NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20594 |
2g46   |
6997 | cing | 1-original | 6 | XPLOR/CNS | peak |
! F3 (1H): 0.03 ppm
! F2 (X): 0.3 ppm
! F1 (1H): 0.03 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 4.454 and attr rmsd > 4.394 )
and bondedto( attr rmsd < 58.802 and attr rmsd > 58.202 ))
( attr rmsd < 1.662 and attr rmsd > 1.602 )
6 6 0 peak 902 volume 75.15190 ppm1 4.424 ppm2 1.632
assi (( attr rmsd < 4.454 and attr rmsd > 4.394 )
and bondedto( attr rmsd < 58.831 and attr rmsd > 58.231 ))
( attr rmsd < 1.476 and attr rmsd > 1.416 )
6 6 0 peak 912 volume 15.99710 ppm1 4.424 ppm2 1.446
assi (( attr rmsd < 3.927 and attr rmsd > 3.867 )
and bondedto( attr rmsd < 55.806 and attr rmsd > 55.206 ))
( attr rmsd < 0.592 and attr rmsd > 0.532 )
6 6 0 peak 1472 volume 3.74070 ppm1 3.897 ppm2 0.562
assi (( attr rmsd < 4.928 and attr rmsd > 4.868 )
and bondedto( attr rmsd < 54.923 and attr rmsd > 54.323 ))
( attr rmsd < 6.95 and attr rmsd > 6.89 )
6 6 0 peak 1552 volume 64.01440 ppm1 4.898 ppm2 6.920
assi (( attr rmsd < 5.356 and attr rmsd > 5.296 )
and bondedto( attr rmsd < 54.176 and attr rmsd > 53.576 ))
( attr rmsd < 1.42 and attr rmsd > 1.36 )
6 6 0 peak 1832 volume 43.63710 ppm1 5.326 ppm2 1.390
assi (( attr rmsd < 2.219 and attr rmsd > 2.159 )
and bondedto( attr rmsd < 35.84 and attr rmsd > 35.24 ))
( attr rmsd < 4.31 and attr rmsd > 4.25 )
6 6 0 peak 3152 volume 21.65500 ppm1 2.189 ppm2 4.280
assi (( attr rmsd < 2.443 and attr rmsd > 2.383 )
and bondedto( attr rmsd < 34.182 and attr rmsd > 33.582 ))
( attr rmsd < 4.488 and attr rmsd > 4.428 )
6 6 0 peak 3212 volume 21.17670 ppm1 2.413 ppm2 4.458
assi (( attr rmsd < 1.588 and attr rmsd > 1.528 )
and bondedto( attr rmsd < 25.6 and attr rmsd > 25 ))
( attr rmsd < 3.892 and attr rmsd > 3.832 )
6 6 0 peak 4212 volume 166.41650 ppm1 1.558 ppm2 3.862
assi (( attr rmsd < 1.583 and attr rmsd > 1.523 )
and bondedto( attr rmsd < 25.6 and attr rmsd > 25 ))
( attr rmsd < 3.148 and attr rmsd > 3.088 )
6 6 0 peak 4222 volume 39.36060 ppm1 1.553 ppm2 3.118
assi (( attr rmsd < 0.943 and attr rmsd > 0.883 )
and bondedto( attr rmsd < 25.334 and attr rmsd > 24.734 ))
( attr rmsd < 2.756 and attr rmsd > 2.696 )
6 6 0 peak 4322 volume 51.56920 ppm1 0.913 ppm2 2.726
assi (( attr rmsd < 0.134 and attr rmsd > 0.074 )
and bondedto( attr rmsd < 24.544 and attr rmsd > 23.944 ))
( attr rmsd < 3.67 and attr rmsd > 3.61 )
6 6 0 peak 4532 volume 20.39360 ppm1 0.104 ppm2 3.640
assi (( attr rmsd < 0.986 and attr rmsd > 0.926 )
and bondedto( attr rmsd < 22.361 and attr rmsd > 21.761 ))
( attr rmsd < 1.566 and attr rmsd > 1.506 )
6 6 0 peak 5002 volume 167.14079 ppm1 0.956 ppm2 1.536
assi (( attr rmsd < 0.465 and attr rmsd > 0.405 )
and bondedto( attr rmsd < 22.074 and attr rmsd > 21.474 ))
( attr rmsd < 1.307 and attr rmsd > 1.247 )
6 6 0 peak 5072 volume 11.94350 ppm1 0.435 ppm2 1.277
assi (( attr rmsd < -0.334 and attr rmsd > -0.394 )
and bondedto( attr rmsd < 21.532 and attr rmsd > 20.932 ))
( attr rmsd < 3.217 and attr rmsd > 3.157 )
6 6 0 peak 5172 volume 3.49470 ppm1 -0.364 ppm2 3.187
assi (( attr rmsd < 2.158 and attr rmsd > 2.098 )
and bondedto( attr rmsd < 20.027 and attr rmsd > 19.427 ))
( attr rmsd < 1.051 and attr rmsd > 0.991 )
6 6 0 peak 5492 volume 48.48110 ppm1 2.128 ppm2 1.021
assi (( attr rmsd < 1.697 and attr rmsd > 1.637 )
and bondedto( attr rmsd < 19.333 and attr rmsd > 18.733 ))
( attr rmsd < 7.249 and attr rmsd > 7.189 )
6 6 0 peak 5522 volume 32.50590 ppm1 1.667 ppm2 7.219
assi (( attr rmsd < 1.696 and attr rmsd > 1.636 )
and bondedto( attr rmsd < 19.333 and attr rmsd > 18.733 ))
( attr rmsd < 6.972 and attr rmsd > 6.912 )
6 6 0 peak 5532 volume 18.82880 ppm1 1.666 ppm2 6.942
assi (( attr rmsd < 1.622 and attr rmsd > 1.562 )
and bondedto( attr rmsd < 18.453 and attr rmsd > 17.853 ))
( attr rmsd < 2.014 and attr rmsd > 1.954 )
6 6 0 peak 5842 volume 86.54540 ppm1 1.592 ppm2 1.984
assi (( attr rmsd < 1.014 and attr rmsd > 0.954 )
and bondedto( attr rmsd < 16.612 and attr rmsd > 16.012 ))
( attr rmsd < 7.27 and attr rmsd > 7.21 )
6 6 0 peak 6102 volume 50.20310 ppm1 0.984 ppm2 7.240
assi (( attr rmsd < 1.015 and attr rmsd > 0.955 )
and bondedto( attr rmsd < 16.627 and attr rmsd > 16.027 ))
( attr rmsd < 1.944 and attr rmsd > 1.884 )
6 6 0 peak 6172 volume 180.67790 ppm1 0.985 ppm2 1.914
assi (( attr rmsd < 1.741 and attr rmsd > 1.681 )
and bondedto( attr rmsd < 16.369 and attr rmsd > 15.769 ))
( attr rmsd < 6.939 and attr rmsd > 6.879 )
6 6 0 peak 6212 volume 66.02250 ppm1 1.711 ppm2 6.909
assi (( attr rmsd < 1.75 and attr rmsd > 1.69 )
and bondedto( attr rmsd < 16.379 and attr rmsd > 15.779 ))
( attr rmsd < 0.756 and attr rmsd > 0.696 )
6 6 0 peak 6272 volume 19.76490 ppm1 1.720 ppm2 0.726
assi (( attr rmsd < 0.709 and attr rmsd > 0.649 )
and bondedto( attr rmsd < 15.42 and attr rmsd > 14.82 ))
( attr rmsd < 4.674 and attr rmsd > 4.614 )
6 6 0 peak 6282 volume 130.91811 ppm1 0.679 ppm2 4.644
assi (( attr rmsd < 0.422 and attr rmsd > 0.362 )
and bondedto( attr rmsd < 14.601 and attr rmsd > 14.001 ))
( attr rmsd < 2.237 and attr rmsd > 2.177 )
6 6 0 peak 6432 volume 45.43540 ppm1 0.392 ppm2 2.207
assi (( attr rmsd < 0.416 and attr rmsd > 0.356 )
and bondedto( attr rmsd < 14.606 and attr rmsd > 14.006 ))
( attr rmsd < 1.439 and attr rmsd > 1.379 )
6 6 0 peak 6442 volume 32.01520 ppm1 0.386 ppm2 1.409
assi (( attr rmsd < 0.848 and attr rmsd > 0.788 )
and bondedto( attr rmsd < 14.192 and attr rmsd > 13.592 ))
( attr rmsd < 1.909 and attr rmsd > 1.849 )
6 6 0 peak 6532 volume 31.25260 ppm1 0.818 ppm2 1.879
assi (( attr rmsd < 0.85 and attr rmsd > 0.79 )
and bondedto( attr rmsd < 14.208 and attr rmsd > 13.608 ))
( attr rmsd < 1.792 and attr rmsd > 1.732 )
6 6 0 peak 6542 volume 21.16650 ppm1 0.820 ppm2 1.762
assi (( attr rmsd < 2.155 and attr rmsd > 2.095 )
and bondedto( attr rmsd < 20.06 and attr rmsd > 19.46 ))
( attr rmsd < 0.492 and attr rmsd > 0.432 )
6 6 0 peak 6752 volume 13.22670 ppm1 2.125 ppm2 0.462
assi (( attr rmsd < 1.438 and attr rmsd > 1.378 )
and bondedto( attr rmsd < 25.24 and attr rmsd > 24.64 ))
( attr rmsd < 7.278 and attr rmsd > 7.218 )
6 6 0 peak 6892 volume 7.89590 ppm1 1.408 ppm2 7.248
assi (( attr rmsd < 1.429 and attr rmsd > 1.369 )
and bondedto( attr rmsd < 25.24 and attr rmsd > 24.64 ))
( attr rmsd < 7.511 and attr rmsd > 7.451 )
6 6 0 peak 6902 volume 4.37380 ppm1 1.399 ppm2 7.481
assi (( attr rmsd < 5.024 and attr rmsd > 4.964 )
and bondedto( attr rmsd < 52.63 and attr rmsd > 52.03 ))
( attr rmsd < 1.476 and attr rmsd > 1.416 )
6 6 0 peak 7022 volume 9.12300 ppm1 4.994 ppm2 1.446
assi (( attr rmsd < 0.945 and attr rmsd > 0.885 )
and bondedto( attr rmsd < 25.334 and attr rmsd > 24.734 ))
( attr rmsd < 1.619 and attr rmsd > 1.559 )
6 6 0 peak 7142 volume 152.04359 ppm1 0.915 ppm2 1.589
assi (( attr rmsd < 1.014 and attr rmsd > 0.954 )
and bondedto( attr rmsd < 16.706 and attr rmsd > 16.106 ))
( attr rmsd < 1.131 and attr rmsd > 1.071 )
6 6 0 peak 7212 volume 23.05220 ppm1 0.984 ppm2 1.101
assi (( attr rmsd < 5.091 and attr rmsd > 5.031 )
and bondedto( attr rmsd < 57.627 and attr rmsd > 57.027 ))
( attr rmsd < 2.475 and attr rmsd > 2.415 )
6 6 0 peak 7412 volume 6.83740 ppm1 5.061 ppm2 2.445
assi (( attr rmsd < 5.035 and attr rmsd > 4.975 )
and bondedto( attr rmsd < 56.887 and attr rmsd > 56.287 ))
( attr rmsd < 1.569 and attr rmsd > 1.509 )
6 6 0 peak 7672 volume 2.34340 ppm1 5.005 ppm2 1.539
assi (( attr rmsd < 1.689 and attr rmsd > 1.629 )
and bondedto( attr rmsd < 19.417 and attr rmsd > 18.817 ))
( attr rmsd < 2.699 and attr rmsd > 2.639 )
6 6 0 peak 7722 volume 29.46100 ppm1 1.659 ppm2 2.669
assi (( attr rmsd < 3.919 and attr rmsd > 3.859 )
and bondedto( attr rmsd < 62.311 and attr rmsd > 61.711 ))
( attr rmsd < 2.264 and attr rmsd > 2.204 )
6 6 0 peak 7952 volume 0.99380 ppm1 3.889 ppm2 2.234
assi (( attr rmsd < 3.69 and attr rmsd > 3.63 )
and bondedto( attr rmsd < 56.79 and attr rmsd > 56.19 ))
( attr rmsd < 0.985 and attr rmsd > 0.925 )
6 6 0 peak 8152 volume 6.59050 ppm1 3.660 ppm2 0.955
assi (( attr rmsd < 2.218 and attr rmsd > 2.158 )
and bondedto( attr rmsd < 36.673 and attr rmsd > 36.073 ))
( attr rmsd < 1.327 and attr rmsd > 1.267 )
6 6 0 peak 8332 volume 28.68350 ppm1 2.188 ppm2 1.297
assi (( attr rmsd < 1.747 and attr rmsd > 1.687 )
and bondedto( attr rmsd < 16.459 and attr rmsd > 15.859 ))
( attr rmsd < 5.02 and attr rmsd > 4.96 )
6 6 0 peak 8702 volume 17.93030 ppm1 1.717 ppm2 4.990
assi (( attr rmsd < 1.745 and attr rmsd > 1.685 )
and bondedto( attr rmsd < 16.459 and attr rmsd > 15.859 ))
( attr rmsd < 7.262 and attr rmsd > 7.202 )
6 6 0 peak 8712 volume 18.16930 ppm1 1.715 ppm2 7.232
assi (( attr rmsd < 0.827 and attr rmsd > 0.767 )
and bondedto( attr rmsd < 22.32 and attr rmsd > 21.72 ))
( attr rmsd < 2.304 and attr rmsd > 2.244 )
6 6 0 peak 9022 volume 25.93060 ppm1 0.797 ppm2 2.274
assi (( attr rmsd < 0.83 and attr rmsd > 0.77 )
and bondedto( attr rmsd < 22.32 and attr rmsd > 21.72 ))
( attr rmsd < 2.369 and attr rmsd > 2.309 )
6 6 0 peak 9032 volume 2.75890 ppm1 0.800 ppm2 2.339
assi (( attr rmsd < 4.448 and attr rmsd > 4.388 )
and bondedto( attr rmsd < 58.859 and attr rmsd > 58.259 ))
( attr rmsd < 1.299 and attr rmsd > 1.239 )
6 6 0 peak 9242 volume 27.19060 ppm1 4.418 ppm2 1.269
assi (( attr rmsd < 3.561 and attr rmsd > 3.501 )
and bondedto( attr rmsd < 44.006 and attr rmsd > 43.406 ))
( attr rmsd < 1.786 and attr rmsd > 1.726 )
6 6 0 peak 9272 volume 78.72160 ppm1 3.531 ppm2 1.756
assi (( attr rmsd < 3.558 and attr rmsd > 3.498 )
and bondedto( attr rmsd < 44.006 and attr rmsd > 43.406 ))
( attr rmsd < 2 and attr rmsd > 1.94 )
6 6 0 peak 9282 volume 68.94430 ppm1 3.528 ppm2 1.970
assi (( attr rmsd < 4.922 and attr rmsd > 4.862 )
and bondedto( attr rmsd < 58.613 and attr rmsd > 58.013 ))
( attr rmsd < 0.995 and attr rmsd > 0.935 )
6 6 0 peak 9432 volume 12.35180 ppm1 4.892 ppm2 0.965
assi (( attr rmsd < 0.891 and attr rmsd > 0.831 )
and bondedto( attr rmsd < 24.53 and attr rmsd > 23.93 ))
( attr rmsd < 7.238 and attr rmsd > 7.178 )
6 6 0 peak 9572 volume 22.51290 ppm1 0.861 ppm2 7.208
assi (( attr rmsd < 3.827 and attr rmsd > 3.767 )
and bondedto( attr rmsd < 60.339 and attr rmsd > 59.739 ))
( attr rmsd < 1.561 and attr rmsd > 1.501 )
6 6 0 peak 9592 volume 32.08790 ppm1 3.797 ppm2 1.531
assi (( attr rmsd < 3.553 and attr rmsd > 3.493 )
and bondedto( attr rmsd < 43.972 and attr rmsd > 43.372 ))
( attr rmsd < 4.002 and attr rmsd > 3.942 )
6 6 0 peak 9792 volume 17.96550 ppm1 3.523 ppm2 3.972
assi (( attr rmsd < 4.286 and attr rmsd > 4.226 )
and bondedto( attr rmsd < 62.489 and attr rmsd > 61.889 ))
( attr rmsd < 7.339 and attr rmsd > 7.279 )
6 6 0 peak 9882 volume 11.04120 ppm1 4.256 ppm2 7.309
assi (( attr rmsd < 2.152 and attr rmsd > 2.092 )
and bondedto( attr rmsd < 20.1 and attr rmsd > 19.5 ))
( attr rmsd < 1.529 and attr rmsd > 1.469 )
6 6 0 peak 9912 volume 15.68540 ppm1 2.122 ppm2 1.499
assi (( attr rmsd < 4.717 and attr rmsd > 4.657 )
and bondedto( attr rmsd < 54.422 and attr rmsd > 53.822 ))
( attr rmsd < 2.316 and attr rmsd > 2.256 )
6 6 0 peak 10022 volume 31.83870 ppm1 4.687 ppm2 2.286
assi (( attr rmsd < 5.394 and attr rmsd > 5.334 )
and bondedto( attr rmsd < 55.655 and attr rmsd > 55.055 ))
( attr rmsd < 0.949 and attr rmsd > 0.889 )
6 6 0 peak 10052 volume 3.90890 ppm1 5.364 ppm2 0.919
assi (( attr rmsd < 1.678 and attr rmsd > 1.618 )
and bondedto( attr rmsd < 19.116 and attr rmsd > 18.516 ))
