >= 113.9013 and attr rmsd <= 115.5013 ))
3.0 3.0 0.5999999
peak 1711 ppm1 0.1697145 ppm2 7.34971 volume 14399999 weight 1.0
REMARK dnoe: 3.397292 position 7.3476 -0.0679445
ASSI { 1712 }
( attr rmsd >= -0.1279445 and attr rmsd <= -0.0079445 )
(( attr rmsd >= 7.3076 and attr rmsd <= 7.3876 )
and bondedto ( attr rmsd >= 113.9013 and attr rmsd <= 115.5013 ))
3.6 3.6 1.4
peak 1712 ppm1 -0.0679445 ppm2 7.3476 volume 4940000 weight 1.0
REMARK dnoe: 2.709383 position 7.349898 1.507657
ASSI { 1713 }
( attr rmsd >= 1.447657 and attr rmsd <= 1.567657 )
(( attr rmsd >= 7.309898 and attr rmsd <= 7.389898 )
and bondedto ( attr rmsd >= 114.0367 and attr rmsd <= 115.6367 ))
3.0 3.0 0.5999999
peak 1713 ppm1 1.507657 ppm2 7.349898 volume 19200000 weight 1.0
REMARK dnoe: 3.30008 position 7.318852 1.932363
ASSI { 1714 }
( attr rmsd >= 1.872363 and attr rmsd <= 1.992363 )
(( attr rmsd >= 7.278852 and attr rmsd <= 7.358852 )
and bondedto ( attr rmsd >= 113.8561 and attr rmsd <= 115.4561 ))
3.6 3.6 1.4
peak 1714 ppm1 1.932363 ppm2 7.318852 volume 5880000 weight 1.0
REMARK dnoe: 3.549142 position 7.309097 2.192021
ASSI { 1715 }
( attr rmsd >= 2.132021 and attr rmsd <= 2.252021 )
(( attr rmsd >= 7.269097 and attr rmsd <= 7.349097 )
and bondedto ( attr rmsd >= 113.7885 and attr rmsd <= 115.3885 ))
3.6 3.6 1.4
peak 1715 ppm1 2.192021 ppm2 7.309097 volume 3800000 weight 1.0
REMARK dnoe: 3.460857 position 6.882494 8.665621
ASSI { 1716 }
( attr rmsd >= 8.60562 and attr rmsd <= 8.725621 )
(( attr rmsd >= 6.842494 and attr rmsd <= 6.922494 )
and bondedto ( attr rmsd >= 117.2074 and attr rmsd <= 118.8074 ))
3.6 3.6 1.4
peak 1716 ppm1 8.665621 ppm2 6.882494 volume 4420000 weight 1.0
REMARK dnoe: 2.302284 position 6.882799 6.572745
ASSI { 1717 }
( attr rmsd >= 6.512745 and attr rmsd <= 6.632745 )
(( attr rmsd >= 6.842799 and attr rmsd <= 6.922799 )
and bondedto ( attr rmsd >= 117.2755 and attr rmsd <= 118.8755 ))
2.5 2.5 0.2
peak 1717 ppm1 6.572745 ppm2 6.882799 volume 51000000 weight 1.0
REMARK dnoe: 1.988092 position 6.743185 7.043789
ASSI { 1718 }
( attr rmsd >= 6.983789 and attr rmsd <= 7.103789 )
(( attr rmsd >= 6.703185 and attr rmsd <= 6.783185 )
and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
2.5 2.5 0.2
peak 1718 ppm1 7.043789 ppm2 6.743185 volume 123000000 weight 1.0
REMARK dnoe: 2.591045 position 6.743349 7.18089
ASSI { 1719 }
( attr rmsd >= 7.12089 and attr rmsd <= 7.24089 )
(( attr rmsd >= 6.703349 and attr rmsd <= 6.783349 )
and bondedto ( attr rmsd >= 117.2755 and attr rmsd <= 118.8755 ))
3.0 3.0 0.5999999
peak 1719 ppm1 7.18089 ppm2 6.743349 volume 25099998 weight 1.0
REMARK dnoe: 2.010501 position 6.677482 6.848235
ASSI { 1720 }
( attr rmsd >= 6.788235 and attr rmsd <= 6.908235 )
(( attr rmsd >= 6.637482 and attr rmsd <= 6.717482 )
and bondedto ( attr rmsd >= 117.1376 and attr rmsd <= 118.7377 ))
2.5 2.5 0.2
peak 1720 ppm1 6.848235 ppm2 6.677482 volume 115000000 weight 1.0
REMARK dnoe: 1.96236 position 6.739879 6.886775
ASSI { 1721 }
( attr rmsd >= 6.826775 and attr rmsd <= 6.946775 )
(( attr rmsd >= 6.699879 and attr rmsd <= 6.779879 )
and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
2.5 2.5 0.2
peak 1721 ppm1 6.886775 ppm2 6.739879 volume 133000000 weight 1.0
REMARK dnoe: 2.126654 position 6.56127 6.723122
ASSI { 1722 }
( attr rmsd >= 6.663122 and attr rmsd <= 6.783122 )
(( attr rmsd >= 6.52127 and attr rmsd <= 6.60127 )
and bondedto ( attr rmsd >= 117.3435 and attr rmsd <= 118.9435 ))
2.5 2.5 0.2
peak 1722 ppm1 6.723122 ppm2 6.56127 volume 82100000 weight 1.0
REMARK dnoe: 2.057883 position 6.73948 6.592832
ASSI { 1724 }
( attr rmsd >= 6.532832 and attr rmsd <= 6.652832 )
(( attr rmsd >= 6.69948 and attr rmsd <= 6.77948 )
and bondedto ( attr rmsd >= 117.3433 and attr rmsd <= 118.9433 ))
2.5 2.5 0.2
peak 1724 ppm1 6.592832 ppm2 6.73948 volume 100000000 weight 1.0
REMARK dnoe: 3.487669 position 6.884112 4.982965
ASSI { 1725 }
( attr rmsd >= 4.922965 and attr rmsd <= 5.042965 )