( attr rmsd < 7.088 and attr rmsd > 7.028 )
6 6 0 peak 10132 volume 60.04160 ppm1 1.648 ppm2 7.058
assi (( attr rmsd < 0.917 and attr rmsd > 0.857 )
and bondedto( attr rmsd < 18.75 and attr rmsd > 18.15 ))
( attr rmsd < 1.448 and attr rmsd > 1.388 )
6 6 0 peak 10192 volume 8.46730 ppm1 0.887 ppm2 1.418
assi (( attr rmsd < 0.89 and attr rmsd > 0.83 )
and bondedto( attr rmsd < 23.115 and attr rmsd > 22.515 ))
( attr rmsd < 6.892 and attr rmsd > 6.832 )
6 6 0 peak 10272 volume 19.37030 ppm1 0.860 ppm2 6.862
assi (( attr rmsd < 0.49 and attr rmsd > 0.43 )
and bondedto( attr rmsd < 22.622 and attr rmsd > 22.022 ))
( attr rmsd < 0.83 and attr rmsd > 0.77 )
6 6 0 peak 10302 volume 401.76859 ppm1 0.460 ppm2 0.800
assi (( attr rmsd < 4.925 and attr rmsd > 4.865 )
and bondedto( attr rmsd < 54.915 and attr rmsd > 54.315 ))
( attr rmsd < 7.071 and attr rmsd > 7.011 )
6 6 0 peak 10352 volume 13.78370 ppm1 4.895 ppm2 7.041
assi (( attr rmsd < 0.48 and attr rmsd > 0.42 )
and bondedto( attr rmsd < 13.008 and attr rmsd > 12.408 ))
( attr rmsd < 6.681 and attr rmsd > 6.621 )
6 6 0 peak 10532 volume 7.34730 ppm1 0.450 ppm2 6.651
assi (( attr rmsd < 0.475 and attr rmsd > 0.415 )
and bondedto( attr rmsd < 13.008 and attr rmsd > 12.408 ))
( attr rmsd < 7.096 and attr rmsd > 7.036 )
6 6 0 peak 10542 volume 14.76810 ppm1 0.445 ppm2 7.066
assi (( attr rmsd < 0.398 and attr rmsd > 0.338 )
and bondedto( attr rmsd < 25.334 and attr rmsd > 24.734 ))
( attr rmsd < 2.709 and attr rmsd > 2.649 )
6 6 0 peak 10552 volume 11.81860 ppm1 0.368 ppm2 2.679
assi (( attr rmsd < 3.582 and attr rmsd > 3.522 )
and bondedto( attr rmsd < 55.8 and attr rmsd > 55.2 ))
( attr rmsd < 2.511 and attr rmsd > 2.451 )
6 6 0 peak 10712 volume 7.94680 ppm1 3.552 ppm2 2.481
assi (( attr rmsd < 5.77 and attr rmsd > 5.71 )
and bondedto( attr rmsd < 50.231 and attr rmsd > 49.631 ))
( attr rmsd < 2.113 and attr rmsd > 2.053 )
6 6 0 peak 10752 volume 1.63500 ppm1 5.740 ppm2 2.083
assi (( attr rmsd < 1.556 and attr rmsd > 1.496 )
and bondedto( attr rmsd < 20.896 and attr rmsd > 20.296 ))
( attr rmsd < 4.514 and attr rmsd > 4.454 )
6 6 0 peak 10812 volume 28.60630 ppm1 1.526 ppm2 4.484
assi (( attr rmsd < 4.956 and attr rmsd > 4.896 )
and bondedto( attr rmsd < 58.12 and attr rmsd > 57.52 ))
( attr rmsd < 4.105 and attr rmsd > 4.045 )
6 6 0 peak 10852 volume 210.07570 ppm1 4.926 ppm2 4.075
assi (( attr rmsd < 5.507 and attr rmsd > 5.447 )
and bondedto( attr rmsd < 57.8 and attr rmsd > 57.2 ))
( attr rmsd < 3.502 and attr rmsd > 3.442 )
6 6 0 peak 10872 volume 13.22810 ppm1 5.477 ppm2 3.472
assi (( attr rmsd < 3.34 and attr rmsd > 3.28 )
and bondedto( attr rmsd < 68.227 and attr rmsd > 67.627 ))
( attr rmsd < 1.495 and attr rmsd > 1.435 )
6 6 0 peak 10882 volume 2.34400 ppm1 3.310 ppm2 1.465
assi (( attr rmsd < 5.654 and attr rmsd > 5.594 )
and bondedto( attr rmsd < 58.12 and attr rmsd > 57.52 ))
( attr rmsd < 3.521 and attr rmsd > 3.461 )
6 6 0 peak 10892 volume 6.36650 ppm1 5.624 ppm2 3.491
assi (( attr rmsd < 3.305 and attr rmsd > 3.245 )
and bondedto( attr rmsd < 31.496 and attr rmsd > 30.896 ))
( attr rmsd < 3.903 and attr rmsd > 3.843 )
6 6 0 peak 10992 volume 2.32010 ppm1 3.275 ppm2 3.873
assi (( attr rmsd < 5.121 and attr rmsd > 5.061 )
and bondedto( attr rmsd < 51.957 and attr rmsd > 51.357 ))
( attr rmsd < 1.997 and attr rmsd > 1.937 )
6 6 0 peak 11082 volume 4.50640 ppm1 5.091 ppm2 1.967
assi (( attr rmsd < 2.891 and attr rmsd > 2.831 )
and bondedto( attr rmsd < 38.3 and attr rmsd > 37.7 ))
( attr rmsd < 1.891 and attr rmsd > 1.831 )
6 6 0 peak 11212 volume 3.95950 ppm1 2.861 ppm2 1.861
assi (( attr rmsd < 2.886 and attr rmsd > 2.826 )
and bondedto( attr rmsd < 38.399 and attr rmsd > 37.799 ))
( attr rmsd < 1.519 and attr rmsd > 1.459 )
6 6 0 peak 11222 volume 11.40820 ppm1 2.856 ppm2 1.489
assi (( attr rmsd < 2.548 and attr rmsd > 2.488 )
and bondedto( attr rmsd < 37.84 and attr rmsd > 37.24 ))
( attr rmsd < 0.93 and attr rmsd > 0.87 )
6 6 0 peak 11322 volume 4.87220 ppm1 2.518 ppm2 0.900
assi (( attr rmsd < 3.812 and attr rmsd > 3.752 )
and bondedto( attr rmsd < 60.339 and attr rmsd > 59.739 ))
( attr rmsd < 1.742 and attr rmsd > 1.682 )
6 6 0 peak 11352 volume 18.89070 ppm1 3.782 ppm2 1.712
assi (( attr rmsd < 5.162 and attr rmsd > 5.102 )
and bondedto( attr rmsd < 69.36 and attr rmsd > 68.76 ))
( attr rmsd < 1.524 and attr rmsd > 1.464 )
6 6 0 peak 11492 volume 3.60180 ppm1 5.132 ppm2 1.494
assi (( attr rmsd < 2.538 and attr rmsd > 2.478 )
and bondedto( attr rmsd < 32.482 and attr rmsd > 31.882 ))
( attr rmsd < 4.644 and attr rmsd > 4.584 )
6 6 0 peak 11642 volume 126.00400 ppm1 2.508 ppm2 4.614
assi (( attr rmsd < 0.891 and attr rmsd > 0.831 )
and bondedto( attr rmsd < 23.115 and attr rmsd > 22.515 ))
( attr rmsd < 0.705 and attr rmsd > 0.645 )
6 6 0 peak 11822 volume 151.24940 ppm1 0.861 ppm2 0.675
assi (( attr rmsd < 0.999 and attr rmsd > 0.939 )
and bondedto( attr rmsd < 22.375 and attr rmsd > 21.775 ))
( attr rmsd < 7.075 and attr rmsd > 7.015 )
6 6 0 peak 11862 volume 65.11950 ppm1 0.969 ppm2 7.045
assi (( attr rmsd < 0.496 and attr rmsd > 0.436 )
and bondedto( attr rmsd < 22.622 and attr rmsd > 22.022 ))
( attr rmsd < 0.709 and attr rmsd > 0.649 )
6 6 0 peak 11902 volume 348.09109 ppm1 0.466 ppm2 0.679
assi (( attr rmsd < 0.49 and attr rmsd > 0.43 )
and bondedto( attr rmsd < 22.622 and attr rmsd > 22.022 ))
( attr rmsd < 2.307 and attr rmsd > 2.247 )
6 6 0 peak 11922 volume 10.92590 ppm1 0.460 ppm2 2.277
assi (( attr rmsd < -0.184 and attr rmsd > -0.244 )
and bondedto( attr rmsd < 20.8 and attr rmsd > 20.2 ))
( attr rmsd < 4.164 and attr rmsd > 4.104 )
6 6 0 peak 11962 volume 11.51260 ppm1 -0.214 ppm2 4.134
assi (( attr rmsd < 2.068 and attr rmsd > 2.008 )
and bondedto( attr rmsd < 34.208 and attr rmsd > 33.608 ))
( attr rmsd < 3.222 and attr rmsd > 3.162 )
6 6 0 peak 12032 volume 18.46810 ppm1 2.038 ppm2 3.192
assi (( attr rmsd < 1.97 and attr rmsd > 1.91 )
and bondedto( attr rmsd < 41.357 and attr rmsd > 40.757 ))
( attr rmsd < 1.473 and attr rmsd > 1.413 )
6 6 0 peak 12102 volume 4.83180 ppm1 1.940 ppm2 1.443
assi (( attr rmsd < 0.964 and attr rmsd > 0.904 )
and bondedto( attr rmsd < 25.52 and attr rmsd > 24.92 ))
( attr rmsd < 3.911 and attr rmsd > 3.851 )
6 6 0 peak 12112 volume 9.45500 ppm1 0.934 ppm2 3.881
assi (( attr rmsd < 0.944 and attr rmsd > 0.884 )
and bondedto( attr rmsd < 25.334 and attr rmsd > 24.734 ))
( attr rmsd < 1.479 and attr rmsd > 1.419 )
6 6 0 peak 12122 volume 118.91240 ppm1 0.914 ppm2 1.449
assi (( attr rmsd < 1.782 and attr rmsd > 1.722 )
and bondedto( attr rmsd < 26.26 and attr rmsd > 25.66 ))
( attr rmsd < 0.115 and attr rmsd > 0.055 )
6 6 0 peak 12292 volume 15.36330 ppm1 1.752 ppm2 0.085
assi (( attr rmsd < 4.14 and attr rmsd > 4.08 )
and bondedto( attr rmsd < 56.08 and attr rmsd > 55.48 ))
( attr rmsd < 1.379 and attr rmsd > 1.319 )
6 6 0 peak 12322 volume 7.01430 ppm1 4.110 ppm2 1.349
assi (( attr rmsd < 4.489 and attr rmsd > 4.429 )
and bondedto( attr rmsd < 52.45 and attr rmsd > 51.85 ))
( attr rmsd < 0.917 and attr rmsd > 0.857 )
6 6 0 peak 12432 volume 3.50980 ppm1 4.459 ppm2 0.887
assi (( attr rmsd < 5.401 and attr rmsd > 5.341 )
and bondedto( attr rmsd < 53.929 and attr rmsd > 53.329 ))
( attr rmsd < 2.174 and attr rmsd > 2.114 )
6 6 0 peak 12492 volume 12.73180 ppm1 5.371 ppm2 2.144
assi (( attr rmsd < 1.529 and attr rmsd > 1.469 )
and bondedto( attr rmsd < 44.315 and attr rmsd > 43.715 ))
( attr rmsd < 3.706 and attr rmsd > 3.646 )
6 6 0 peak 12502 volume 18.41750 ppm1 1.499 ppm2 3.676
assi (( attr rmsd < 1.64 and attr rmsd > 1.58 )
and bondedto( attr rmsd < 44.315 and attr rmsd > 43.715 ))
( attr rmsd < 3.698 and attr rmsd > 3.638 )
6 6 0 peak 12512 volume 9.45760 ppm1 1.610 ppm2 3.668
assi (( attr rmsd < 1.638 and attr rmsd > 1.578 )
and bondedto( attr rmsd < 44.315 and attr rmsd > 43.715 ))
( attr rmsd < 0.869 and attr rmsd > 0.809 )
6 6 0 peak 12522 volume 4.30060 ppm1 1.608 ppm2 0.839
assi (( attr rmsd < 1.529 and attr rmsd > 1.469 )
and bondedto( attr rmsd < 44.315 and attr rmsd > 43.715 ))
( attr rmsd < 0.87 and attr rmsd > 0.81 )
6 6 0 peak 12532 volume 36.39260 ppm1 1.499 ppm2 0.840
assi (( attr rmsd < 1.42 and attr rmsd > 1.36 )
and bondedto( attr rmsd < 29.031 and attr rmsd > 28.431 ))
( attr rmsd < 6.944 and attr rmsd > 6.884 )
6 6 0 peak 12712 volume 38.92960 ppm1 1.390 ppm2 6.914
assi (( attr rmsd < 1.446 and attr rmsd > 1.386 )
and bondedto( attr rmsd < 29.031 and attr rmsd > 28.431 ))
( attr rmsd < 4.922 and attr rmsd > 4.862 )
6 6 0 peak 12722 volume 16.05100 ppm1 1.416 ppm2 4.892
assi (( attr rmsd < 1.439 and attr rmsd > 1.379 )
and bondedto( attr rmsd < 29.031 and attr rmsd > 28.431 ))
( attr rmsd < 4.034 and attr rmsd > 3.974 )
6 6 0 peak 12732 volume 32.80830 ppm1 1.409 ppm2 4.004
assi (( attr rmsd < 1.416 and attr rmsd > 1.356 )
and bondedto( attr rmsd < 29.031 and attr rmsd > 28.431 ))
( attr rmsd < 1 and attr rmsd > 0.94 )
6 6 0 peak 12742 volume 108.62620 ppm1 1.386 ppm2 0.970
assi (( attr rmsd < 0.864 and attr rmsd > 0.804 )
and bondedto( attr rmsd < 24.841 and attr rmsd > 24.241 ))
( attr rmsd < 2.068 and attr rmsd > 2.008 )
6 6 0 peak 12832 volume 22.19350 ppm1 0.834 ppm2 2.038
assi (( attr rmsd < 1.727 and attr rmsd > 1.667 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 5.692 and attr rmsd > 5.632 )
6 6 0 peak 12882 volume 21.53990 ppm1 1.697 ppm2 5.662
assi (( attr rmsd < 1.727 and attr rmsd > 1.667 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 3.297 and attr rmsd > 3.237 )
6 6 0 peak 12892 volume 36.96960 ppm1 1.697 ppm2 3.267
assi (( attr rmsd < 1.725 and attr rmsd > 1.665 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 3.468 and attr rmsd > 3.408 )
6 6 0 peak 12902 volume 82.64790 ppm1 1.695 ppm2 3.438
assi (( attr rmsd < 1.783 and attr rmsd > 1.723 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 2.312 and attr rmsd > 2.252 )
6 6 0 peak 12922 volume 50.16900 ppm1 1.753 ppm2 2.282
assi (( attr rmsd < 1.723 and attr rmsd > 1.663 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 1.933 and attr rmsd > 1.873 )
6 6 0 peak 12932 volume 341.08630 ppm1 1.693 ppm2 1.903
assi (( attr rmsd < 1.725 and attr rmsd > 1.665 )
and bondedto( attr rmsd < 28.538 and attr rmsd > 27.938 ))
( attr rmsd < 1.507 and attr rmsd > 1.447 )
6 6 0 peak 12942 volume 75.36250 ppm1 1.695 ppm2 1.477
assi (( attr rmsd < 1.002 and attr rmsd > 0.942 )
and bondedto( attr rmsd < 25.24 and attr rmsd > 24.64 ))
( attr rmsd < 6.946 and attr rmsd > 6.886 )
6 6 0 peak 12972 volume 10.34320 ppm1 0.972 ppm2 6.916
assi (( attr rmsd < 4.956 and attr rmsd > 4.896 )
and bondedto( attr rmsd < 59.1 and attr rmsd > 58.5 ))
( attr rmsd < 3.226 and attr rmsd > 3.166 )
6 6 0 peak 13002 volume 15.05330 ppm1 4.926 ppm2 3.196
assi (( attr rmsd < 0.941 and attr rmsd > 0.881 )
and bondedto( attr rmsd < 15.14 and attr rmsd > 14.54 ))
( attr rmsd < 1.406 and attr rmsd > 1.346 )
6 6 0 peak 13102 volume 7.26830 ppm1 0.911 ppm2 1.376
assi (( attr rmsd < 0.632 and attr rmsd > 0.572 )
and bondedto( attr rmsd < 28.785 and attr rmsd > 28.185 ))
( attr rmsd < 1.412 and attr rmsd > 1.352 )
6 6 0 peak 13402 volume 22.82210 ppm1 0.602 ppm2 1.382
assi (( attr rmsd < 0.426 and attr rmsd > 0.366 )
and bondedto( attr rmsd < 14.687 and attr rmsd > 14.087 ))
( attr rmsd < 2.031 and attr rmsd > 1.971 )
6 6 0 peak 13622 volume 19.64680 ppm1 0.396 ppm2 2.001
assi (( attr rmsd < 2.288 and attr rmsd > 2.228 )