(( attr rmsd >= 6.844112 and attr rmsd <= 6.924112 )
and bondedto ( attr rmsd >= 117.1486 and attr rmsd <= 118.7486 ))
3.6 3.6 1.4
peak 1725 ppm1 4.982965 ppm2 6.884112 volume 4220000 weight 1.0
REMARK dnoe: 3.428044 position 6.886457 3.992092
ASSI { 1726 }
( attr rmsd >= 3.932092 and attr rmsd <= 4.052092 )
(( attr rmsd >= 6.846457 and attr rmsd <= 6.926457 )
and bondedto ( attr rmsd >= 117.1497 and attr rmsd <= 118.7497 ))
3.6 3.6 1.4
peak 1726 ppm1 3.992092 ppm2 6.886457 volume 4680000 weight 1.0
REMARK dnoe: 2.566101 position 6.678302 3.720727
ASSI { 1727 }
( attr rmsd >= 3.660727 and attr rmsd <= 3.780727 )
(( attr rmsd >= 6.638302 and attr rmsd <= 6.718302 )
and bondedto ( attr rmsd >= 117.2527 and attr rmsd <= 118.8527 ))
3.0 3.0 0.5999999
peak 1727 ppm1 3.720727 ppm2 6.678302 volume 26600000 weight 1.0
REMARK dnoe: 2.955311 position 6.561387 3.731768
ASSI { 1728 }
( attr rmsd >= 3.671768 and attr rmsd <= 3.791768 )
(( attr rmsd >= 6.521387 and attr rmsd <= 6.601387 )
and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
3.0 3.0 0.5999999
peak 1728 ppm1 3.731768 ppm2 6.561387 volume 11400000 weight 1.0
REMARK dnoe: 3.64284 position 6.743794 3.177223
ASSI { 1729 }
( attr rmsd >= 3.117223 and attr rmsd <= 3.237223 )
(( attr rmsd >= 6.703794 and attr rmsd <= 6.783794 )
and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
4.2 4.2 1.8
peak 1729 ppm1 3.177223 ppm2 6.743794 volume 3250000 weight 1.0
REMARK dnoe: 3.010607 position 6.743794 2.958511
ASSI { 1730 }
( attr rmsd >= 2.898511 and attr rmsd <= 3.018511 )
(( attr rmsd >= 6.703794 and attr rmsd <= 6.783794 )
and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
3.6 3.6 1.4
peak 1730 ppm1 2.958511 ppm2 6.743794 volume 10200000 weight 1.0
REMARK dnoe: 3.136974 position 6.690003 2.664676
ASSI { 1731 }
( attr rmsd >= 2.604676 and attr rmsd <= 2.724676 )
(( attr rmsd >= 6.650003 and attr rmsd <= 6.730003 )
and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
3.6 3.6 1.4
peak 1731 ppm1 2.664676 ppm2 6.690003 volume 7970000 weight 1.0
REMARK dnoe: 3.349323 position 6.673636 2.909896
ASSI { 1732 }
( attr rmsd >= 2.849896 and attr rmsd <= 2.969896 )
(( attr rmsd >= 6.633636 and attr rmsd <= 6.713636 )
and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
3.6 3.6 1.4
peak 1732 ppm1 2.909896 ppm2 6.673636 volume 5380000 weight 1.0
REMARK dnoe: 2.691012 position 6.885003 2.085297
ASSI { 1733 }
( attr rmsd >= 2.025297 and attr rmsd <= 2.145297 )
(( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )
and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
3.0 3.0 0.5999999
peak 1733 ppm1 2.085297 ppm2 6.885003 volume 20000000 weight 1.0
REMARK dnoe: 2.350816 position 6.885003 1.866713
ASSI { 1734 }
( attr rmsd >= 1.806713 and attr rmsd <= 1.926713 )
(( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )
and bondedto ( attr rmsd >= 117.1473 and attr rmsd <= 118.7473 ))
2.5 2.5 0.2
peak 1734 ppm1 1.866713 ppm2 6.885003 volume 45000000 weight 1.0
REMARK dnoe: 2.849088 position 6.885003 1.136592
ASSI { 1735 }
( attr rmsd >= 1.076592 and attr rmsd <= 1.196592 )
(( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )
and bondedto ( attr rmsd >= 117.1090 and attr rmsd <= 118.7090 ))
3.0 3.0 0.5999999
peak 1735 ppm1 1.136592 ppm2 6.885003 volume 14200000 weight 1.0
REMARK dnoe: 2.972957 position 6.88988 1.022027
ASSI { 1736 }
( attr rmsd >= 0.962027 and attr rmsd <= 1.082027 )
(( attr rmsd >= 6.84988 and attr rmsd <= 6.92988 )
and bondedto ( attr rmsd >= 117.1090 and attr rmsd <= 118.7090 ))
3.0 3.0 0.5999999
peak 1736 ppm1 1.022027 ppm2 6.88988 volume 11000000 weight 1.0
REMARK dnoe: 3.010607 position 6.882565 0.7303183
ASSI { 1737 }
( attr rmsd >= 0.6703183 and attr rmsd <= 0.7903183 )
(( attr rmsd >= 6.842565 and attr rmsd <= 6.922565 )
and bondedto ( attr rmsd >= 117.1619 and attr rmsd <= 118.7619 ))
3.6 3.6 1.4
peak 1737 ppm1 0.7303183 ppm2 6.882565 volume 10200000 weight 1.0
REMARK dnoe: 2.895048 position 6.885003 0.1114116
ASSI { 1738 }
( attr rmsd >= 0.0514116 and attr rmsd <= 0.1714116 )
(( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )
and bondedto ( attr rmsd >= 117.1847 and attr rmsd <= 118.7847 ))
3.0 3.0 0.5999999
peak 1738 ppm1 0.1114116 ppm2 6.885003 volume 12899999 weight 1.0
REMARK dnoe: 3.277258 position 6.882565 -0.1914253
ASSI { 1739 }
( attr rmsd >= -0.2514253 and attr rmsd <= -0.1314253 )
(( attr rmsd >= 6.842565 and attr rmsd <= 6.922565 )
and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
3.6 3.6 1.4
peak 1739 ppm1 -0.1914253 ppm2 6.882565 volume 6130000 weight 1.0
REMARK dnoe: 2.567712 position 6.680366 0.6648183
ASSI { 1741 }
( attr rmsd >= 0.4736041 and attr rmsd <= 0.5936041 )
(( attr rmsd >= 6.520988 and attr rmsd <= 6.600988 )
and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
3.0 3.0 0.5999999
peak 1741 ppm1 0.5336041 ppm2 6.560988 volume 18200000 weight 1.0
REMARK dnoe: 2.816956 position 6.560988 1.008837
ASSI { 1742 }
( attr rmsd >= 0.948837 and attr rmsd <= 1.068837 )
(( attr rmsd >= 6.520988 and attr rmsd <= 6.600988 )
and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
3.0 3.0 0.5999999
peak 1742 ppm1 1.008837 ppm2 6.560988 volume 15200000 weight 1.0
REMARK dnoe: 4.383861 position 7.235585 9.125988
ASSI { 1743 }
( attr rmsd >= 9.065988 and attr rmsd <= 9.185988 )
(( attr rmsd >= 7.195585 and attr rmsd <= 7.275585 )
and bondedto ( attr rmsd >= 118.4221 and attr rmsd <= 120.0221 ))
4.2 4.2 1.8
peak 1743 ppm1 9.125988 ppm2 7.235585 volume 1070000 weight 1.0
REMARK dnoe: 2.762197 position 7.233499 6.934788
ASSI { 1744 }
( attr rmsd >= 6.874788 and attr rmsd <= 6.994788 )
(( attr rmsd >= 7.193499 and attr rmsd <= 7.273499 )
and bondedto ( attr rmsd >= 118.4617 and attr rmsd <= 120.0617 ))
3.0 3.0 0.5999999
peak 1744 ppm1 6.934788 ppm2 7.233499 volume 17100000 weight 1.0
REMARK dnoe: 3.474082 position 7.233264 6.570318
ASSI { 1745 }
( attr rmsd >= 6.510318 and attr rmsd <= 6.630318 )
(( attr rmsd >= 7.193264 and attr rmsd <= 7.273264 )
and bondedto ( attr rmsd >= 118.4182 and attr rmsd <= 120.0182 ))
3.6 3.6 1.4
peak 1745 ppm1 6.570318 ppm2 7.233264 volume 4320000 weight 1.0
REMARK dnoe: 3.338043 position 7.232983 6.139296
ASSI { 1746 }
( attr rmsd >= 6.079296 and attr rmsd <= 6.199296 )
(( attr rmsd >= 7.192983 and attr rmsd <= 7.272983 )
and bondedto ( attr rmsd >= 118.4411 and attr rmsd <= 120.0412 ))
3.6 3.6 1.4
peak 1746 ppm1 6.139296 ppm2 7.232983 volume 5490000 weight 1.0
REMARK dnoe: 3.138947 position 7.233709 2.975224
ASSI { 1747 }
( attr rmsd >= 2.915224 and attr rmsd <= 3.035224 )
(( attr rmsd >= 7.193709 and attr rmsd <= 7.273709 )
and bondedto ( attr rmsd >= 118.3876 and attr rmsd <= 119.9875 ))
3.6 3.6 1.4
peak 1747 ppm1 2.975224 ppm2 7.233709 volume 7940001 weight 1.0
REMARK dnoe: 3.385963 position 7.232819 2.785084
ASSI { 1748 }
( attr rmsd >= 2.725084 and attr rmsd <= 2.845084 )
(( attr rmsd >= 7.192819 and attr rmsd <= 7.272819 )
and bondedto ( attr rmsd >= 118.5238 and attr rmsd <= 120.1238 ))
3.6 3.6 1.4
peak 1748 ppm1 2.785084 ppm2 7.232819 volume 5040000 weight 1.0
REMARK dnoe: 3.411244 position 7.234437 1.425401
ASSI { 1749 }
( attr rmsd >= 1.365401 and attr rmsd <= 1.485401 )
(( attr rmsd >= 7.194437 and attr rmsd <= 7.274437 )
and bondedto ( attr rmsd >= 118.4783 and attr rmsd <= 120.0783 ))
3.6 3.6 1.4
peak 1749 ppm1 1.425401 ppm2 7.234437 volume 4820000 weight 1.0
REMARK dnoe: 3.218725 position 7.234272 1.325917
ASSI { 1750 }
( attr rmsd >= 1.265917 and attr rmsd <= 1.385917 )
(( attr rmsd >= 7.194272 and attr rmsd <= 7.274272 )
and bondedto ( attr rmsd >= 118.4783 and attr rmsd <= 120.0783 ))
3.6 3.6 1.4
peak 1750 ppm1 1.325917 ppm2 7.234272 volume 6830001 weight 1.0
REMARK dnoe: 2.829504 position 7.173587 6.800974
ASSI { 1751 }
( attr rmsd >= 6.740974 and attr rmsd <= 6.860974 )
(( attr rmsd >= 7.133587 and attr rmsd <= 7.213587 )