and bondedto( attr rmsd < 39.138 and attr rmsd > 38.538 ))
( attr rmsd < 3.086 and attr rmsd > 3.026 )
6 6 0 peak 13642 volume 5.26340 ppm1 2.258 ppm2 3.056
assi (( attr rmsd < 4.43 and attr rmsd > 4.37 )
and bondedto( attr rmsd < 61.571 and attr rmsd > 60.971 ))
( attr rmsd < 5.378 and attr rmsd > 5.318 )
6 6 0 peak 13702 volume 2.62420 ppm1 4.400 ppm2 5.348
assi (( attr rmsd < 1.124 and attr rmsd > 1.064 )
and bondedto( attr rmsd < 18.431 and attr rmsd > 17.831 ))
( attr rmsd < 0.475 and attr rmsd > 0.415 )
6 6 0 peak 13932 volume 14.20590 ppm1 1.094 ppm2 0.445
assi (( attr rmsd < 0.752 and attr rmsd > 0.692 )
and bondedto( attr rmsd < 18.678 and attr rmsd > 18.078 ))
( attr rmsd < 1.114 and attr rmsd > 1.054 )
6 6 0 peak 14062 volume 76.61740 ppm1 0.722 ppm2 1.084
assi (( attr rmsd < 0.709 and attr rmsd > 0.649 )
and bondedto( attr rmsd < 15.42 and attr rmsd > 14.82 ))
( attr rmsd < 2.314 and attr rmsd > 2.254 )
6 6 0 peak 14132 volume 5.52370 ppm1 0.679 ppm2 2.284
assi (( attr rmsd < 0.708 and attr rmsd > 0.648 )
and bondedto( attr rmsd < 15.47 and attr rmsd > 14.87 ))
( attr rmsd < 2.147 and attr rmsd > 2.087 )
6 6 0 peak 14142 volume 98.76070 ppm1 0.678 ppm2 2.117
assi (( attr rmsd < 0.709 and attr rmsd > 0.649 )
and bondedto( attr rmsd < 15.47 and attr rmsd > 14.87 ))
( attr rmsd < 0.487 and attr rmsd > 0.427 )
6 6 0 peak 14162 volume 238.96460 ppm1 0.679 ppm2 0.457
assi (( attr rmsd < 1.143 and attr rmsd > 1.083 )
and bondedto( attr rmsd < 26.32 and attr rmsd > 25.72 ))
( attr rmsd < 3.086 and attr rmsd > 3.026 )
6 6 0 peak 14382 volume 16.57880 ppm1 1.113 ppm2 3.056
assi (( attr rmsd < 1.163 and attr rmsd > 1.103 )
and bondedto( attr rmsd < 26.32 and attr rmsd > 25.72 ))
( attr rmsd < 1.502 and attr rmsd > 1.442 )
6 6 0 peak 14402 volume 27.25280 ppm1 1.133 ppm2 1.472
assi (( attr rmsd < 4.925 and attr rmsd > 4.865 )
and bondedto( attr rmsd < 54.915 and attr rmsd > 54.315 ))
( attr rmsd < 7.322 and attr rmsd > 7.262 )
6 6 0 peak 14462 volume 4.07080 ppm1 4.895 ppm2 7.292
assi (( attr rmsd < 2.093 and attr rmsd > 2.033 )
and bondedto( attr rmsd < 32.729 and attr rmsd > 32.129 ))
( attr rmsd < 2.794 and attr rmsd > 2.734 )
6 6 0 peak 14752 volume 7.13370 ppm1 2.063 ppm2 2.764
assi (( attr rmsd < 2.113 and attr rmsd > 2.053 )
and bondedto( attr rmsd < 32.729 and attr rmsd > 32.129 ))
( attr rmsd < 0.594 and attr rmsd > 0.534 )
6 6 0 peak 14812 volume 29.16670 ppm1 2.083 ppm2 0.564
assi (( attr rmsd < 2.073 and attr rmsd > 2.013 )
and bondedto( attr rmsd < 32.729 and attr rmsd > 32.129 ))
( attr rmsd < 0.405 and attr rmsd > 0.345 )
6 6 0 peak 14822 volume 17.18740 ppm1 2.043 ppm2 0.375
assi (( attr rmsd < 1.661 and attr rmsd > 1.601 )
and bondedto( attr rmsd < 25.49 and attr rmsd > 24.89 ))
( attr rmsd < 6.674 and attr rmsd > 6.614 )
6 6 0 peak 14832 volume 7.53780 ppm1 1.631 ppm2 6.644
assi (( attr rmsd < 1.74 and attr rmsd > 1.68 )
and bondedto( attr rmsd < 35.194 and attr rmsd > 34.594 ))
( attr rmsd < 7.318 and attr rmsd > 7.258 )
6 6 0 peak 15142 volume 17.15570 ppm1 1.710 ppm2 7.288
assi (( attr rmsd < 1.747 and attr rmsd > 1.687 )
and bondedto( attr rmsd < 35.194 and attr rmsd > 34.594 ))
( attr rmsd < 5.429 and attr rmsd > 5.369 )
6 6 0 peak 15162 volume 14.44640 ppm1 1.717 ppm2 5.399
assi (( attr rmsd < 1.754 and attr rmsd > 1.694 )
and bondedto( attr rmsd < 30.017 and attr rmsd > 29.417 ))
( attr rmsd < 2.913 and attr rmsd > 2.853 )
6 6 0 peak 15242 volume 31.95480 ppm1 1.724 ppm2 2.883
assi (( attr rmsd < 3.212 and attr rmsd > 3.152 )
and bondedto( attr rmsd < 42.52 and attr rmsd > 41.92 ))
( attr rmsd < 1.918 and attr rmsd > 1.858 )
6 6 0 peak 15342 volume 549.04053 ppm1 3.182 ppm2 1.888
assi (( attr rmsd < 2.311 and attr rmsd > 2.251 )
and bondedto( attr rmsd < 33.87 and attr rmsd > 33.27 ))
( attr rmsd < 3.555 and attr rmsd > 3.495 )
6 6 0 peak 15402 volume 56.04600 ppm1 2.281 ppm2 3.525
assi (( attr rmsd < 3.556 and attr rmsd > 3.496 )
and bondedto( attr rmsd < 43.975 and attr rmsd > 43.375 ))
( attr rmsd < 0.883 and attr rmsd > 0.823 )
6 6 0 peak 15422 volume 17.29490 ppm1 3.526 ppm2 0.853
assi (( attr rmsd < 4.533 and attr rmsd > 4.473 )
and bondedto( attr rmsd < 57.04 and attr rmsd > 56.44 ))
( attr rmsd < 7.332 and attr rmsd > 7.272 )
6 6 0 peak 15432 volume 23.40600 ppm1 4.503 ppm2 7.302
assi (( attr rmsd < 3.246 and attr rmsd > 3.186 )
and bondedto( attr rmsd < 44.069 and attr rmsd > 43.469 ))
( attr rmsd < 5.364 and attr rmsd > 5.304 )
6 6 0 peak 15722 volume 10.99040 ppm1 3.216 ppm2 5.334
assi (( attr rmsd < 3.114 and attr rmsd > 3.054 )
and bondedto( attr rmsd < 44.069 and attr rmsd > 43.469 ))
( attr rmsd < 2.132 and attr rmsd > 2.072 )
6 6 0 peak 15742 volume 55.96180 ppm1 3.084 ppm2 2.102
assi (( attr rmsd < 5.126 and attr rmsd > 5.066 )
and bondedto( attr rmsd < 55.162 and attr rmsd > 54.562 ))
( attr rmsd < 7.121 and attr rmsd > 7.061 )
6 6 0 peak 15812 volume 7.38260 ppm1 5.096 ppm2 7.091
assi (( attr rmsd < 1.405 and attr rmsd > 1.345 )
and bondedto( attr rmsd < 35.13 and attr rmsd > 34.53 ))
( attr rmsd < 1.735 and attr rmsd > 1.675 )
6 6 0 peak 15892 volume 12.87440 ppm1 1.375 ppm2 1.705
assi (( attr rmsd < 5.626 and attr rmsd > 5.566 )
and bondedto( attr rmsd < 55.901 and attr rmsd > 55.301 ))
( attr rmsd < 1.514 and attr rmsd > 1.454 )
6 6 0 peak 16092 volume 21.71140 ppm1 5.596 ppm2 1.484
assi (( attr rmsd < 3.177 and attr rmsd > 3.117 )
and bondedto( attr rmsd < 30.7 and attr rmsd > 30.1 ))
( attr rmsd < 0.119 and attr rmsd > 0.059 )
6 6 0 peak 16182 volume 4.95420 ppm1 3.147 ppm2 0.089
assi (( attr rmsd < 5.623 and attr rmsd > 5.563 )
and bondedto( attr rmsd < 55.901 and attr rmsd > 55.301 ))
( attr rmsd < 7.314 and attr rmsd > 7.254 )
6 6 0 peak 16482 volume 7.14840 ppm1 5.593 ppm2 7.284
assi (( attr rmsd < 4.519 and attr rmsd > 4.459 )
and bondedto( attr rmsd < 57.31 and attr rmsd > 56.71 ))
( attr rmsd < 4.7 and attr rmsd > 4.64 )
6 6 0 peak 16642 volume 37.47540 ppm1 4.489 ppm2 4.670
assi (( attr rmsd < 3.691 and attr rmsd > 3.631 )
and bondedto( attr rmsd < 56.82 and attr rmsd > 56.22 ))
( attr rmsd < 1.355 and attr rmsd > 1.295 )
6 6 0 peak 16672 volume 21.59530 ppm1 3.661 ppm2 1.325
assi (( attr rmsd < 2.085 and attr rmsd > 2.025 )
and bondedto( attr rmsd < 27.25 and attr rmsd > 26.65 ))
( attr rmsd < 1.044 and attr rmsd > 0.984 )
6 6 0 peak 17322 volume 10.27160 ppm1 2.055 ppm2 1.014
assi (( attr rmsd < 1.676 and attr rmsd > 1.616 )
and bondedto( attr rmsd < 32.482 and attr rmsd > 31.882 ))
( attr rmsd < 1 and attr rmsd > 0.94 )
6 6 0 peak 17412 volume 19.19480 ppm1 1.646 ppm2 0.970
assi (( attr rmsd < 4.67 and attr rmsd > 4.61 )
and bondedto( attr rmsd < 51.957 and attr rmsd > 51.357 ))
( attr rmsd < 3.186 and attr rmsd > 3.126 )
6 6 0 peak 17442 volume 16.98130 ppm1 4.640 ppm2 3.156
assi (( attr rmsd < 4.676 and attr rmsd > 4.616 )
and bondedto( attr rmsd < 51.957 and attr rmsd > 51.357 ))
( attr rmsd < 3.086 and attr rmsd > 3.026 )
6 6 0 peak 17452 volume 15.48090 ppm1 4.646 ppm2 3.056
assi (( attr rmsd < 4.674 and attr rmsd > 4.614 )
and bondedto( attr rmsd < 51.957 and attr rmsd > 51.357 ))
( attr rmsd < 1.894 and attr rmsd > 1.834 )
6 6 0 peak 17462 volume 6.40890 ppm1 4.644 ppm2 1.864
assi (( attr rmsd < 4.672 and attr rmsd > 4.612 )
and bondedto( attr rmsd < 51.957 and attr rmsd > 51.357 ))
( attr rmsd < 1.781 and attr rmsd > 1.721 )
6 6 0 peak 17472 volume 7.41050 ppm1 4.642 ppm2 1.751
assi (( attr rmsd < 4.019 and attr rmsd > 3.959 )
and bondedto( attr rmsd < 58.12 and attr rmsd > 57.52 ))
( attr rmsd < 0.999 and attr rmsd > 0.939 )
6 6 0 peak 17542 volume 13.22460 ppm1 3.989 ppm2 0.969
assi (( attr rmsd < 1.432 and attr rmsd > 1.372 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 2.932 and attr rmsd > 2.872 )
6 6 0 peak 17572 volume 30.12750 ppm1 1.402 ppm2 2.902
assi (( attr rmsd < 1.432 and attr rmsd > 1.372 )
and bondedto( attr rmsd < 25.334 and attr rmsd > 24.734 ))
( attr rmsd < 6.944 and attr rmsd > 6.884 )
6 6 0 peak 17632 volume 15.57190 ppm1 1.402 ppm2 6.914
assi (( attr rmsd < 4.438 and attr rmsd > 4.378 )
and bondedto( attr rmsd < 56.641 and attr rmsd > 56.041 ))
( attr rmsd < 1.863 and attr rmsd > 1.803 )
6 6 0 peak 17752 volume 51.45920 ppm1 4.408 ppm2 1.833
assi (( attr rmsd < 1.946 and attr rmsd > 1.886 )
and bondedto( attr rmsd < 31.003 and attr rmsd > 30.403 ))
( attr rmsd < 3.197 and attr rmsd > 3.137 )
6 6 0 peak 17782 volume 5.17760 ppm1 1.916 ppm2 3.167
assi (( attr rmsd < 5.401 and attr rmsd > 5.341 )
and bondedto( attr rmsd < 55.162 and attr rmsd > 54.562 ))
( attr rmsd < 2.152 and attr rmsd > 2.092 )
6 6 0 peak 18662 volume 14.15060 ppm1 5.371 ppm2 2.122
assi (( attr rmsd < 1.46 and attr rmsd > 1.4 )
and bondedto( attr rmsd < 37.166 and attr rmsd > 36.566 ))
( attr rmsd < 1.986 and attr rmsd > 1.926 )
6 6 0 peak 18842 volume 9.09500 ppm1 1.430 ppm2 1.956
assi (( attr rmsd < 1.739 and attr rmsd > 1.679 )
and bondedto( attr rmsd < 39.077 and attr rmsd > 38.477 ))
( attr rmsd < 1.116 and attr rmsd > 1.056 )
6 6 0 peak 18872 volume 5.91300 ppm1 1.709 ppm2 1.086
assi (( attr rmsd < 1.516 and attr rmsd > 1.456 )
and bondedto( attr rmsd < 24.101 and attr rmsd > 23.501 ))
( attr rmsd < 1.889 and attr rmsd > 1.829 )
6 6 0 peak 18992 volume 51.49790 ppm1 1.486 ppm2 1.859
assi (( attr rmsd < 1.516 and attr rmsd > 1.456 )
and bondedto( attr rmsd < 24.101 and attr rmsd > 23.501 ))
( attr rmsd < 0.719 and attr rmsd > 0.659 )
6 6 0 peak 19032 volume 1.67440 ppm1 1.486 ppm2 0.689
assi (( attr rmsd < 4.637 and attr rmsd > 4.577 )
and bondedto( attr rmsd < 62.954 and attr rmsd > 62.354 ))
( attr rmsd < 3.876 and attr rmsd > 3.816 )
6 6 0 peak 19532 volume 2.55930 ppm1 4.607 ppm2 3.846
assi (( attr rmsd < 4.447 and attr rmsd > 4.387 )
and bondedto( attr rmsd < 61.721 and attr rmsd > 61.121 ))
( attr rmsd < 1.733 and attr rmsd > 1.673 )
6 6 0 peak 19542 volume 6.36230 ppm1 4.417 ppm2 1.703
assi (( attr rmsd < 0.947 and attr rmsd > 0.887 )
and bondedto( attr rmsd < 15.138 and attr rmsd > 14.538 ))
( attr rmsd < 7.536 and attr rmsd > 7.476 )
6 6 0 peak 19552 volume 11.28430 ppm1 0.917 ppm2 7.506
assi (( attr rmsd < 3.929 and attr rmsd > 3.869 )
and bondedto( attr rmsd < 55.806 and attr rmsd > 55.206 ))
( attr rmsd < 0.996 and attr rmsd > 0.936 )
6 6 0 peak 19572 volume 3.31520 ppm1 3.899 ppm2 0.966
assi (( attr rmsd < 2.312 and attr rmsd > 2.252 )
and bondedto( attr rmsd < 41.511 and attr rmsd > 40.911 ))
( attr rmsd < 3.053 and attr rmsd > 2.993 )
6 6 0 peak 19592 volume 7.51280 ppm1 2.282 ppm2 3.023
assi (( attr rmsd < 1.829 and attr rmsd > 1.769 )
and bondedto( attr rmsd < 29.433 and attr rmsd > 28.833 ))
( attr rmsd < 6.675 and attr rmsd > 6.615 )
6 6 0 peak 19612 volume 1.32130 ppm1 1.799 ppm2 6.645
assi (( attr rmsd < 2.11 and attr rmsd > 2.05 )
and bondedto( attr rmsd < 32.638 and attr rmsd > 32.038 ))
( attr rmsd < 7.263 and attr rmsd > 7.203 )
6 6 0 peak 19622 volume 6.19850 ppm1 2.080 ppm2 7.233
assi (( attr rmsd < 2.449 and attr rmsd > 2.389 )
and bondedto( attr rmsd < 34.116 and attr rmsd > 33.516 ))
( attr rmsd < 1.291 and attr rmsd > 1.231 )
6 6 0 peak 19632 volume 14.44410 ppm1 2.419 ppm2 1.261
assi (( attr rmsd < 2.453 and attr rmsd > 2.393 )
and bondedto( attr rmsd < 34.116 and attr rmsd > 33.516 ))
( attr rmsd < 1.475 and attr rmsd > 1.415 )
6 6 0 peak 19642 volume 101.85990 ppm1 2.423 ppm2 1.445
assi (( attr rmsd < 1.312 and attr rmsd > 1.252 )
and bondedto( attr rmsd < 22.039 and attr rmsd > 21.439 ))
( attr rmsd < 2.489 and attr rmsd > 2.429 )