and bondedto ( attr rmsd >= 121.1416 and attr rmsd <= 122.7416 ))
3.0 3.0 0.5999999
peak 1751 ppm1 6.800974 ppm2 7.173587 volume 14800000 weight 1.0
REMARK dnoe: 2.756849 position 6.935277 7.235348
ASSI { 1752 }
( attr rmsd >= 7.175348 and attr rmsd <= 7.295348 )
(( attr rmsd >= 6.895277 and attr rmsd <= 6.975277 )
and bondedto ( attr rmsd >= 121.0983 and attr rmsd <= 122.6983 ))
3.0 3.0 0.5999999
peak 1752 ppm1 7.235348 ppm2 6.935277 volume 17300000 weight 1.0
REMARK dnoe: 3.024097 position 6.942922 6.593304
ASSI { 1753 }
( attr rmsd >= 6.533304 and attr rmsd <= 6.653304 )
(( attr rmsd >= 6.902922 and attr rmsd <= 6.982922 )
and bondedto ( attr rmsd >= 121.0966 and attr rmsd <= 122.6966 ))
3.6 3.6 1.4
peak 1753 ppm1 6.593304 ppm2 6.942922 volume 9930000 weight 1.0
REMARK dnoe: 2.898805 position 6.815477 7.170686
ASSI { 1754 }
( attr rmsd >= 7.110686 and attr rmsd <= 7.230686 )
(( attr rmsd >= 6.775477 and attr rmsd <= 6.855477 )
and bondedto ( attr rmsd >= 121.0683 and attr rmsd <= 122.6684 ))
3.0 3.0 0.5999999
peak 1754 ppm1 7.170686 ppm2 6.815477 volume 12800001 weight 1.0
REMARK dnoe: 2.914185 position 6.83079 7.02134
ASSI { 1755 }
( attr rmsd >= 6.96134 and attr rmsd <= 7.08134 )
(( attr rmsd >= 6.79079 and attr rmsd <= 6.87079 )
and bondedto ( attr rmsd >= 121.0922 and attr rmsd <= 122.6922 ))
3.0 3.0 0.5999999
peak 1755 ppm1 7.02134 ppm2 6.83079 volume 12400000 weight 1.0
REMARK dnoe: 2.845758 position 7.183975 1.782932
ASSI { 1756 }
( attr rmsd >= 1.722932 and attr rmsd <= 1.842932 )
(( attr rmsd >= 7.143975 and attr rmsd <= 7.223975 )
and bondedto ( attr rmsd >= 121.0736 and attr rmsd <= 122.6736 ))
3.0 3.0 0.5999999
peak 1756 ppm1 1.782932 ppm2 7.183975 volume 14300001 weight 1.0
REMARK dnoe: 3.348286 position 6.815289 1.799882
ASSI { 1757 }
( attr rmsd >= 1.739882 and attr rmsd <= 1.859882 )
(( attr rmsd >= 6.775289 and attr rmsd <= 6.855289 )
and bondedto ( attr rmsd >= 121.0605 and attr rmsd <= 122.6605 ))
3.6 3.6 1.4
peak 1757 ppm1 1.799882 ppm2 6.815289 volume 0.539e+07 weight 1.0
REMARK dnoe: 3.069538 position 6.820449 1.501341
ASSI { 1758 }
( attr rmsd >= 1.441341 and attr rmsd <= 1.561341 )
(( attr rmsd >= 6.780449 and attr rmsd <= 6.860449 )
and bondedto ( attr rmsd >= 121.0821 and attr rmsd <= 122.6821 ))
3.6 3.6 1.4
peak 1758 ppm1 1.501341 ppm2 6.820449 volume 9080000 weight 1.0
REMARK dnoe: 3.314324 position 6.935324 1.886757
ASSI { 1759 }
( attr rmsd >= 1.826757 and attr rmsd <= 1.946757 )
(( attr rmsd >= 6.895324 and attr rmsd <= 6.975324 )
and bondedto ( attr rmsd >= 121.0336 and attr rmsd <= 122.6336 ))
3.6 3.6 1.4
peak 1759 ppm1 1.886757 ppm2 6.935324 volume 5730000 weight 1.0
REMARK dnoe: 4.370351 position 6.935324 2.21215
ASSI { 1760 }
( attr rmsd >= 2.15215 and attr rmsd <= 2.27215 )
(( attr rmsd >= 6.895324 and attr rmsd <= 6.975324 )
and bondedto ( attr rmsd >= 121.1392 and attr rmsd <= 122.7392 ))
4.2 4.2 1.8
peak 1760 ppm1 2.21215 ppm2 6.935324 volume 1090000 weight 1.0
REMARK dnoe: 2.508249 position 7.040937 7.345445
ASSI { 1761 }
( attr rmsd >= 7.285445 and attr rmsd <= 7.405445 )
(( attr rmsd >= 7.000937 and attr rmsd <= 7.080937 )
and bondedto ( attr rmsd >= 123.5703 and attr rmsd <= 125.1703 ))
3.0 3.0 0.5999999
peak 1761 ppm1 7.345445 ppm2 7.040937 volume 30500000 weight 1.0
REMARK dnoe: 2.555016 position 6.95692 7.299816
ASSI { 1762 }
( attr rmsd >= 7.239816 and attr rmsd <= 7.359816 )
(( attr rmsd >= 6.91692 and attr rmsd <= 6.99692 )
and bondedto ( attr rmsd >= 123.7313 and attr rmsd <= 125.3313 ))
3.0 3.0 0.5999999
peak 1762 ppm1 7.299816 ppm2 6.95692 volume 27300000 weight 1.0
REMARK dnoe: 2.445584 position 7.031933 6.818139
ASSI { 1763 }
( attr rmsd >= 6.758139 and attr rmsd <= 6.878139 )
(( attr rmsd >= 6.991933 and attr rmsd <= 7.071933 )
and bondedto ( attr rmsd >= 123.5929 and attr rmsd <= 125.1929 ))
2.5 2.5 0.2
peak 1763 ppm1 6.818139 ppm2 7.031933 volume 35500000 weight 1.0
REMARK dnoe: 3.031263 position 6.955654 2.189679