6 6 0 peak 19652 volume 8.51320 ppm1 1.282 ppm2 2.459
assi (( attr rmsd < 0.947 and attr rmsd > 0.887 )
and bondedto( attr rmsd < 26.51 and attr rmsd > 25.91 ))
( attr rmsd < 6.943 and attr rmsd > 6.883 )
6 6 0 peak 19662 volume 4.31870 ppm1 0.917 ppm2 6.913
assi (( attr rmsd < 4.425 and attr rmsd > 4.365 )
and bondedto( attr rmsd < 56.299 and attr rmsd > 55.699 ))
( attr rmsd < 7.186 and attr rmsd > 7.126 )
6 6 0 peak 19682 volume 4.43620 ppm1 4.395 ppm2 7.156
assi (( attr rmsd < 3.274 and attr rmsd > 3.214 )
and bondedto( attr rmsd < 43.975 and attr rmsd > 43.375 ))
( attr rmsd < 6.944 and attr rmsd > 6.884 )
6 6 0 peak 19712 volume 10.55710 ppm1 3.244 ppm2 6.914
assi (( attr rmsd < 1.491 and attr rmsd > 1.431 )
and bondedto( attr rmsd < 27.215 and attr rmsd > 26.615 ))
( attr rmsd < 5.025 and attr rmsd > 4.965 )
6 6 0 peak 19722 volume 3.17140 ppm1 1.461 ppm2 4.995
assi (( attr rmsd < 0.905 and attr rmsd > 0.845 )
and bondedto( attr rmsd < 26.23 and attr rmsd > 25.63 ))
( attr rmsd < 5.052 and attr rmsd > 4.992 )
6 6 0 peak 19732 volume 6.49780 ppm1 0.875 ppm2 5.022
assi (( attr rmsd < 3.944 and attr rmsd > 3.884 )
and bondedto( attr rmsd < 72.566 and attr rmsd > 71.966 ))
( attr rmsd < 5.355 and attr rmsd > 5.295 )
6 6 0 peak 19742 volume 2.84190 ppm1 3.914 ppm2 5.325
assi (( attr rmsd < 4.081 and attr rmsd > 4.021 )
and bondedto( attr rmsd < 64.186 and attr rmsd > 63.586 ))
( attr rmsd < 5.088 and attr rmsd > 5.028 )
6 6 0 peak 19752 volume 25.59350 ppm1 4.051 ppm2 5.058
assi (( attr rmsd < 2.155 and attr rmsd > 2.095 )
and bondedto( attr rmsd < 20.067 and attr rmsd > 19.467 ))
( attr rmsd < 5.69 and attr rmsd > 5.63 )
6 6 0 peak 19792 volume 11.98690 ppm1 2.125 ppm2 5.660
assi (( attr rmsd < 1.892 and attr rmsd > 1.832 )
and bondedto( attr rmsd < 29.926 and attr rmsd > 29.326 ))
( attr rmsd < 2.913 and attr rmsd > 2.853 )
6 6 0 peak 19802 volume 9.34620 ppm1 1.862 ppm2 2.883
assi (( attr rmsd < 1.883 and attr rmsd > 1.823 )
and bondedto( attr rmsd < 29.926 and attr rmsd > 29.326 ))
( attr rmsd < 4.689 and attr rmsd > 4.629 )
6 6 0 peak 19812 volume 6.23070 ppm1 1.853 ppm2 4.659
assi (( attr rmsd < 1.605 and attr rmsd > 1.545 )
and bondedto( attr rmsd < 29.433 and attr rmsd > 28.833 ))
( attr rmsd < 5.393 and attr rmsd > 5.333 )
6 6 0 peak 19822 volume 8.89240 ppm1 1.575 ppm2 5.363
assi (( attr rmsd < 1.845 and attr rmsd > 1.785 )
and bondedto( attr rmsd < 33.87 and attr rmsd > 33.27 ))
( attr rmsd < 3.224 and attr rmsd > 3.164 )
6 6 0 peak 19832 volume 12.59310 ppm1 1.815 ppm2 3.194
assi (( attr rmsd < 0.842 and attr rmsd > 0.782 )
and bondedto( attr rmsd < 25.52 and attr rmsd > 24.92 ))
( attr rmsd < 3.921 and attr rmsd > 3.861 )
6 6 0 peak 19852 volume 10.16510 ppm1 0.812 ppm2 3.891
assi (( attr rmsd < 4.143 and attr rmsd > 4.083 )
and bondedto( attr rmsd < 56.053 and attr rmsd > 55.453 ))
( attr rmsd < 7.015 and attr rmsd > 6.955 )
6 6 0 peak 19912 volume 3.81160 ppm1 4.113 ppm2 6.985
assi (( attr rmsd < 0.4 and attr rmsd > 0.34 )
and bondedto( attr rmsd < 23.272 and attr rmsd > 22.672 ))
( attr rmsd < 2.146 and attr rmsd > 2.086 )
6 6 0 peak 19922 volume 8.47760 ppm1 0.370 ppm2 2.116
assi (( attr rmsd < 0.4 and attr rmsd > 0.34 )
and bondedto( attr rmsd < 23.272 and attr rmsd > 22.672 ))
( attr rmsd < 7.121 and attr rmsd > 7.061 )
6 6 0 peak 19932 volume 8.72590 ppm1 0.370 ppm2 7.091
assi (( attr rmsd < 2.539 and attr rmsd > 2.479 )
and bondedto( attr rmsd < 35.63 and attr rmsd > 35.03 ))
( attr rmsd < 1.895 and attr rmsd > 1.835 )
6 6 0 peak 19942 volume 28.07550 ppm1 2.509 ppm2 1.865
assi (( attr rmsd < 1.751 and attr rmsd > 1.691 )
and bondedto( attr rmsd < 39.1 and attr rmsd > 38.5 ))
( attr rmsd < 1.35 and attr rmsd > 1.29 )
6 6 0 peak 19972 volume 7.99040 ppm1 1.721 ppm2 1.320
assi (( attr rmsd < 1.052 and attr rmsd > 0.992 )
and bondedto( attr rmsd < 27.462 and attr rmsd > 26.862 ))
( attr rmsd < 1.838 and attr rmsd > 1.778 )
6 6 0 peak 19982 volume 8.33280 ppm1 1.022 ppm2 1.808
assi (( attr rmsd < 2.53 and attr rmsd > 2.47 )
and bondedto( attr rmsd < 44.222 and attr rmsd > 43.622 ))
( attr rmsd < 1.504 and attr rmsd > 1.444 )
6 6 0 peak 19992 volume 9.42020 ppm1 2.500 ppm2 1.474
assi (( attr rmsd < 0.904 and attr rmsd > 0.844 )
and bondedto( attr rmsd < 24.504 and attr rmsd > 23.904 ))
( attr rmsd < 4.979 and attr rmsd > 4.919 )
6 6 0 peak 20002 volume 9.43920 ppm1 0.874 ppm2 4.949
assi (( attr rmsd < 4.656 and attr rmsd > 4.596 )
and bondedto( attr rmsd < 58.764 and attr rmsd > 58.164 ))
( attr rmsd < 2.829 and attr rmsd > 2.769 )
6 6 0 peak 20012 volume 11.22240 ppm1 4.626 ppm2 2.799
assi (( attr rmsd < 0.796 and attr rmsd > 0.736 )
and bondedto( attr rmsd < 17.603 and attr rmsd > 17.003 ))
( attr rmsd < 4.853 and attr rmsd > 4.793 )
6 6 0 peak 20052 volume 1.88720 ppm1 0.766 ppm2 4.823
assi (( attr rmsd < 0.471 and attr rmsd > 0.411 )
and bondedto( attr rmsd < 12.92 and attr rmsd > 12.32 ))
( attr rmsd < 0.938 and attr rmsd > 0.878 )
6 6 0 peak 20062 volume 8.59350 ppm1 0.441 ppm2 0.908
assi (( attr rmsd < 0.111 and attr rmsd > 0.051 )
and bondedto( attr rmsd < 18.623 and attr rmsd > 18.023 ))
( attr rmsd < 0.962 and attr rmsd > 0.902 )
6 6 0 peak 20072 volume 4.95310 ppm1 0.081 ppm2 0.932
assi (( attr rmsd < 0.397 and attr rmsd > 0.337 )
and bondedto( attr rmsd < 23.305 and attr rmsd > 22.705 ))
( attr rmsd < 8.328 and attr rmsd > 8.268 )
6 6 0 peak 20102 volume 7.57870 ppm1 0.367 ppm2 8.298
assi (( attr rmsd < 3.945 and attr rmsd > 3.885 )
and bondedto( attr rmsd < 55.835 and attr rmsd > 55.235 ))
( attr rmsd < 1.746 and attr rmsd > 1.686 )
6 6 0 peak 20112 volume 10.15400 ppm1 3.915 ppm2 1.716
assi (( attr rmsd < 2.537 and attr rmsd > 2.477 )
and bondedto( attr rmsd < 32.67 and attr rmsd > 32.07 ))
( attr rmsd < 6.932 and attr rmsd > 6.872 )
6 6 0 peak 20132 volume 3.43130 ppm1 2.507 ppm2 6.902
assi (( attr rmsd < 3.634 and attr rmsd > 3.574 )
and bondedto( attr rmsd < 41.541 and attr rmsd > 40.941 ))
( attr rmsd < 7.527 and attr rmsd > 7.467 )
6 6 0 peak 20172 volume 3.59320 ppm1 3.604 ppm2 7.497
assi (( attr rmsd < 5.69 and attr rmsd > 5.63 )
and bondedto( attr rmsd < 59.531 and attr rmsd > 58.931 ))
( attr rmsd < 0.705 and attr rmsd > 0.645 )
6 6 0 peak 20302 volume 7.70750 ppm1 5.660 ppm2 0.675
assi (( attr rmsd < 5.695 and attr rmsd > 5.635 )
and bondedto( attr rmsd < 59.531 and attr rmsd > 58.931 ))
( attr rmsd < 0.365 and attr rmsd > 0.305 )
6 6 0 peak 20332 volume 7.18700 ppm1 5.665 ppm2 0.335
assi (( attr rmsd < 0.892 and attr rmsd > 0.832 )
and bondedto( attr rmsd < 23.059 and attr rmsd > 22.459 ))
( attr rmsd < 5.162 and attr rmsd > 5.102 )
6 6 0 peak 20352 volume 11.96120 ppm1 0.862 ppm2 5.132
assi (( attr rmsd < 0.941 and attr rmsd > 0.881 )
and bondedto( attr rmsd < 15.173 and attr rmsd > 14.573 ))
( attr rmsd < 2.625 and attr rmsd > 2.565 )
6 6 0 peak 20412 volume 3.51240 ppm1 0.911 ppm2 2.595
assi (( attr rmsd < 2.133 and attr rmsd > 2.073 )
and bondedto( attr rmsd < 32.67 and attr rmsd > 32.07 ))
( attr rmsd < 0.747 and attr rmsd > 0.687 )
6 6 0 peak 20422 volume 6.31970 ppm1 2.103 ppm2 0.717
assi (( attr rmsd < 5.163 and attr rmsd > 5.103 )
and bondedto( attr rmsd < 61.996 and attr rmsd > 61.396 ))
( attr rmsd < 0.742 and attr rmsd > 0.682 )
6 6 0 peak 20432 volume 10.42760 ppm1 5.133 ppm2 0.712
assi (( attr rmsd < 1.246 and attr rmsd > 1.186 )
and bondedto( attr rmsd < 29.22 and attr rmsd > 28.62 ))
( attr rmsd < 2.376 and attr rmsd > 2.316 )
6 6 0 peak 20452 volume 24.59140 ppm1 1.216 ppm2 2.346
assi (( attr rmsd < 2.593 and attr rmsd > 2.533 )
and bondedto( attr rmsd < 42.281 and attr rmsd > 41.681 ))
( attr rmsd < 3.067 and attr rmsd > 3.007 )
6 6 0 peak 20482 volume 13.28940 ppm1 2.563 ppm2 3.037
assi (( attr rmsd < 1.685 and attr rmsd > 1.625 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 1.085 and attr rmsd > 1.025 )
6 6 0 peak 20512 volume 19.51730 ppm1 1.655 ppm2 1.055
assi (( attr rmsd < 1.687 and attr rmsd > 1.627 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 4.162 and attr rmsd > 4.102 )
6 6 0 peak 20522 volume 23.13940 ppm1 1.657 ppm2 4.132
assi (( attr rmsd < 4.358 and attr rmsd > 4.298 )
and bondedto( attr rmsd < 55.835 and attr rmsd > 55.235 ))
( attr rmsd < 0.803 and attr rmsd > 0.743 )
6 6 0 peak 20552 volume 6.88850 ppm1 4.328 ppm2 0.773
assi (( attr rmsd < 4.356 and attr rmsd > 4.296 )
and bondedto( attr rmsd < 55.835 and attr rmsd > 55.235 ))
( attr rmsd < 3.913 and attr rmsd > 3.853 )
6 6 0 peak 20562 volume 7.52170 ppm1 4.326 ppm2 3.883
assi (( attr rmsd < 1 and attr rmsd > 0.94 )
and bondedto( attr rmsd < 22.326 and attr rmsd > 21.726 ))
( attr rmsd < 7.262 and attr rmsd > 7.202 )
6 6 0 peak 20582 volume 5.77200 ppm1 0.970 ppm2 7.232
assi (( attr rmsd < 3.705 and attr rmsd > 3.645 )
and bondedto( attr rmsd < 44.499 and attr rmsd > 43.899 ))
( attr rmsd < 4.168 and attr rmsd > 4.108 )
6 6 0 peak 20592 volume 4.34370 ppm1 3.675 ppm2 4.138
assi (( attr rmsd < 3.699 and attr rmsd > 3.639 )
and bondedto( attr rmsd < 44.74 and attr rmsd > 44.14 ))
( attr rmsd < 3.437 and attr rmsd > 3.377 )
6 6 0 peak 20602 volume 10.07780 ppm1 3.669 ppm2 3.407
assi (( attr rmsd < 3.702 and attr rmsd > 3.642 )
and bondedto( attr rmsd < 44.74 and attr rmsd > 44.14 ))
( attr rmsd < 3.238 and attr rmsd > 3.178 )
6 6 0 peak 20612 volume 7.99060 ppm1 3.672 ppm2 3.208
assi (( attr rmsd < 4.586 and attr rmsd > 4.526 )
and bondedto( attr rmsd < 44.499 and attr rmsd > 43.899 ))
( attr rmsd < 3.586 and attr rmsd > 3.526 )
6 6 0 peak 20642 volume 13.46890 ppm1 4.556 ppm2 3.556
assi (( attr rmsd < 4.945 and attr rmsd > 4.885 )
and bondedto( attr rmsd < 58.54 and attr rmsd > 57.94 ))
( attr rmsd < 5.391 and attr rmsd > 5.331 )
6 6 0 peak 20672 volume 7.10470 ppm1 4.915 ppm2 5.361
assi (( attr rmsd < 1.422 and attr rmsd > 1.362 )
and bondedto( attr rmsd < 33.163 and attr rmsd > 32.563 ))
( attr rmsd < 0.715 and attr rmsd > 0.655 )
6 6 0 peak 20692 volume 6.49330 ppm1 1.392 ppm2 0.685
assi (( attr rmsd < -0.167 and attr rmsd > -0.227 )
and bondedto( attr rmsd < 20.841 and attr rmsd > 20.241 ))
( attr rmsd < 3.112 and attr rmsd > 3.052 )
6 6 0 peak 20702 volume 4.47090 ppm1 -0.197 ppm2 3.082
assi (( attr rmsd < 5.156 and attr rmsd > 5.096 )
and bondedto( attr rmsd < 56.328 and attr rmsd > 55.728 ))
( attr rmsd < 1.498 and attr rmsd > 1.438 )
6 6 0 peak 20762 volume 8.16430 ppm1 5.126 ppm2 1.468
assi (( attr rmsd < 3.997 and attr rmsd > 3.937 )
and bondedto( attr rmsd < 64.214 and attr rmsd > 63.614 ))
( attr rmsd < 2.274 and attr rmsd > 2.214 )
6 6 0 peak 20782 volume 2.80340 ppm1 3.967 ppm2 2.244
assi (( attr rmsd < 3.999 and attr rmsd > 3.939 )
and bondedto( attr rmsd < 64.214 and attr rmsd > 63.614 ))
( attr rmsd < 3.558 and attr rmsd > 3.498 )
6 6 0 peak 20792 volume 6.21460 ppm1 3.969 ppm2 3.528
assi (( attr rmsd < 1.495 and attr rmsd > 1.435 )
and bondedto( attr rmsd < 33.902 and attr rmsd > 33.302 ))
( attr rmsd < 7.12 and attr rmsd > 7.06 )
6 6 0 peak 20802 volume 5.93910 ppm1 1.465 ppm2 7.090
assi (( attr rmsd < 0.821 and attr rmsd > 0.761 )
and bondedto( attr rmsd < 22.32 and attr rmsd > 21.72 ))
( attr rmsd < 2.883 and attr rmsd > 2.823 )
6 6 0 peak 20812 volume 20.00840 ppm1 0.791 ppm2 2.853
assi (( attr rmsd < 0.827 and attr rmsd > 0.767 )
and bondedto( attr rmsd < 22.32 and attr rmsd > 21.72 ))
( attr rmsd < 3.945 and attr rmsd > 3.885 )
6 6 0 peak 20822 volume 65.20090 ppm1 0.797 ppm2 3.915
assi (( attr rmsd < 0.83 and attr rmsd > 0.77 )
and bondedto( attr rmsd < 22.32 and attr rmsd > 21.72 ))
( attr rmsd < 4.423 and attr rmsd > 4.363 )
6 6 0 peak 20832 volume 7.91070 ppm1 0.800 ppm2 4.393
assi (( attr rmsd < 1.212 and attr rmsd > 1.152 )
and bondedto( attr rmsd < 27.248 and attr rmsd > 26.648 ))
( attr rmsd < 7.119 and attr rmsd > 7.059 )
6 6 0 peak 20912 volume 2.30350 ppm1 1.182 ppm2 7.089
assi (( attr rmsd < 1.216 and attr rmsd > 1.156 )
and bondedto( attr rmsd < 27.248 and attr rmsd > 26.648 ))
( attr rmsd < 7.018 and attr rmsd > 6.958 )
6 6 0 peak 20922 volume 3.69910 ppm1 1.186 ppm2 6.988
assi (( attr rmsd < 0.938 and attr rmsd > 0.878 )
and bondedto( attr rmsd < 26.509 and attr rmsd > 25.909 ))
( attr rmsd < 7.519 and attr rmsd > 7.459 )
6 6 0 peak 20942 volume 6.60680 ppm1 0.908 ppm2 7.489
assi (( attr rmsd < 3.667 and attr rmsd > 3.607 )
and bondedto( attr rmsd < 58.792 and attr rmsd > 58.192 ))
( attr rmsd < 8.128 and attr rmsd > 8.068 )
6 6 0 peak 20962 volume 7.54100 ppm1 3.637 ppm2 8.098
assi (( attr rmsd < 1.808 and attr rmsd > 1.748 )
and bondedto( attr rmsd < 33.409 and attr rmsd > 32.809 ))
( attr rmsd < 2.31 and attr rmsd > 2.25 )
6 6 0 peak 21002 volume 8.10110 ppm1 1.778 ppm2 2.280
assi (( attr rmsd < 2.952 and attr rmsd > 2.892 )
and bondedto( attr rmsd < 44.006 and attr rmsd > 43.406 ))
( attr rmsd < 3.297 and attr rmsd > 3.237 )
6 6 0 peak 21032 volume 5.42190 ppm1 2.922 ppm2 3.267
assi (( attr rmsd < 5.135 and attr rmsd > 5.075 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 7.01 and attr rmsd > 6.95 )
6 6 0 peak 21072 volume 5.83650 ppm1 5.105 ppm2 6.980
assi (( attr rmsd < 2.232 and attr rmsd > 2.172 )
and bondedto( attr rmsd < 37.106 and attr rmsd > 36.506 ))
( attr rmsd < 5.136 and attr rmsd > 5.076 )
6 6 0 peak 21092 volume 12.73820 ppm1 2.202 ppm2 5.106
assi (( attr rmsd < 2.218 and attr rmsd > 2.158 )
and bondedto( attr rmsd < 36.86 and attr rmsd > 36.26 ))
( attr rmsd < 1.429 and attr rmsd > 1.369 )
6 6 0 peak 21102 volume 11.73090 ppm1 2.188 ppm2 1.399
assi (( attr rmsd < 2.159 and attr rmsd > 2.099 )
and bondedto( attr rmsd < 37.106 and attr rmsd > 36.506 ))
( attr rmsd < 5.204 and attr rmsd > 5.144 )
6 6 0 peak 21112 volume 9.03370 ppm1 2.129 ppm2 5.174
assi (( attr rmsd < 2.161 and attr rmsd > 2.101 )
and bondedto( attr rmsd < 37.106 and attr rmsd > 36.506 ))
( attr rmsd < 2.544 and attr rmsd > 2.484 )
6 6 0 peak 21122 volume 12.00430 ppm1 2.131 ppm2 2.514
assi (( attr rmsd < 2.165 and attr rmsd > 2.105 )
and bondedto( attr rmsd < 37.106 and attr rmsd > 36.506 ))
( attr rmsd < 1.609 and attr rmsd > 1.549 )
6 6 0 peak 21132 volume 18.78950 ppm1 2.135 ppm2 1.579
assi (( attr rmsd < 2.162 and attr rmsd > 2.102 )
and bondedto( attr rmsd < 37.106 and attr rmsd > 36.506 ))
( attr rmsd < 1.743 and attr rmsd > 1.683 )
6 6 0 peak 21142 volume 14.25530 ppm1 2.132 ppm2 1.713
assi (( attr rmsd < 0.567 and attr rmsd > 0.507 )
and bondedto( attr rmsd < 23.552 and attr rmsd > 22.952 ))
( attr rmsd < 6.943 and attr rmsd > 6.883 )
6 6 0 peak 21182 volume 11.09940 ppm1 0.537 ppm2 6.913
assi (( attr rmsd < 0.411 and attr rmsd > 0.351 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 1.751 and attr rmsd > 1.691 )
6 6 0 peak 21192 volume 19.39710 ppm1 0.381 ppm2 1.721
assi (( attr rmsd < 0.404 and attr rmsd > 0.344 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 6.948 and attr rmsd > 6.888 )
6 6 0 peak 21202 volume 21.94550 ppm1 0.374 ppm2 6.918
assi (( attr rmsd < 5.396 and attr rmsd > 5.336 )
and bondedto( attr rmsd < 55.83 and attr rmsd > 55.23 ))
( attr rmsd < 3.979 and attr rmsd > 3.919 )
6 6 0 peak 21212 volume 2.93980 ppm1 5.366 ppm2 3.949
assi (( attr rmsd < 5.388 and attr rmsd > 5.328 )
and bondedto( attr rmsd < 55.83 and attr rmsd > 55.23 ))
( attr rmsd < 4.172 and attr rmsd > 4.112 )
6 6 0 peak 21222 volume 8.77570 ppm1 5.358 ppm2 4.142
assi (( attr rmsd < 0.297 and attr rmsd > 0.237 )
and bondedto( attr rmsd < 13.201 and attr rmsd > 12.601 ))
( attr rmsd < 4.867 and attr rmsd > 4.807 )
6 6 0 peak 21242 volume 9.71250 ppm1 0.267 ppm2 4.837
assi (( attr rmsd < 5.002 and attr rmsd > 4.942 )
and bondedto( attr rmsd < 53.863 and attr rmsd > 53.263 ))
( attr rmsd < 7.524 and attr rmsd > 7.464 )
6 6 0 peak 21262 volume 3.49120 ppm1 4.972 ppm2 7.494
assi (( attr rmsd < 1.567 and attr rmsd > 1.507 )
and bondedto( attr rmsd < 34.88 and attr rmsd > 34.28 ))
( attr rmsd < 7.531 and attr rmsd > 7.471 )
6 6 0 peak 21272 volume 2.86330 ppm1 1.537 ppm2 7.501
assi (( attr rmsd < 2.942 and attr rmsd > 2.882 )
and bondedto( attr rmsd < 38.584 and attr rmsd > 37.984 ))
( attr rmsd < 4.474 and attr rmsd > 4.414 )
6 6 0 peak 21342 volume 7.19870 ppm1 2.912 ppm2 4.444
assi (( attr rmsd < 2.942 and attr rmsd > 2.882 )
and bondedto( attr rmsd < 38.584 and attr rmsd > 37.984 ))
( attr rmsd < 4.979 and attr rmsd > 4.919 )
6 6 0 peak 21352 volume 7.35400 ppm1 2.912 ppm2 4.949
assi (( attr rmsd < 2.696 and attr rmsd > 2.636 )
and bondedto( attr rmsd < 38.584 and attr rmsd > 37.984 ))
( attr rmsd < 4.465 and attr rmsd > 4.405 )
6 6 0 peak 21362 volume 2.62070 ppm1 2.666 ppm2 4.435
assi (( attr rmsd < 2.706 and attr rmsd > 2.646 )
and bondedto( attr rmsd < 38.584 and attr rmsd > 37.984 ))
( attr rmsd < 4.806 and attr rmsd > 4.746 )
6 6 0 peak 21372 volume 1.22820 ppm1 2.676 ppm2 4.776
assi (( attr rmsd < 2.404 and attr rmsd > 2.344 )
and bondedto( attr rmsd < 40.556 and attr rmsd > 39.956 ))
( attr rmsd < 3.171 and attr rmsd > 3.111 )
6 6 0 peak 21402 volume 4.65450 ppm1 2.374 ppm2 3.141
assi (( attr rmsd < 4.359 and attr rmsd > 4.299 )
and bondedto( attr rmsd < 63.228 and attr rmsd > 62.628 ))
( attr rmsd < 1.494 and attr rmsd > 1.434 )
6 6 0 peak 21422 volume 3.98080 ppm1 4.329 ppm2 1.464
assi (( attr rmsd < 4.357 and attr rmsd > 4.297 )
and bondedto( attr rmsd < 63.228 and attr rmsd > 62.628 ))
( attr rmsd < 4.188 and attr rmsd > 4.128 )
6 6 0 peak 21432 volume 18.26810 ppm1 4.327 ppm2 4.158
assi (( attr rmsd < 4.866 and attr rmsd > 4.806 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 0.765 and attr rmsd > 0.705 )
6 6 0 peak 21442 volume 16.47320 ppm1 4.836 ppm2 0.735
assi (( attr rmsd < 0.143 and attr rmsd > 0.083 )
and bondedto( attr rmsd < 24.537 and attr rmsd > 23.937 ))
( attr rmsd < 3.015 and attr rmsd > 2.955 )
6 6 0 peak 21452 volume 8.49170 ppm1 0.113 ppm2 2.985
assi (( attr rmsd < 5.523 and attr rmsd > 5.463 )
and bondedto( attr rmsd < 57.806 and attr rmsd > 57.206 ))
( attr rmsd < 1.481 and attr rmsd > 1.421 )
6 6 0 peak 21482 volume 2.96310 ppm1 5.493 ppm2 1.451
assi (( attr rmsd < 3.806 and attr rmsd > 3.746 )
and bondedto( attr rmsd < 66.431 and attr rmsd > 65.831 ))
( attr rmsd < 1.532 and attr rmsd > 1.472 )
6 6 0 peak 21492 volume 6.02950 ppm1 3.776 ppm2 1.502
assi (( attr rmsd < 3.7 and attr rmsd > 3.64 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 1.896 and attr rmsd > 1.836 )
6 6 0 peak 21502 volume 7.18140 ppm1 3.670 ppm2 1.866
assi (( attr rmsd < 3.69 and attr rmsd > 3.63 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 0.892 and attr rmsd > 0.832 )
6 6 0 peak 21512 volume 10.00110 ppm1 3.660 ppm2 0.862
assi (( attr rmsd < 3.69 and attr rmsd > 3.63 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 2.841 and attr rmsd > 2.781 )
6 6 0 peak 21522 volume 10.71700 ppm1 3.660 ppm2 2.811
assi (( attr rmsd < 3.691 and attr rmsd > 3.631 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 4.419 and attr rmsd > 4.359 )
6 6 0 peak 21532 volume 6.73250 ppm1 3.661 ppm2 4.389
assi (( attr rmsd < 2.546 and attr rmsd > 2.486 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 3.248 and attr rmsd > 3.188 )
6 6 0 peak 21542 volume 7.96720 ppm1 2.516 ppm2 3.218
assi (( attr rmsd < 2.135 and attr rmsd > 2.075 )
and bondedto( attr rmsd < 18.13 and attr rmsd > 17.53 ))
( attr rmsd < 2.961 and attr rmsd > 2.901 )
6 6 0 peak 21552 volume 5.27230 ppm1 2.105 ppm2 2.931
assi (( attr rmsd < 2.786 and attr rmsd > 2.726 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 0.985 and attr rmsd > 0.925 )
6 6 0 peak 21582 volume 5.45110 ppm1 2.756 ppm2 0.955
assi (( attr rmsd < 5.015 and attr rmsd > 4.955 )
and bondedto( attr rmsd < 52.631 and attr rmsd > 52.031 ))
( attr rmsd < 0.755 and attr rmsd > 0.695 )
6 6 0 peak 21592 volume 4.10790 ppm1 4.985 ppm2 0.725
assi (( attr rmsd < 2.6 and attr rmsd > 2.54 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < 0.753 and attr rmsd > 0.693 )
6 6 0 peak 21602 volume 5.99240 ppm1 2.570 ppm2 0.723
assi (( attr rmsd < 2.295 and attr rmsd > 2.235 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < 0.751 and attr rmsd > 0.691 )
6 6 0 peak 21612 volume 2.74530 ppm1 2.265 ppm2 0.721
assi (( attr rmsd < 2.301 and attr rmsd > 2.241 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < 1.885 and attr rmsd > 1.825 )
6 6 0 peak 21622 volume 8.62580 ppm1 2.271 ppm2 1.855
assi (( attr rmsd < 1.879 and attr rmsd > 1.819 )
and bondedto( attr rmsd < 19.855 and attr rmsd > 19.255 ))
( attr rmsd < 4.495 and attr rmsd > 4.435 )
6 6 0 peak 21632 volume 22.76970 ppm1 1.849 ppm2 4.465
assi (( attr rmsd < 1.884 and attr rmsd > 1.824 )
and bondedto( attr rmsd < 19.855 and attr rmsd > 19.255 ))
( attr rmsd < 3.251 and attr rmsd > 3.191 )
6 6 0 peak 21642 volume 3.17240 ppm1 1.854 ppm2 3.221
assi (( attr rmsd < 1.892 and attr rmsd > 1.832 )
and bondedto( attr rmsd < 19.855 and attr rmsd > 19.255 ))
( attr rmsd < 2.833 and attr rmsd > 2.773 )
6 6 0 peak 21652 volume 5.94350 ppm1 1.862 ppm2 2.803
assi (( attr rmsd < 4.758 and attr rmsd > 4.698 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 4.579 and attr rmsd > 4.519 )
6 6 0 peak 21672 volume 11.14160 ppm1 4.728 ppm2 4.549
assi (( attr rmsd < 0.734 and attr rmsd > 0.674 )
and bondedto( attr rmsd < 21.087 and attr rmsd > 20.487 ))
( attr rmsd < 5.017 and attr rmsd > 4.957 )
6 6 0 peak 21682 volume 3.11470 ppm1 0.704 ppm2 4.987
assi (( attr rmsd < 0.729 and attr rmsd > 0.669 )
and bondedto( attr rmsd < 21.087 and attr rmsd > 20.487 ))
( attr rmsd < 6.984 and attr rmsd > 6.924 )
6 6 0 peak 21692 volume 4.03300 ppm1 0.699 ppm2 6.954
assi (( attr rmsd < 0.796 and attr rmsd > 0.736 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 2.272 and attr rmsd > 2.212 )
6 6 0 peak 21702 volume 10.25810 ppm1 0.766 ppm2 2.242
assi (( attr rmsd < 0.804 and attr rmsd > 0.744 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 5.377 and attr rmsd > 5.317 )
6 6 0 peak 21712 volume 6.21400 ppm1 0.774 ppm2 5.347
assi (( attr rmsd < 0.798 and attr rmsd > 0.738 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 5.769 and attr rmsd > 5.709 )
6 6 0 peak 21722 volume 6.46480 ppm1 0.768 ppm2 5.739
assi (( attr rmsd < 0.799 and attr rmsd > 0.739 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 6.987 and attr rmsd > 6.927 )
6 6 0 peak 21732 volume 7.46390 ppm1 0.769 ppm2 6.957
assi (( attr rmsd < 4.257 and attr rmsd > 4.197 )
and bondedto( attr rmsd < 49.92 and attr rmsd > 49.32 ))
( attr rmsd < 6.9 and attr rmsd > 6.84 )
6 6 0 peak 21772 volume 5.20730 ppm1 4.227 ppm2 6.870
assi (( attr rmsd < 3.91 and attr rmsd > 3.85 )
and bondedto( attr rmsd < 62.242 and attr rmsd > 61.642 ))
( attr rmsd < 4.104 and attr rmsd > 4.044 )
6 6 0 peak 21802 volume 4.36390 ppm1 3.880 ppm2 4.074
assi (( attr rmsd < 0.816 and attr rmsd > 0.756 )
and bondedto( attr rmsd < 29.22 and attr rmsd > 28.62 ))
( attr rmsd < 4.085 and attr rmsd > 4.025 )
6 6 0 peak 21822 volume 4.55400 ppm1 0.786 ppm2 4.055
assi (( attr rmsd < 0.643 and attr rmsd > 0.583 )