ASSI { 1765 }
( attr rmsd >= 1.890258 and attr rmsd <= 2.010258 )
(( attr rmsd >= 6.916405 and attr rmsd <= 6.996405 )
and bondedto ( attr rmsd >= 123.6707 and attr rmsd <= 125.2708 ))
3.0 3.0 0.5999999
peak 1765 ppm1 1.950258 ppm2 6.956405 volume 14600000 weight 1.0
REMARK dnoe: 2.955311 position 7.040164 1.502867
ASSI { 1766 }
( attr rmsd >= 1.442867 and attr rmsd <= 1.562867 )
(( attr rmsd >= 7.000164 and attr rmsd <= 7.080164 )
and bondedto ( attr rmsd >= 123.5248 and attr rmsd <= 125.1248 ))
3.0 3.0 0.5999999
peak 1766 ppm1 1.502867 ppm2 7.040164 volume 11400000 weight 1.0
REMARK dnoe: 2.982062 position 6.628145 9.853853
ASSI { 1767 }
( attr rmsd >= 9.793853 and attr rmsd <= 9.913854 )
(( attr rmsd >= 6.588145 and attr rmsd <= 6.668145 )
and bondedto ( attr rmsd >= 124.9974 and attr rmsd <= 126.5974 ))
3.0 3.0 0.5999999
peak 1767 ppm1 9.853853 ppm2 6.628145 volume 10800000 weight 1.0
REMARK dnoe: 2.795897 position 7.306096 10.02045
ASSI { 1768 }
( attr rmsd >= 9.960449 and attr rmsd <= 10.08045 )
(( attr rmsd >= 7.266096 and attr rmsd <= 7.346096 )
and bondedto ( attr rmsd >= 127.5876 and attr rmsd <= 129.1876 ))
3.0 3.0 0.5999999
peak 1768 ppm1 10.02045 ppm2 7.306096 volume 15899999 weight 1.0
REMARK dnoe: 3.214815 position 7.305064 8.265964
ASSI { 1769 }
( attr rmsd >= 8.205963 and attr rmsd <= 8.325964 )
(( attr rmsd >= 7.265064 and attr rmsd <= 7.345064 )
and bondedto ( attr rmsd >= 127.4353 and attr rmsd <= 129.0353 ))
3.6 3.6 1.4
peak 1769 ppm1 8.265964 ppm2 7.305064 volume 6880000 weight 1.0
REMARK dnoe: 2.353438 position 6.692113 6.849094
ASSI { 1770 }
( attr rmsd >= 6.789094 and attr rmsd <= 6.909094 )
(( attr rmsd >= 6.652113 and attr rmsd <= 6.732113 )
and bondedto ( attr rmsd >= 127.4333 and attr rmsd <= 129.0334 ))
2.5 2.5 0.2
peak 1770 ppm1 6.849094 ppm2 6.692113 volume 44700000 weight 1.0
REMARK dnoe: 3.252107 position 7.308207 4.123994
ASSI { 1771 }
( attr rmsd >= 4.063994 and attr rmsd <= 4.183994 )
(( attr rmsd >= 7.268207 and attr rmsd <= 7.348207 )
and bondedto ( attr rmsd >= 127.4513 and attr rmsd <= 129.0513 ))
3.6 3.6 1.4
peak 1771 ppm1 4.123994 ppm2 7.308207 volume 6420000 weight 1.0
REMARK dnoe: 3.129171 position 7.308207 2.985665
ASSI { 1772 }
( attr rmsd >= 2.925665 and attr rmsd <= 3.045665 )
(( attr rmsd >= 7.268207 and attr rmsd <= 7.348207 )
and bondedto ( attr rmsd >= 127.4060 and attr rmsd <= 129.0060 ))
3.6 3.6 1.4
peak 1772 ppm1 2.985665 ppm2 7.308207 volume 8090000 weight 1.0
REMARK dnoe: 3.466105 position 7.305908 2.830949
ASSI { 1773 }
( attr rmsd >= 2.770949 and attr rmsd <= 2.890949 )
(( attr rmsd >= 7.265908 and attr rmsd <= 7.345908 )
and bondedto ( attr rmsd >= 127.5648 and attr rmsd <= 129.1648 ))
3.6 3.6 1.4
peak 1773 ppm1 2.830949 ppm2 7.305908 volume 4380000 weight 1.0
REMARK dnoe: 3.196495 position 6.694247 0.4974499
ASSI { 1777 }
( attr rmsd >= 1.20886 and attr rmsd <= 1.32886 )
(( attr rmsd >= 6.654247 and attr rmsd <= 6.734247 )
and bondedto ( attr rmsd >= 127.5876 and attr rmsd <= 129.1876 ))
3.6 3.6 1.4
peak 1777 ppm1 1.26886 ppm2 6.694247 volume 5870000 weight 1.0
REMARK dnoe: 3.359812 position 6.438726 6.595474
ASSI { 1778 }
( attr rmsd >= 6.535474 and attr rmsd <= 6.655474 )
(( attr rmsd >= 6.398726 and attr rmsd <= 6.478726 )
and bondedto ( attr rmsd >= 128.5634 and attr rmsd <= 130.1634 ))
3.6 3.6 1.4
peak 1778 ppm1 6.595474 ppm2 6.438726 volume 5280000 weight 1.0
REMARK dnoe: 2.955311 position 6.438726 6.745743
ASSI { 1779 }
( attr rmsd >= 6.685743 and attr rmsd <= 6.805743 )
(( attr rmsd >= 6.398726 and attr rmsd <= 6.478726 )
and bondedto ( attr rmsd >= 128.5181 and attr rmsd <= 130.1181 ))
3.0 3.0 0.5999999
peak 1779 ppm1 6.745743 ppm2 6.438726 volume 11400000 weight 1.0
REMARK dnoe: 3.238792 position 6.436663 6.871673
ASSI { 1780 }
( attr rmsd >= 6.811673 and attr rmsd <= 6.931673 )
(( attr rmsd >= 6.396663 and attr rmsd <= 6.476663 )
and bondedto ( attr rmsd >= 128.5408 and attr rmsd <= 130.1409 ))