and bondedto( attr rmsd < 28.727 and attr rmsd > 28.127 ))
( attr rmsd < 1.087 and attr rmsd > 1.027 )
6 6 0 peak 21832 volume 19.47370 ppm1 0.613 ppm2 1.057
assi (( attr rmsd < 4.796 and attr rmsd > 4.736 )
and bondedto( attr rmsd < 56.574 and attr rmsd > 55.974 ))
( attr rmsd < 7.26 and attr rmsd > 7.2 )
6 6 0 peak 21862 volume 2.76290 ppm1 4.766 ppm2 7.230
assi (( attr rmsd < 4.816 and attr rmsd > 4.756 )
and bondedto( attr rmsd < 56.574 and attr rmsd > 55.974 ))
( attr rmsd < 4.42 and attr rmsd > 4.36 )
6 6 0 peak 21872 volume 15.65920 ppm1 4.786 ppm2 4.390
assi (( attr rmsd < 4.824 and attr rmsd > 4.764 )
and bondedto( attr rmsd < 56.574 and attr rmsd > 55.974 ))
( attr rmsd < 1.893 and attr rmsd > 1.833 )
6 6 0 peak 21882 volume 4.71880 ppm1 4.794 ppm2 1.863
assi (( attr rmsd < 4.67 and attr rmsd > 4.61 )
and bondedto( attr rmsd < 51.892 and attr rmsd > 51.292 ))
( attr rmsd < 1.712 and attr rmsd > 1.652 )
6 6 0 peak 21922 volume 8.00680 ppm1 4.640 ppm2 1.682
assi (( attr rmsd < 2.925 and attr rmsd > 2.865 )
and bondedto( attr rmsd < 38.338 and attr rmsd > 37.738 ))
( attr rmsd < 1.784 and attr rmsd > 1.724 )
6 6 0 peak 21932 volume 6.60500 ppm1 2.895 ppm2 1.754
assi (( attr rmsd < 1.98 and attr rmsd > 1.92 )
and bondedto( attr rmsd < 27.248 and attr rmsd > 26.648 ))
( attr rmsd < 3.682 and attr rmsd > 3.622 )
6 6 0 peak 21952 volume 12.36570 ppm1 1.950 ppm2 3.652
assi (( attr rmsd < 3.152 and attr rmsd > 3.092 )
and bondedto( attr rmsd < 38.338 and attr rmsd > 37.738 ))
( attr rmsd < 4.681 and attr rmsd > 4.621 )
6 6 0 peak 21962 volume 5.34460 ppm1 3.122 ppm2 4.651
assi (( attr rmsd < 0.698 and attr rmsd > 0.638 )
and bondedto( attr rmsd < 25.523 and attr rmsd > 24.923 ))
( attr rmsd < 5.77 and attr rmsd > 5.71 )
6 6 0 peak 21972 volume 10.42570 ppm1 0.668 ppm2 5.740
assi (( attr rmsd < 0.684 and attr rmsd > 0.624 )
and bondedto( attr rmsd < 25.523 and attr rmsd > 24.923 ))
( attr rmsd < 7.638 and attr rmsd > 7.578 )
6 6 0 peak 21982 volume 6.43000 ppm1 0.654 ppm2 7.608
assi (( attr rmsd < 1.297 and attr rmsd > 1.237 )
and bondedto( attr rmsd < 22.812 and attr rmsd > 22.212 ))
( attr rmsd < 7.513 and attr rmsd > 7.453 )
6 6 0 peak 22012 volume 6.50530 ppm1 1.267 ppm2 7.483
assi (( attr rmsd < 3.679 and attr rmsd > 3.619 )
and bondedto( attr rmsd < 56.82 and attr rmsd > 56.22 ))
( attr rmsd < 0.805 and attr rmsd > 0.745 )
6 6 0 peak 22052 volume 12.97580 ppm1 3.649 ppm2 0.775
assi (( attr rmsd < 2.296 and attr rmsd > 2.236 )
and bondedto( attr rmsd < 39.077 and attr rmsd > 38.477 ))
( attr rmsd < 5.111 and attr rmsd > 5.051 )
6 6 0 peak 22062 volume 6.14170 ppm1 2.266 ppm2 5.081
assi (( attr rmsd < 3.278 and attr rmsd > 3.218 )
and bondedto( attr rmsd < 64.953 and attr rmsd > 64.353 ))
( attr rmsd < 3.847 and attr rmsd > 3.787 )
6 6 0 peak 22182 volume 7.86490 ppm1 3.248 ppm2 3.817
assi (( attr rmsd < 1.644 and attr rmsd > 1.584 )
and bondedto( attr rmsd < 29.959 and attr rmsd > 29.359 ))
( attr rmsd < 4.696 and attr rmsd > 4.636 )
6 6 0 peak 22262 volume 14.41570 ppm1 1.614 ppm2 4.666
assi (( attr rmsd < 4.685 and attr rmsd > 4.625 )
and bondedto( attr rmsd < 50.906 and attr rmsd > 50.306 ))
( attr rmsd < 1.045 and attr rmsd > 0.985 )
6 6 0 peak 22342 volume 2.32630 ppm1 4.655 ppm2 1.015
assi (( attr rmsd < 4.682 and attr rmsd > 4.622 )
and bondedto( attr rmsd < 50.906 and attr rmsd > 50.306 ))
( attr rmsd < 1.438 and attr rmsd > 1.378 )
6 6 0 peak 22352 volume 3.27580 ppm1 4.652 ppm2 1.408
assi (( attr rmsd < 0.703 and attr rmsd > 0.643 )
and bondedto( attr rmsd < 15.419 and attr rmsd > 14.819 ))
( attr rmsd < 1.514 and attr rmsd > 1.454 )
6 6 0 peak 22382 volume 4.96660 ppm1 0.673 ppm2 1.484
assi (( attr rmsd < 4.453 and attr rmsd > 4.393 )
and bondedto( attr rmsd < 61.749 and attr rmsd > 61.149 ))
( attr rmsd < 5.156 and attr rmsd > 5.096 )
6 6 0 peak 22412 volume 6.08360 ppm1 4.423 ppm2 5.126
assi (( attr rmsd < 3.797 and attr rmsd > 3.737 )
and bondedto( attr rmsd < 50.9 and attr rmsd > 50.3 ))
( attr rmsd < 1.096 and attr rmsd > 1.036 )
6 6 0 peak 22432 volume 4.15630 ppm1 3.767 ppm2 1.066
assi (( attr rmsd < 0.912 and attr rmsd > 0.852 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < 4.092 and attr rmsd > 4.032 )
6 6 0 peak 22512 volume 7.40420 ppm1 0.882 ppm2 4.062
assi (( attr rmsd < 0.91 and attr rmsd > 0.85 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < 3.909 and attr rmsd > 3.849 )
6 6 0 peak 22522 volume 6.40680 ppm1 0.880 ppm2 3.879
assi (( attr rmsd < 0.918 and attr rmsd > 0.858 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < 6.949 and attr rmsd > 6.889 )
6 6 0 peak 22532 volume 7.60630 ppm1 0.888 ppm2 6.919
assi (( attr rmsd < 5.168 and attr rmsd > 5.108 )
and bondedto( attr rmsd < 69.389 and attr rmsd > 68.789 ))
( attr rmsd < 0.853 and attr rmsd > 0.793 )
6 6 0 peak 22552 volume 4.20810 ppm1 5.138 ppm2 0.823
assi (( attr rmsd < 5.154 and attr rmsd > 5.094 )
and bondedto( attr rmsd < 69.389 and attr rmsd > 68.789 ))
( attr rmsd < 2.089 and attr rmsd > 2.029 )
6 6 0 peak 22562 volume 1.53090 ppm1 5.124 ppm2 2.059
assi (( attr rmsd < 0.925 and attr rmsd > 0.865 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < 7.081 and attr rmsd > 7.021 )
6 6 0 peak 22572 volume 2.64220 ppm1 0.895 ppm2 7.051
assi (( attr rmsd < 0.922 and attr rmsd > 0.862 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < -0.045 and attr rmsd > -0.105 )
6 6 0 peak 22582 volume 9.51180 ppm1 0.892 ppm2 -0.075
assi (( attr rmsd < 0.922 and attr rmsd > 0.862 )
and bondedto( attr rmsd < 18.869 and attr rmsd > 18.269 ))
( attr rmsd < 0.989 and attr rmsd > 0.929 )
6 6 0 peak 22592 volume 18.84590 ppm1 0.892 ppm2 0.959
assi (( attr rmsd < 0.845 and attr rmsd > 0.785 )
and bondedto( attr rmsd < 14.187 and attr rmsd > 13.587 ))
( attr rmsd < 5.42 and attr rmsd > 5.36 )
6 6 0 peak 22602 volume 2.09580 ppm1 0.815 ppm2 5.390
assi (( attr rmsd < 4.731 and attr rmsd > 4.671 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 0.495 and attr rmsd > 0.435 )
6 6 0 peak 22612 volume 6.34390 ppm1 4.701 ppm2 0.465
assi (( attr rmsd < 4.724 and attr rmsd > 4.664 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 5.163 and attr rmsd > 5.103 )
6 6 0 peak 22622 volume 6.00080 ppm1 4.694 ppm2 5.133
assi (( attr rmsd < 4.727 and attr rmsd > 4.667 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 4.518 and attr rmsd > 4.458 )
6 6 0 peak 22632 volume 26.04960 ppm1 4.697 ppm2 4.488
assi (( attr rmsd < 2.292 and attr rmsd > 2.232 )
and bondedto( attr rmsd < 32.916 and attr rmsd > 32.316 ))
( attr rmsd < 2.958 and attr rmsd > 2.898 )
6 6 0 peak 22652 volume 9.34550 ppm1 2.262 ppm2 2.928
assi (( attr rmsd < 2.295 and attr rmsd > 2.235 )
and bondedto( attr rmsd < 32.916 and attr rmsd > 32.316 ))
( attr rmsd < 7.689 and attr rmsd > 7.629 )
6 6 0 peak 22662 volume 15.37700 ppm1 2.265 ppm2 7.659
assi (( attr rmsd < 3.888 and attr rmsd > 3.828 )
and bondedto( attr rmsd < 59.285 and attr rmsd > 58.685 ))
( attr rmsd < 1.915 and attr rmsd > 1.855 )
6 6 0 peak 22672 volume 17.32870 ppm1 3.858 ppm2 1.885
assi (( attr rmsd < 1.722 and attr rmsd > 1.662 )
and bondedto( attr rmsd < 26.509 and attr rmsd > 25.909 ))
( attr rmsd < 3.997 and attr rmsd > 3.937 )
6 6 0 peak 22702 volume 4.76710 ppm1 1.692 ppm2 3.967
assi (( attr rmsd < 3.213 and attr rmsd > 3.153 )
and bondedto( attr rmsd < 42.527 and attr rmsd > 41.927 ))
( attr rmsd < 4.281 and attr rmsd > 4.221 )
6 6 0 peak 22712 volume 6.05750 ppm1 3.183 ppm2 4.251
assi (( attr rmsd < 3.22 and attr rmsd > 3.16 )
and bondedto( attr rmsd < 42.527 and attr rmsd > 41.927 ))
( attr rmsd < 6.951 and attr rmsd > 6.891 )
6 6 0 peak 22722 volume 6.11870 ppm1 3.190 ppm2 6.921
assi (( attr rmsd < 3.21 and attr rmsd > 3.15 )
and bondedto( attr rmsd < 42.527 and attr rmsd > 41.927 ))
( attr rmsd < 1.333 and attr rmsd > 1.273 )
6 6 0 peak 22732 volume 4.15720 ppm1 3.180 ppm2 1.303
assi (( attr rmsd < 3.088 and attr rmsd > 3.028 )
and bondedto( attr rmsd < 41.788 and attr rmsd > 41.188 ))
( attr rmsd < 0.589 and attr rmsd > 0.529 )
6 6 0 peak 22742 volume 8.71550 ppm1 3.058 ppm2 0.559
assi (( attr rmsd < 5.223 and attr rmsd > 5.163 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 1.262 and attr rmsd > 1.202 )
6 6 0 peak 22752 volume 5.28770 ppm1 5.193 ppm2 1.232
assi (( attr rmsd < 5.22 and attr rmsd > 5.16 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 0.545 and attr rmsd > 0.485 )
6 6 0 peak 22762 volume 4.54080 ppm1 5.190 ppm2 0.515
assi (( attr rmsd < 5.391 and attr rmsd > 5.331 )
and bondedto( attr rmsd < 55.835 and attr rmsd > 55.235 ))
( attr rmsd < 4.942 and attr rmsd > 4.882 )
6 6 0 peak 22772 volume 8.53330 ppm1 5.361 ppm2 4.912
assi (( attr rmsd < 5.154 and attr rmsd > 5.094 )
and bondedto( attr rmsd < 61.996 and attr rmsd > 61.396 ))
( attr rmsd < 0.584 and attr rmsd > 0.524 )
6 6 0 peak 22782 volume 14.18750 ppm1 5.124 ppm2 0.554
assi (( attr rmsd < 4.591 and attr rmsd > 4.531 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 0.614 and attr rmsd > 0.554 )
6 6 0 peak 22792 volume 11.15850 ppm1 4.561 ppm2 0.584
assi (( attr rmsd < 4.548 and attr rmsd > 4.488 )
and bondedto( attr rmsd < 58.053 and attr rmsd > 57.453 ))
( attr rmsd < 7.212 and attr rmsd > 7.152 )
6 6 0 peak 22812 volume 4.07240 ppm1 4.518 ppm2 7.182
assi (( attr rmsd < 3.241 and attr rmsd > 3.181 )
and bondedto( attr rmsd < 29.712 and attr rmsd > 29.112 ))
( attr rmsd < 3.615 and attr rmsd > 3.555 )
6 6 0 peak 22822 volume 6.17350 ppm1 3.211 ppm2 3.585
assi (( attr rmsd < 3.405 and attr rmsd > 3.345 )
and bondedto( attr rmsd < 29.712 and attr rmsd > 29.112 ))
( attr rmsd < 3.618 and attr rmsd > 3.558 )
6 6 0 peak 22832 volume 3.93570 ppm1 3.375 ppm2 3.588
assi (( attr rmsd < 4.712 and attr rmsd > 4.652 )
and bondedto( attr rmsd < 54.356 and attr rmsd > 53.756 ))
( attr rmsd < 1.269 and attr rmsd > 1.209 )
6 6 0 peak 22862 volume 5.49800 ppm1 4.682 ppm2 1.239
assi (( attr rmsd < 4.159 and attr rmsd > 4.099 )
and bondedto( attr rmsd < 45.484 and attr rmsd > 44.884 ))
( attr rmsd < 4.574 and attr rmsd > 4.514 )
6 6 0 peak 22892 volume 7.71330 ppm1 4.129 ppm2 4.544
assi (( attr rmsd < 3.566 and attr rmsd > 3.506 )
and bondedto( attr rmsd < 45.484 and attr rmsd > 44.884 ))
( attr rmsd < 3.697 and attr rmsd > 3.637 )
6 6 0 peak 22912 volume 3.57260 ppm1 3.536 ppm2 3.667
assi (( attr rmsd < 4.18 and attr rmsd > 4.12 )
and bondedto( attr rmsd < 64.706 and attr rmsd > 64.106 ))
( attr rmsd < 4.472 and attr rmsd > 4.412 )
6 6 0 peak 22922 volume 10.02720 ppm1 4.150 ppm2 4.442
assi (( attr rmsd < 4.302 and attr rmsd > 4.242 )
and bondedto( attr rmsd < 64.706 and attr rmsd > 64.106 ))
( attr rmsd < 3.978 and attr rmsd > 3.918 )
6 6 0 peak 22932 volume 15.51000 ppm1 4.272 ppm2 3.948
assi (( attr rmsd < 4.173 and attr rmsd > 4.113 )
and bondedto( attr rmsd < 64.706 and attr rmsd > 64.106 ))
( attr rmsd < 3.978 and attr rmsd > 3.918 )
6 6 0 peak 22942 volume 55.35760 ppm1 4.143 ppm2 3.948
assi (( attr rmsd < 4.176 and attr rmsd > 4.116 )
and bondedto( attr rmsd < 64.706 and attr rmsd > 64.106 ))
( attr rmsd < 5.387 and attr rmsd > 5.327 )
6 6 0 peak 22952 volume 8.57240 ppm1 4.146 ppm2 5.357
assi (( attr rmsd < 4.302 and attr rmsd > 4.242 )
and bondedto( attr rmsd < 64.706 and attr rmsd > 64.106 ))
( attr rmsd < 5.39 and attr rmsd > 5.33 )
6 6 0 peak 22962 volume 2.37960 ppm1 4.272 ppm2 5.360
assi (( attr rmsd < 5.113 and attr rmsd > 5.053 )
and bondedto( attr rmsd < 59.038 and attr rmsd > 58.438 ))
( attr rmsd < 5.389 and attr rmsd > 5.329 )