3.6 3.6 1.4
peak 1780 ppm1 6.871673 ppm2 6.436663 volume 6580000 weight 1.0
REMARK dnoe: 3.152322 position 6.433966 3.25675
ASSI { 1781 }
( attr rmsd >= 3.19675 and attr rmsd <= 3.31675 )
(( attr rmsd >= 6.393966 and attr rmsd <= 6.473966 )
and bondedto ( attr rmsd >= 128.7224 and attr rmsd <= 130.3224 ))
3.6 3.6 1.4
peak 1781 ppm1 3.25675 ppm2 6.433966 volume 7740000 weight 1.0
REMARK dnoe: 3.656084 position 6.85595 9.223646
ASSI { 1782 }
( attr rmsd >= 9.163646 and attr rmsd <= 9.283647 )
(( attr rmsd >= 6.81595 and attr rmsd <= 6.89595 )
and bondedto ( attr rmsd >= 130.2204 and attr rmsd <= 131.8204 ))
4.2 4.2 1.8
peak 1782 ppm1 9.223646 ppm2 6.85595 volume 3180000 weight 1.0
REMARK dnoe: 3.949866 position 6.759365 9.239093
ASSI { 1783 }
( attr rmsd >= 9.179092 and attr rmsd <= 9.299093 )
(( attr rmsd >= 6.719365 and attr rmsd <= 6.799365 )
and bondedto ( attr rmsd >= 130.3564 and attr rmsd <= 131.9564 ))
4.2 4.2 1.8
peak 1783 ppm1 9.239093 ppm2 6.759365 volume 2000000 weight 1.0
REMARK dnoe: 2.301533 position 6.761991 6.878139
ASSI { 1784 }
( attr rmsd >= 6.818139 and attr rmsd <= 6.938139 )
(( attr rmsd >= 6.721991 and attr rmsd <= 6.801991 )
and bondedto ( attr rmsd >= 130.1749 and attr rmsd <= 131.7749 ))
2.5 2.5 0.2
peak 1784 ppm1 6.878139 ppm2 6.761991 volume 51099996 weight 1.0
REMARK dnoe: 2.652637 position 6.760584 6.44166
ASSI { 1785 }
( attr rmsd >= 6.38166 and attr rmsd <= 6.50166 )
(( attr rmsd >= 6.720584 and attr rmsd <= 6.800584 )
and bondedto ( attr rmsd >= 130.2884 and attr rmsd <= 131.8884 ))
3.0 3.0 0.5999999
peak 1785 ppm1 6.44166 ppm2 6.760584 volume 21800000 weight 1.0
REMARK dnoe: 2.388545 position 6.855528 6.700888
ASSI { 1786 }
( attr rmsd >= 6.640888 and attr rmsd <= 6.760888 )
(( attr rmsd >= 6.815528 and attr rmsd <= 6.895528 )
and bondedto ( attr rmsd >= 130.0613 and attr rmsd <= 131.6613 ))
2.5 2.5 0.2
peak 1786 ppm1 6.700888 ppm2 6.855528 volume 40900000 weight 1.0
REMARK dnoe: 3.267558 position 6.764711 -0.1922631
ASSI { 1787 }
( attr rmsd >= -0.2522631 and attr rmsd <= -0.1322631 )
(( attr rmsd >= 6.724711 and attr rmsd <= 6.804711 )
and bondedto ( attr rmsd >= 130.2350 and attr rmsd <= 131.8350 ))
3.6 3.6 1.4
peak 1787 ppm1 -0.1922631 ppm2 6.764711 volume 6240000 weight 1.0
REMARK dnoe: 3.148267 position 6.76246 0.4062572
ASSI { 1788 }
( attr rmsd >= 0.3462572 and attr rmsd <= 0.4662572 )
(( attr rmsd >= 6.72246 and attr rmsd <= 6.80246 )
and bondedto ( attr rmsd >= 130.2330 and attr rmsd <= 131.8331 ))
3.6 3.6 1.4
peak 1788 ppm1 0.4062572 ppm2 6.76246 volume 0.78e+07 weight 1.0
REMARK dnoe: 3.15029 position 6.859327 0.513669
ASSI { 1794 }
( attr rmsd >= 6.683359 and attr rmsd <= 6.803359 )
(( attr rmsd >= 7.007245 and attr rmsd <= 7.087245 )
and bondedto ( attr rmsd >= 132.6034 and attr rmsd <= 134.2034 ))
2.5 2.5 0.2
peak 1794 ppm1 6.743359 ppm2 7.047245 volume 87600000 weight 1.0
REMARK dnoe: 2.152311 position 6.733594 6.568428
ASSI { 1795 }
( attr rmsd >= 6.508428 and attr rmsd <= 6.628428 )
(( attr rmsd >= 6.693594 and attr rmsd <= 6.773594 )
and bondedto ( attr rmsd >= 132.2378 and attr rmsd <= 133.8378 ))
2.5 2.5 0.2
peak 1795 ppm1 6.568428 ppm2 6.733594 volume 76400000 weight 1.0
REMARK dnoe: 2.533808 position 6.574401 6.8828
ASSI { 1796 }
( attr rmsd >= 6.8228 and attr rmsd <= 6.9428 )
(( attr rmsd >= 6.534401 and attr rmsd <= 6.614401 )
and bondedto ( attr rmsd >= 132.4901 and attr rmsd <= 134.0901 ))
3.0 3.0 0.5999999
peak 1796 ppm1 6.8828 ppm2 6.574401 volume 28700000 weight 1.0
REMARK dnoe: 2.951012 position 7.049004 4.483651
ASSI { 1797 }
( attr rmsd >= 4.423651 and attr rmsd <= 4.543651 )
(( attr rmsd >= 7.009004 and attr rmsd <= 7.089004 )
and bondedto ( attr rmsd >= 132.6489 and attr rmsd <= 134.2489 ))
3.0 3.0 0.5999999
peak 1797 ppm1 4.483651 ppm2 7.049004 volume 11500000 weight 1.0
REMARK dnoe: 3.279043 position 6.733078 4.357635
ASSI { 1798 }