6 6 0 peak 22972 volume 5.49100 ppm1 5.083 ppm2 5.359
assi (( attr rmsd < 5.137 and attr rmsd > 5.077 )
and bondedto( attr rmsd < 58.792 and attr rmsd > 58.192 ))
( attr rmsd < 8.005 and attr rmsd > 7.945 )
6 6 0 peak 22982 volume 11.49510 ppm1 5.107 ppm2 7.975
assi (( attr rmsd < 3.931 and attr rmsd > 3.871 )
and bondedto( attr rmsd < 72.592 and attr rmsd > 71.992 ))
( attr rmsd < 2.845 and attr rmsd > 2.785 )
6 6 0 peak 22992 volume 4.94410 ppm1 3.901 ppm2 2.815
assi (( attr rmsd < 3.933 and attr rmsd > 3.873 )
and bondedto( attr rmsd < 72.592 and attr rmsd > 71.992 ))
( attr rmsd < 3.699 and attr rmsd > 3.639 )
6 6 0 peak 23002 volume 3.28870 ppm1 3.903 ppm2 3.669
assi (( attr rmsd < 0.896 and attr rmsd > 0.836 )
and bondedto( attr rmsd < 21.826 and attr rmsd > 21.226 ))
( attr rmsd < 1.861 and attr rmsd > 1.801 )
6 6 0 peak 23022 volume 13.19330 ppm1 0.866 ppm2 1.831
assi (( attr rmsd < 0.915 and attr rmsd > 0.855 )
and bondedto( attr rmsd < 27.495 and attr rmsd > 26.895 ))
( attr rmsd < 1.154 and attr rmsd > 1.094 )
6 6 0 peak 23032 volume 6.47360 ppm1 0.885 ppm2 1.124
assi (( attr rmsd < 2.222 and attr rmsd > 2.162 )
and bondedto( attr rmsd < 36.859 and attr rmsd > 36.259 ))
( attr rmsd < 0.407 and attr rmsd > 0.347 )
6 6 0 peak 23042 volume 8.15110 ppm1 2.192 ppm2 0.377
assi (( attr rmsd < 4.518 and attr rmsd > 4.458 )
and bondedto( attr rmsd < 55.588 and attr rmsd > 54.988 ))
( attr rmsd < 4.729 and attr rmsd > 4.669 )
6 6 0 peak 23062 volume 20.07530 ppm1 4.488 ppm2 4.699
assi (( attr rmsd < 1.773 and attr rmsd > 1.713 )
and bondedto( attr rmsd < 26.262 and attr rmsd > 25.662 ))
( attr rmsd < 0.768 and attr rmsd > 0.708 )
6 6 0 peak 23072 volume 10.35270 ppm1 1.743 ppm2 0.738
assi (( attr rmsd < 1.776 and attr rmsd > 1.716 )
and bondedto( attr rmsd < 26.262 and attr rmsd > 25.662 ))
( attr rmsd < -0.322 and attr rmsd > -0.382 )
6 6 0 peak 23082 volume 7.79990 ppm1 1.746 ppm2 -0.352
assi (( attr rmsd < 1.631 and attr rmsd > 1.571 )
and bondedto( attr rmsd < 18.376 and attr rmsd > 17.776 ))
( attr rmsd < 6.894 and attr rmsd > 6.834 )
6 6 0 peak 23112 volume 6.20020 ppm1 1.601 ppm2 6.864
assi (( attr rmsd < 0.988 and attr rmsd > 0.928 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 2.878 and attr rmsd > 2.818 )
6 6 0 peak 23162 volume 12.03480 ppm1 0.958 ppm2 2.848
assi (( attr rmsd < 0.988 and attr rmsd > 0.928 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 2.8 and attr rmsd > 2.74 )
6 6 0 peak 23172 volume 16.40320 ppm1 0.958 ppm2 2.770
assi (( attr rmsd < 1.118 and attr rmsd > 1.058 )
and bondedto( attr rmsd < 21.334 and attr rmsd > 20.734 ))
( attr rmsd < 3.316 and attr rmsd > 3.256 )
6 6 0 peak 23182 volume 3.46210 ppm1 1.088 ppm2 3.286
assi (( attr rmsd < 0.408 and attr rmsd > 0.348 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 7.089 and attr rmsd > 7.029 )
6 6 0 peak 23192 volume 5.86740 ppm1 0.378 ppm2 7.059
assi (( attr rmsd < 1.672 and attr rmsd > 1.612 )
and bondedto( attr rmsd < 28.973 and attr rmsd > 28.373 ))
( attr rmsd < 2.313 and attr rmsd > 2.253 )
6 6 0 peak 23232 volume 5.31600 ppm1 1.642 ppm2 2.283
assi (( attr rmsd < 1.477 and attr rmsd > 1.417 )
and bondedto( attr rmsd < 27.25 and attr rmsd > 26.65 ))
( attr rmsd < 1.87 and attr rmsd > 1.81 )
6 6 0 peak 23252 volume 24.82200 ppm1 1.447 ppm2 1.840
assi (( attr rmsd < 0.902 and attr rmsd > 0.842 )
and bondedto( attr rmsd < 21.826 and attr rmsd > 21.226 ))
( attr rmsd < 8.018 and attr rmsd > 7.958 )
6 6 0 peak 23262 volume 3.56480 ppm1 0.872 ppm2 7.988
assi (( attr rmsd < 3.222 and attr rmsd > 3.162 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 2.843 and attr rmsd > 2.783 )
6 6 0 peak 23272 volume 5.56750 ppm1 3.192 ppm2 2.813
assi (( attr rmsd < 3.213 and attr rmsd > 3.153 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 3.708 and attr rmsd > 3.648 )
6 6 0 peak 23282 volume 7.32260 ppm1 3.183 ppm2 3.678
assi (( attr rmsd < 3.819 and attr rmsd > 3.759 )
and bondedto( attr rmsd < 66.185 and attr rmsd > 65.585 ))
( attr rmsd < 1.899 and attr rmsd > 1.839 )
6 6 0 peak 23292 volume 6.41340 ppm1 3.789 ppm2 1.869
assi (( attr rmsd < 1.044 and attr rmsd > 0.984 )
and bondedto( attr rmsd < 14.187 and attr rmsd > 13.587 ))
( attr rmsd < 1.515 and attr rmsd > 1.455 )
6 6 0 peak 23312 volume 6.11340 ppm1 1.014 ppm2 1.485
assi (( attr rmsd < 5.369 and attr rmsd > 5.309 )
and bondedto( attr rmsd < 54.11 and attr rmsd > 53.51 ))
( attr rmsd < 5.763 and attr rmsd > 5.703 )
6 6 0 peak 23322 volume 7.20100 ppm1 5.339 ppm2 5.733
assi (( attr rmsd < 0.828 and attr rmsd > 0.768 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 7.006 and attr rmsd > 6.946 )
6 6 0 peak 23332 volume 10.95170 ppm1 0.798 ppm2 6.976
assi (( attr rmsd < 0.832 and attr rmsd > 0.772 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 5.136 and attr rmsd > 5.076 )
6 6 0 peak 23342 volume 17.57930 ppm1 0.802 ppm2 5.106
assi (( attr rmsd < 0.838 and attr rmsd > 0.778 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 4.776 and attr rmsd > 4.716 )
6 6 0 peak 23352 volume 8.28950 ppm1 0.808 ppm2 4.746
assi (( attr rmsd < 0.829 and attr rmsd > 0.769 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 3.557 and attr rmsd > 3.497 )
6 6 0 peak 23362 volume 5.87780 ppm1 0.799 ppm2 3.527
assi (( attr rmsd < 0.408 and attr rmsd > 0.348 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 0.998 and attr rmsd > 0.938 )
6 6 0 peak 23372 volume 15.29340 ppm1 0.378 ppm2 0.968
assi (( attr rmsd < 0.404 and attr rmsd > 0.344 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 0.793 and attr rmsd > 0.733 )
6 6 0 peak 23382 volume 61.92610 ppm1 0.374 ppm2 0.763
assi (( attr rmsd < 0.58 and attr rmsd > 0.52 )
and bondedto( attr rmsd < 23.552 and attr rmsd > 22.952 ))
( attr rmsd < 1 and attr rmsd > 0.94 )
6 6 0 peak 23392 volume 43.75150 ppm1 0.550 ppm2 0.970
assi (( attr rmsd < 0.303 and attr rmsd > 0.243 )
and bondedto( attr rmsd < 13.201 and attr rmsd > 12.601 ))
( attr rmsd < 4.995 and attr rmsd > 4.935 )
6 6 0 peak 23402 volume 3.33590 ppm1 0.273 ppm2 4.965
assi (( attr rmsd < 1.052 and attr rmsd > 0.992 )
and bondedto( attr rmsd < 27.495 and attr rmsd > 26.895 ))
( attr rmsd < 2.074 and attr rmsd > 2.014 )
6 6 0 peak 23412 volume 3.17190 ppm1 1.022 ppm2 2.044
assi (( attr rmsd < 2.097 and attr rmsd > 2.037 )
and bondedto( attr rmsd < 34.395 and attr rmsd > 33.795 ))
( attr rmsd < 1.45 and attr rmsd > 1.39 )
6 6 0 peak 23422 volume 18.68200 ppm1 2.067 ppm2 1.420
assi (( attr rmsd < 5.321 and attr rmsd > 5.261 )
and bondedto( attr rmsd < 61.749 and attr rmsd > 61.149 ))
( attr rmsd < 1.347 and attr rmsd > 1.287 )
6 6 0 peak 23432 volume 7.93160 ppm1 5.291 ppm2 1.317
assi (( attr rmsd < -0.055 and attr rmsd > -0.115 )
and bondedto( attr rmsd < 18.376 and attr rmsd > 17.776 ))
( attr rmsd < 1.475 and attr rmsd > 1.415 )
6 6 0 peak 23442 volume 18.37940 ppm1 -0.085 ppm2 1.445
assi (( attr rmsd < -0.069 and attr rmsd > -0.129 )
and bondedto( attr rmsd < 18.376 and attr rmsd > 17.776 ))
( attr rmsd < 1.281 and attr rmsd > 1.221 )
6 6 0 peak 23452 volume 10.05140 ppm1 -0.099 ppm2 1.251
assi (( attr rmsd < 4.865 and attr rmsd > 4.805 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 1.892 and attr rmsd > 1.832 )
6 6 0 peak 23472 volume 11.80850 ppm1 4.835 ppm2 1.862
assi (( attr rmsd < 4.054 and attr rmsd > 3.994 )
and bondedto( attr rmsd < 64.214 and attr rmsd > 63.614 ))
( attr rmsd < 1.139 and attr rmsd > 1.079 )
6 6 0 peak 23482 volume 6.69530 ppm1 4.024 ppm2 1.109
assi (( attr rmsd < 1.879 and attr rmsd > 1.819 )
and bondedto( attr rmsd < 19.855 and attr rmsd > 19.255 ))
( attr rmsd < 4.865 and attr rmsd > 4.805 )
6 6 0 peak 23502 volume 7.94820 ppm1 1.849 ppm2 4.835
assi (( attr rmsd < 1.877 and attr rmsd > 1.817 )
and bondedto( attr rmsd < 19.855 and attr rmsd > 19.255 ))
( attr rmsd < 4.148 and attr rmsd > 4.088 )
6 6 0 peak 23512 volume 3.26030 ppm1 1.847 ppm2 4.118
assi (( attr rmsd < 1.694 and attr rmsd > 1.634 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 3.926 and attr rmsd > 3.866 )
6 6 0 peak 23522 volume 14.03260 ppm1 1.664 ppm2 3.896
assi (( attr rmsd < 1.699 and attr rmsd > 1.639 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 4.581 and attr rmsd > 4.521 )
6 6 0 peak 23532 volume 12.41400 ppm1 1.669 ppm2 4.551
assi (( attr rmsd < 1.697 and attr rmsd > 1.637 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 5.047 and attr rmsd > 4.987 )
6 6 0 peak 23542 volume 2.34950 ppm1 1.667 ppm2 5.017
assi (( attr rmsd < 1.688 and attr rmsd > 1.628 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 4.254 and attr rmsd > 4.194 )
6 6 0 peak 23552 volume 6.85450 ppm1 1.658 ppm2 4.224
assi (( attr rmsd < 1.688 and attr rmsd > 1.628 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 2.842 and attr rmsd > 2.782 )
6 6 0 peak 23562 volume 7.06790 ppm1 1.658 ppm2 2.812
assi (( attr rmsd < 4.791 and attr rmsd > 4.731 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 2.38 and attr rmsd > 2.32 )
6 6 0 peak 23572 volume 8.33400 ppm1 4.761 ppm2 2.350
assi (( attr rmsd < 1.586 and attr rmsd > 1.526 )
and bondedto( attr rmsd < 20.841 and attr rmsd > 20.241 ))
( attr rmsd < 2.663 and attr rmsd > 2.603 )
6 6 0 peak 23582 volume 5.49530 ppm1 1.556 ppm2 2.633
assi (( attr rmsd < 5.38 and attr rmsd > 5.32 )
and bondedto( attr rmsd < 55.588 and attr rmsd > 54.988 ))
( attr rmsd < 1.342 and attr rmsd > 1.282 )
6 6 0 peak 23592 volume 4.09700 ppm1 5.350 ppm2 1.312
assi (( attr rmsd < 3.41 and attr rmsd > 3.35 )
and bondedto( attr rmsd < 50.66 and attr rmsd > 50.06 ))
( attr rmsd < 2.099 and attr rmsd > 2.039 )
6 6 0 peak 23602 volume 9.36760 ppm1 3.380 ppm2 2.069
assi (( attr rmsd < 4.645 and attr rmsd > 4.585 )
and bondedto( attr rmsd < 62.735 and attr rmsd > 62.135 ))
( attr rmsd < 0.57 and attr rmsd > 0.51 )
6 6 0 peak 23622 volume 3.57770 ppm1 4.615 ppm2 0.540
assi (( attr rmsd < 4.447 and attr rmsd > 4.387 )
and bondedto( attr rmsd < 61.749 and attr rmsd > 61.149 ))
( attr rmsd < 4.712 and attr rmsd > 4.652 )
6 6 0 peak 23632 volume 25.59860 ppm1 4.417 ppm2 4.682
assi (( attr rmsd < 0.934 and attr rmsd > 0.874 )
and bondedto( attr rmsd < 15.173 and attr rmsd > 14.573 ))
( attr rmsd < 4.508 and attr rmsd > 4.448 )
6 6 0 peak 23642 volume 4.90600 ppm1 0.904 ppm2 4.478
assi (( attr rmsd < -0.177 and attr rmsd > -0.237 )
and bondedto( attr rmsd < 20.841 and attr rmsd > 20.241 ))
( attr rmsd < 2.647 and attr rmsd > 2.587 )
6 6 0 peak 23652 volume 2.16800 ppm1 -0.207 ppm2 2.617
assi (( attr rmsd < 5.687 and attr rmsd > 5.627 )
and bondedto( attr rmsd < 59.531 and attr rmsd > 58.931 ))
( attr rmsd < 4.743 and attr rmsd > 4.683 )
6 6 0 peak 23662 volume 12.11370 ppm1 5.657 ppm2 4.713
assi (( attr rmsd < 0.4 and attr rmsd > 0.34 )
and bondedto( attr rmsd < 14.68 and attr rmsd > 14.08 ))
( attr rmsd < 6.113 and attr rmsd > 6.053 )
6 6 0 peak 23692 volume 7.18320 ppm1 0.370 ppm2 6.083
assi (( attr rmsd < 0.412 and attr rmsd > 0.352 )
and bondedto( attr rmsd < 14.68 and attr rmsd > 14.08 ))
( attr rmsd < 7.098 and attr rmsd > 7.038 )
6 6 0 peak 23702 volume 5.16350 ppm1 0.382 ppm2 7.068
assi (( attr rmsd < 1.764 and attr rmsd > 1.704 )
and bondedto( attr rmsd < 43.759 and attr rmsd > 43.159 ))
( attr rmsd < 4.516 and attr rmsd > 4.456 )
6 6 0 peak 23712 volume 2.45880 ppm1 1.734 ppm2 4.486
assi (( attr rmsd < 0.851 and attr rmsd > 0.791 )
and bondedto( attr rmsd < 14.187 and attr rmsd > 13.587 ))
( attr rmsd < 8.128 and attr rmsd > 8.068 )