( attr rmsd >= 4.297635 and attr rmsd <= 4.417635 )
(( attr rmsd >= 6.693078 and attr rmsd <= 6.773078 )
and bondedto ( attr rmsd >= 132.2402 and attr rmsd <= 133.8403 ))
3.6 3.6 1.4
peak 1798 ppm1 4.357635 ppm2 6.733078 volume 6110000 weight 1.0
REMARK dnoe: 3.754849 position 6.569125 4.990721
ASSI { 1799 }
( attr rmsd >= 4.930721 and attr rmsd <= 5.050721 )
(( attr rmsd >= 6.529125 and attr rmsd <= 6.609125 )
and bondedto ( attr rmsd >= 132.4301 and attr rmsd <= 134.0301 ))
4.2 4.2 1.8
peak 1799 ppm1 4.990721 ppm2 6.569125 volume 2710000 weight 1.0
REMARK dnoe: 2.764899 position 7.047057 3.199457
ASSI { 1800 }
( attr rmsd >= 3.139457 and attr rmsd <= 3.259457 )
(( attr rmsd >= 7.007057 and attr rmsd <= 7.087057 )
and bondedto ( attr rmsd >= 132.6489 and attr rmsd <= 134.2489 ))
3.0 3.0 0.5999999
peak 1800 ppm1 3.199457 ppm2 7.047057 volume 17000000 weight 1.0
REMARK dnoe: 2.743789 position 7.046682 2.969532
ASSI { 1801 }
( attr rmsd >= 2.909532 and attr rmsd <= 3.029532 )
(( attr rmsd >= 7.006682 and attr rmsd <= 7.086682 )
and bondedto ( attr rmsd >= 132.6034 and attr rmsd <= 134.2034 ))
3.0 3.0 0.5999999
peak 1801 ppm1 2.969532 ppm2 7.046682 volume 17800000 weight 1.0
REMARK dnoe: 2.351687 position 6.925828 3.292325
ASSI { 1803 }
( attr rmsd >= 3.073571 and attr rmsd <= 3.193571 )
(( attr rmsd >= 6.887961 and attr rmsd <= 6.967961 )
and bondedto ( attr rmsd >= 132.4426 and attr rmsd <= 134.0426 ))
2.5 2.5 0.2
peak 1803 ppm1 3.133571 ppm2 6.927961 volume 37800000 weight 1.0
REMARK dnoe: 2.883976 position 6.857052 3.734497
ASSI { 1806 }
( attr rmsd >= 3.932307 and attr rmsd <= 4.052307 )
(( attr rmsd >= 6.537707 and attr rmsd <= 6.617707 )
and bondedto ( attr rmsd >= 132.4450 and attr rmsd <= 134.0450 ))
3.6 3.6 1.4
peak 1806 ppm1 3.992307 ppm2 6.577707 volume 8590000 weight 1.0
REMARK dnoe: 2.991367 position 6.734579 2.845728
ASSI { 1807 }
( attr rmsd >= 2.785728 and attr rmsd <= 2.905728 )
(( attr rmsd >= 6.694579 and attr rmsd <= 6.774579 )
and bondedto ( attr rmsd >= 132.3538 and attr rmsd <= 133.9538 ))
3.0 3.0 0.5999999
peak 1807 ppm1 2.845728 ppm2 6.734579 volume 10600000 weight 1.0
REMARK dnoe: 2.880351 position 6.734579 2.492
ASSI { 1808 }
( attr rmsd >= 2.432 and attr rmsd <= 2.552 )
(( attr rmsd >= 6.694579 and attr rmsd <= 6.774579 )
and bondedto ( attr rmsd >= 132.3083 and attr rmsd <= 133.9083 ))
3.0 3.0 0.5999999
peak 1808 ppm1 2.492 ppm2 6.734579 volume 13300000 weight 1.0
REMARK dnoe: 2.456073 position 6.854918 2.651184
ASSI { 1809 }
( attr rmsd >= 2.591184 and attr rmsd <= 2.711184 )
(( attr rmsd >= 6.814918 and attr rmsd <= 6.894918 )
and bondedto ( attr rmsd >= 132.8757 and attr rmsd <= 134.4757 ))
2.5 2.5 0.2
peak 1809 ppm1 2.651184 ppm2 6.854918 volume 34600000 weight 1.0
REMARK dnoe: 3.07578 position 6.57419 2.057971
ASSI { 1810 }
( attr rmsd >= 1.997971 and attr rmsd <= 2.117971 )
(( attr rmsd >= 6.53419 and attr rmsd <= 6.61419 )
and bondedto ( attr rmsd >= 132.4463 and attr rmsd <= 134.0463 ))
3.6 3.6 1.4
peak 1810 ppm1 2.057971 ppm2 6.57419 volume 8970000 weight 1.0
REMARK dnoe: 2.930154 position 6.924655 1.263296
ASSI { 1812 }
( attr rmsd >= 0.5150866 and attr rmsd <= 0.6350866 )
(( attr rmsd >= 6.69601 and attr rmsd <= 6.77601 )
and bondedto ( attr rmsd >= 132.4034 and attr rmsd <= 134.0034 ))
3.0 3.0 0.5999999
peak 1812 ppm1 0.5750866 ppm2 6.73601 volume 15000001 weight 1.0
REMARK dnoe: 2.673479 position 6.923131 0.4901023
ASSI { 1814 }
( attr rmsd >= 8.528714 and attr rmsd <= 8.648715 )
(( attr rmsd >= 6.81595 and attr rmsd <= 6.89595 )
and bondedto ( attr rmsd >= 132.8838 and attr rmsd <= 134.4838 ))
3.0 3.0 0.5999999
peak 1814 ppm1 8.588715 ppm2 6.85595 volume 12800001 weight 1.0
REMARK dnoe: 3.039599 position 6.856466 5.49416
ASSI { 1815 }
( attr rmsd >= 5.43416 and attr rmsd <= 5.55416 )
(( attr rmsd >= 6.816466 and attr rmsd <= 6.896466 )
and bondedto ( attr rmsd >= 132.8597 and attr rmsd <= 134.4597 ))
3.6 3.6 1.4
peak 1815 ppm1 5.49416 ppm2 6.856466 volume 9630000 weight 1.0
REMARK dnoe: 2.025452 position 6.855528 6.677365
ASSI { 1816 }
( attr rmsd >= 6.617365 and attr rmsd <= 6.737365 )
(( attr rmsd >= 6.815528 and attr rmsd <= 6.895528 )
and bondedto ( attr rmsd >= 132.8683 and attr rmsd <= 134.4682 ))
2.5 2.5 0.2
peak 1816 ppm1 6.677365 ppm2 6.855528 volume 110000000 weight 1.0
REMARK dnoe: 2.829504 position 6.858412 1.676143
ASSI { 1817 }
( attr rmsd >= 1.616143 and attr rmsd <= 1.736143 )
(( attr rmsd >= 6.818412 and attr rmsd <= 6.898412 )
and bondedto ( attr rmsd >= 132.8984 and attr rmsd <= 134.4984 ))
3.0 3.0 0.5999999
peak 1817 ppm1 1.676143 ppm2 6.858412 volume 14800000 weight 1.0
REMARK dnoe: 3.0375 position 6.858412 1.437582
ASSI { 1818 }
( attr rmsd >= 1.377582 and attr rmsd <= 1.497582 )
(( attr rmsd >= 6.818412 and attr rmsd <= 6.898412 )
and bondedto ( attr rmsd >= 132.8757 and attr rmsd <= 134.4757 ))
3.6 3.6 1.4
peak 1818 ppm1 1.437582 ppm2 6.858412 volume 9670000 weight 1.0
REMARK dnoe: 2.559725 position 6.858412 0.6437445
ASSI { 1820 }
( attr rmsd >= 0.2643446 and attr rmsd <= 0.3843446 )
(( attr rmsd >= 6.811776 and attr rmsd <= 6.891776 )
and bondedto ( attr rmsd >= 132.9212 and attr rmsd <= 134.5212 ))
3.6 3.6 1.4
peak 1820 ppm1 0.3243446 ppm2 6.851776 volume 6470000 weight 1.0
REMARK dnoe: 3.055674 position 4.533794 1.584951
ASSI { 1821 }
( attr rmsd >= 1.524951 and attr rmsd <= 1.644951 )
(( attr rmsd >= 4.493794 and attr rmsd <= 4.573794 )
and bondedto ( attr rmsd >= 52.86345 and attr rmsd <= 54.46345 ))
3.6 3.6 1.4
peak 1821 ppm1 1.584951 ppm2 4.533794 volume 9330000 weight 1.0
REMARK dnoe: 4.172153 position 1.147558 2.193417
ASSI { 1822 }
( attr rmsd >= 2.133417 and attr rmsd <= 2.253417 )
(( attr rmsd >= 1.107558 and attr rmsd <= 1.187558 )
and bondedto ( attr rmsd >= 22.60356 and attr rmsd <= 24.20356 ))
4.2 4.2 1.8
peak 1822 ppm1 2.193417 ppm2 1.147558 volume 1440000 weight 1.0
REMARK dnoe: 2.721325 position 3.971681 1.921043
ASSI { 1823 }
( attr rmsd >= 1.861043 and attr rmsd <= 1.981043 )
(( attr rmsd >= 3.931681 and attr rmsd <= 4.011681 )
and bondedto ( attr rmsd >= 62.90357 and attr rmsd <= 64.50357 ))
3.0 3.0 0.5999999
peak 1823 ppm1 1.921043 ppm2 3.971681 volume 18700000 weight 1.0
REMARK dnoe: 2.704708 position 3.974073 1.572878
ASSI { 1824 }
( attr rmsd >= 1.512878 and attr rmsd <= 1.632878 )
(( attr rmsd >= 3.934073 and attr rmsd <= 4.014073 )
and bondedto ( attr rmsd >= 62.82941 and attr rmsd <= 64.42941 ))
3.0 3.0 0.5999999
peak 1824 ppm1 1.572878 ppm2 3.974073 volume 19400000 weight 1.0
REMARK dnoe: 2.866161 position 3.976441 1.22959
ASSI { 1825 }
( attr rmsd >= 1.16959 and attr rmsd <= 1.28959 )
(( attr rmsd >= 3.936441 and attr rmsd <= 4.016441 )
and bondedto ( attr rmsd >= 63.12581 and attr rmsd <= 64.72581 ))
3.0 3.0 0.5999999
peak 1825 ppm1 1.22959 ppm2 3.976441 volume 13699999 weight 1.0
REMARK dnoe: 2.982062 position 3.971681 0.795023
ASSI { 1826 }
( attr rmsd >= 0.735023 and attr rmsd <= 0.855023 )
(( attr rmsd >= 3.931681 and attr rmsd <= 4.011681 )
and bondedto ( attr rmsd >= 62.90314 and attr rmsd <= 64.50314 ))
3.0 3.0 0.5999999
peak 1826 ppm1 0.795023 ppm2 3.971681 volume 10800000 weight 1.0
REMARK dnoe: 3.134358 position 3.974073 0.1007781
ASSI { 1827 }
( attr rmsd >= 0.0407781 and attr rmsd <= 0.1607781 )
(( attr rmsd >= 3.934073 and attr rmsd <= 4.014073 )
and bondedto ( attr rmsd >= 62.87186 and attr rmsd <= 64.47186 ))
3.6 3.6 1.4
peak 1827 ppm1 0.1007781 ppm2 3.974073 volume 8010000 weight 1.0
REMARK dnoe: 3.637266 position 4.043622 9.473722
ASSI { 1828 }
( attr rmsd >= 9.413722 and attr rmsd <= 9.533723 )
(( attr rmsd >= 4.003622 and attr rmsd <= 4.083622 )
and bondedto ( attr rmsd >= 61.17134 and attr rmsd <= 62.77134 ))
4.2 4.2 1.8
peak 1828 ppm1 9.473722 ppm2 4.043622 volume 3280000 weight 1.0 REMARK chemical shifts generated by Felix2000.0 from ana_0225.dba database
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