6 6 0 peak 23722 volume 3.55330 ppm1 0.821 ppm2 8.098
assi (( attr rmsd < 1.744 and attr rmsd > 1.684 )
and bondedto( attr rmsd < 16.405 and attr rmsd > 15.805 ))
( attr rmsd < 7.084 and attr rmsd > 7.024 )
6 6 0 peak 23732 volume 14.14770 ppm1 1.714 ppm2 7.054
assi (( attr rmsd < 1.746 and attr rmsd > 1.686 )
and bondedto( attr rmsd < 16.405 and attr rmsd > 15.805 ))
( attr rmsd < 5.172 and attr rmsd > 5.112 )
6 6 0 peak 23742 volume 6.93040 ppm1 1.716 ppm2 5.142
assi (( attr rmsd < 1.49 and attr rmsd > 1.43 )
and bondedto( attr rmsd < 33.902 and attr rmsd > 33.302 ))
( attr rmsd < 5.116 and attr rmsd > 5.056 )
6 6 0 peak 23772 volume 3.79060 ppm1 1.460 ppm2 5.086
assi (( attr rmsd < 4.793 and attr rmsd > 4.733 )
and bondedto( attr rmsd < 55.588 and attr rmsd > 54.988 ))
( attr rmsd < 4.591 and attr rmsd > 4.531 )
6 6 0 peak 23822 volume 10.84050 ppm1 4.763 ppm2 4.561
assi (( attr rmsd < 3.09 and attr rmsd > 3.03 )
and bondedto( attr rmsd < 41.788 and attr rmsd > 41.188 ))
( attr rmsd < 3.394 and attr rmsd > 3.334 )
6 6 0 peak 23832 volume 16.54710 ppm1 3.060 ppm2 3.364
assi (( attr rmsd < 4.483 and attr rmsd > 4.423 )
and bondedto( attr rmsd < 57.313 and attr rmsd > 56.713 ))
( attr rmsd < 7.68 and attr rmsd > 7.62 )
6 6 0 peak 23842 volume 13.68380 ppm1 4.453 ppm2 7.650
assi (( attr rmsd < 0.942 and attr rmsd > 0.882 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 7.969 and attr rmsd > 7.909 )
6 6 0 peak 23902 volume 2.96100 ppm1 0.912 ppm2 7.939
assi (( attr rmsd < 0.945 and attr rmsd > 0.885 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 7.612 and attr rmsd > 7.552 )
6 6 0 peak 23912 volume 1.20420 ppm1 0.915 ppm2 7.582
assi (( attr rmsd < 3.91 and attr rmsd > 3.85 )
and bondedto( attr rmsd < 63.967 and attr rmsd > 63.367 ))
( attr rmsd < 4.201 and attr rmsd > 4.141 )
6 6 0 peak 23962 volume 6.01610 ppm1 3.880 ppm2 4.171
assi (( attr rmsd < 4.495 and attr rmsd > 4.435 )
and bondedto( attr rmsd < 63.721 and attr rmsd > 63.121 ))
( attr rmsd < 2.449 and attr rmsd > 2.389 )
6 6 0 peak 23972 volume 2.45280 ppm1 4.465 ppm2 2.419
assi (( attr rmsd < 3.666 and attr rmsd > 3.606 )
and bondedto( attr rmsd < 50.906 and attr rmsd > 50.306 ))
( attr rmsd < 4.862 and attr rmsd > 4.802 )
6 6 0 peak 23982 volume 8.39750 ppm1 3.636 ppm2 4.832
assi (( attr rmsd < 3.784 and attr rmsd > 3.724 )
and bondedto( attr rmsd < 50.906 and attr rmsd > 50.306 ))
( attr rmsd < 4.862 and attr rmsd > 4.802 )
6 6 0 peak 23992 volume 4.68130 ppm1 3.754 ppm2 4.832
assi (( attr rmsd < 1.939 and attr rmsd > 1.879 )
and bondedto( attr rmsd < 32.916 and attr rmsd > 32.316 ))
( attr rmsd < 5.68 and attr rmsd > 5.62 )
6 6 0 peak 24002 volume 6.55100 ppm1 1.909 ppm2 5.650
assi (( attr rmsd < 4.645 and attr rmsd > 4.585 )
and bondedto( attr rmsd < 62.735 and attr rmsd > 62.135 ))
( attr rmsd < 8.13 and attr rmsd > 8.07 )
6 6 0 peak 24022 volume 5.55370 ppm1 4.615 ppm2 8.100
assi (( attr rmsd < 2.654 and attr rmsd > 2.594 )
and bondedto( attr rmsd < 39.077 and attr rmsd > 38.477 ))
( attr rmsd < 6.87 and attr rmsd > 6.81 )
6 6 0 peak 24062 volume 2.05020 ppm1 2.624 ppm2 6.840
assi (( attr rmsd < 1.683 and attr rmsd > 1.623 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 0.399 and attr rmsd > 0.339 )
6 6 0 peak 24072 volume 11.98960 ppm1 1.653 ppm2 0.369
assi (( attr rmsd < 1.69 and attr rmsd > 1.63 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 0.706 and attr rmsd > 0.646 )
6 6 0 peak 24082 volume 27.83560 ppm1 1.660 ppm2 0.676
assi (( attr rmsd < 1.694 and attr rmsd > 1.634 )
and bondedto( attr rmsd < 19.362 and attr rmsd > 18.762 ))
( attr rmsd < 1.896 and attr rmsd > 1.836 )
6 6 0 peak 24092 volume 88.02690 ppm1 1.664 ppm2 1.866
assi (( attr rmsd < 2.545 and attr rmsd > 2.485 )
and bondedto( attr rmsd < 36.859 and attr rmsd > 36.259 ))
( attr rmsd < 5.089 and attr rmsd > 5.029 )
6 6 0 peak 24102 volume 3.86550 ppm1 2.515 ppm2 5.059
assi (( attr rmsd < 2.374 and attr rmsd > 2.314 )
and bondedto( attr rmsd < 35.873 and attr rmsd > 35.273 ))
( attr rmsd < 1.639 and attr rmsd > 1.579 )
6 6 0 peak 24112 volume 8.55880 ppm1 2.344 ppm2 1.609
assi (( attr rmsd < 2.378 and attr rmsd > 2.318 )
and bondedto( attr rmsd < 35.873 and attr rmsd > 35.273 ))
( attr rmsd < 7.339 and attr rmsd > 7.279 )
6 6 0 peak 24122 volume 4.39780 ppm1 2.348 ppm2 7.309
assi (( attr rmsd < 0.933 and attr rmsd > 0.873 )
and bondedto( attr rmsd < 15.173 and attr rmsd > 14.573 ))
( attr rmsd < 5.144 and attr rmsd > 5.084 )
6 6 0 peak 24132 volume 6.72890 ppm1 0.903 ppm2 5.114
assi (( attr rmsd < 0.933 and attr rmsd > 0.873 )
and bondedto( attr rmsd < 15.173 and attr rmsd > 14.573 ))
( attr rmsd < 1.126 and attr rmsd > 1.066 )
6 6 0 peak 24142 volume 148.88460 ppm1 0.903 ppm2 1.096
assi (( attr rmsd < 1.443 and attr rmsd > 1.383 )
and bondedto( attr rmsd < 28.973 and attr rmsd > 28.373 ))
( attr rmsd < 4.165 and attr rmsd > 4.105 )
6 6 0 peak 24192 volume 7.72510 ppm1 1.413 ppm2 4.135
assi (( attr rmsd < 4.818 and attr rmsd > 4.758 )
and bondedto( attr rmsd < 56.574 and attr rmsd > 55.974 ))
( attr rmsd < 4.979 and attr rmsd > 4.919 )
6 6 0 peak 24202 volume 2.13160 ppm1 4.788 ppm2 4.949
assi (( attr rmsd < 2.048 and attr rmsd > 1.988 )
and bondedto( attr rmsd < 27.741 and attr rmsd > 27.141 ))
( attr rmsd < 2.461 and attr rmsd > 2.401 )
6 6 0 peak 24212 volume 41.32640 ppm1 2.018 ppm2 2.431
assi (( attr rmsd < 2.746 and attr rmsd > 2.686 )
and bondedto( attr rmsd < 41.295 and attr rmsd > 40.695 ))
( attr rmsd < 4.478 and attr rmsd > 4.418 )
6 6 0 peak 24222 volume 10.25390 ppm1 2.716 ppm2 4.448
assi (( attr rmsd < 1.747 and attr rmsd > 1.687 )
and bondedto( attr rmsd < 39.077 and attr rmsd > 38.477 ))
( attr rmsd < 5.398 and attr rmsd > 5.338 )
6 6 0 peak 24242 volume 1.87330 ppm1 1.717 ppm2 5.368
assi (( attr rmsd < 1.742 and attr rmsd > 1.682 )
and bondedto( attr rmsd < 39.077 and attr rmsd > 38.477 ))
( attr rmsd < 4.495 and attr rmsd > 4.435 )
6 6 0 peak 24252 volume 7.48440 ppm1 1.712 ppm2 4.465
assi (( attr rmsd < 0.995 and attr rmsd > 0.935 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 1.121 and attr rmsd > 1.061 )
6 6 0 peak 24262 volume 58.51830 ppm1 0.965 ppm2 1.091
assi (( attr rmsd < 2.14 and attr rmsd > 2.08 )
and bondedto( attr rmsd < 18.13 and attr rmsd > 17.53 ))
( attr rmsd < 3.105 and attr rmsd > 3.045 )
6 6 0 peak 24272 volume 7.00220 ppm1 2.110 ppm2 3.075
assi (( attr rmsd < 3.288 and attr rmsd > 3.228 )
and bondedto( attr rmsd < 68.157 and attr rmsd > 67.557 ))
( attr rmsd < 0.805 and attr rmsd > 0.745 )
6 6 0 peak 24302 volume 4.40670 ppm1 3.258 ppm2 0.775
assi (( attr rmsd < 5.509 and attr rmsd > 5.449 )
and bondedto( attr rmsd < 57.806 and attr rmsd > 57.206 ))
( attr rmsd < 0.81 and attr rmsd > 0.75 )
6 6 0 peak 24322 volume 3.14180 ppm1 5.479 ppm2 0.780
assi (( attr rmsd < 5.504 and attr rmsd > 5.444 )
and bondedto( attr rmsd < 57.806 and attr rmsd > 57.206 ))
( attr rmsd < 3.219 and attr rmsd > 3.159 )
6 6 0 peak 24332 volume 4.85050 ppm1 5.474 ppm2 3.189
assi (( attr rmsd < 2.445 and attr rmsd > 2.385 )
and bondedto( attr rmsd < 34.148 and attr rmsd > 33.548 ))
( attr rmsd < 3.997 and attr rmsd > 3.937 )
6 6 0 peak 24342 volume 11.51480 ppm1 2.415 ppm2 3.967
assi (( attr rmsd < 1.441 and attr rmsd > 1.381 )
and bondedto( attr rmsd < 25.277 and attr rmsd > 24.677 ))
( attr rmsd < 1.687 and attr rmsd > 1.627 )
6 6 0 peak 24352 volume 100.59530 ppm1 1.411 ppm2 1.657
assi (( attr rmsd < 2.928 and attr rmsd > 2.868 )
and bondedto( attr rmsd < 41.788 and attr rmsd > 41.188 ))
( attr rmsd < 0.999 and attr rmsd > 0.939 )
6 6 0 peak 24422 volume 13.25970 ppm1 2.898 ppm2 0.969
assi (( attr rmsd < 2 and attr rmsd > 1.94 )
and bondedto( attr rmsd < 28.234 and attr rmsd > 27.634 ))
( attr rmsd < 0.883 and attr rmsd > 0.823 )
6 6 0 peak 24482 volume 3.55220 ppm1 1.970 ppm2 0.853
assi (( attr rmsd < 0.589 and attr rmsd > 0.529 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 7.253 and attr rmsd > 7.193 )
6 6 0 peak 24532 volume 9.84680 ppm1 0.559 ppm2 7.223
assi (( attr rmsd < 0.592 and attr rmsd > 0.532 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 7.033 and attr rmsd > 6.973 )
6 6 0 peak 24542 volume 8.24590 ppm1 0.562 ppm2 7.003
assi (( attr rmsd < 0.598 and attr rmsd > 0.538 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 5.155 and attr rmsd > 5.095 )
6 6 0 peak 24552 volume 7.24350 ppm1 0.568 ppm2 5.125
assi (( attr rmsd < 2.932 and attr rmsd > 2.872 )
and bondedto( attr rmsd < 41.788 and attr rmsd > 41.188 ))
( attr rmsd < 6.944 and attr rmsd > 6.884 )
6 6 0 peak 24572 volume 20.28280 ppm1 2.902 ppm2 6.914
assi (( attr rmsd < 0.593 and attr rmsd > 0.533 )
and bondedto( attr rmsd < 22.319 and attr rmsd > 21.719 ))
( attr rmsd < 4.449 and attr rmsd > 4.389 )
6 6 0 peak 24602 volume 6.50770 ppm1 0.563 ppm2 4.419
assi (( attr rmsd < 4.008 and attr rmsd > 3.948 )
and bondedto( attr rmsd < 45.977 and attr rmsd > 45.377 ))
( attr rmsd < 1.716 and attr rmsd > 1.656 )
6 6 0 peak 24702 volume 3.23360 ppm1 3.978 ppm2 1.686
assi (( attr rmsd < 1.125 and attr rmsd > 1.065 )
and bondedto( attr rmsd < 21.334 and attr rmsd > 20.734 ))
( attr rmsd < 3.675 and attr rmsd > 3.615 )
6 6 0 peak 24722 volume 4.48640 ppm1 1.095 ppm2 3.645
assi (( attr rmsd < 2.778 and attr rmsd > 2.718 )
and bondedto( attr rmsd < 40.802 and attr rmsd > 40.202 ))
( attr rmsd < 4.799 and attr rmsd > 4.739 )
6 6 0 peak 24752 volume 16.09830 ppm1 2.748 ppm2 4.769
assi (( attr rmsd < 2.879 and attr rmsd > 2.819 )
and bondedto( attr rmsd < 40.802 and attr rmsd > 40.202 ))
( attr rmsd < 4.8 and attr rmsd > 4.74 )
6 6 0 peak 24762 volume 19.56230 ppm1 2.849 ppm2 4.770
assi (( attr rmsd < 2.77 and attr rmsd > 2.71 )
and bondedto( attr rmsd < 40.802 and attr rmsd > 40.202 ))
( attr rmsd < 4.591 and attr rmsd > 4.531 )
6 6 0 peak 24772 volume 7.25080 ppm1 2.740 ppm2 4.561
assi (( attr rmsd < 2.881 and attr rmsd > 2.821 )
and bondedto( attr rmsd < 40.802 and attr rmsd > 40.202 ))
( attr rmsd < 4.589 and attr rmsd > 4.529 )
6 6 0 peak 24782 volume 11.67920 ppm1 2.851 ppm2 4.559
assi (( attr rmsd < 4.931 and attr rmsd > 4.871 )
and bondedto( attr rmsd < 58.546 and attr rmsd > 57.946 ))
( attr rmsd < 2.812 and attr rmsd > 2.752 )
6 6 0 peak 24792 volume 6.80170 ppm1 4.901 ppm2 2.782
assi (( attr rmsd < 1.576 and attr rmsd > 1.516 )
and bondedto( attr rmsd < 20.841 and attr rmsd > 20.241 ))
( attr rmsd < 1.887 and attr rmsd > 1.827 )
6 6 0 peak 24802 volume 27.48700 ppm1 1.546 ppm2 1.857
assi (( attr rmsd < 4.785 and attr rmsd > 4.725 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 5.016 and attr rmsd > 4.956 )
6 6 0 peak 24812 volume 5.17460 ppm1 4.755 ppm2 4.986
assi (( attr rmsd < 0.576 and attr rmsd > 0.516 )
and bondedto( attr rmsd < 23.552 and attr rmsd > 22.952 ))
( attr rmsd < 2.697 and attr rmsd > 2.637 )
6 6 0 peak 24822 volume 2.20590 ppm1 0.546 ppm2 2.667
assi (( attr rmsd < 1.642 and attr rmsd > 1.582 )
and bondedto( attr rmsd < 28.48 and attr rmsd > 27.88 ))
( attr rmsd < 0.548 and attr rmsd > 0.488 )
6 6 0 peak 24842 volume 25.42930 ppm1 1.612 ppm2 0.518
assi (( attr rmsd < 0.805 and attr rmsd > 0.745 )
and bondedto( attr rmsd < 17.637 and attr rmsd > 17.037 ))
( attr rmsd < 1.463 and attr rmsd > 1.403 )
6 6 0 peak 24862 volume 4.43950 ppm1 0.775 ppm2 1.433
assi (( attr rmsd < 0.287 and attr rmsd > 0.227 )
and bondedto( attr rmsd < 13.201 and attr rmsd > 12.601 ))
( attr rmsd < 5.367 and attr rmsd > 5.307 )
6 6 0 peak 24872 volume 8.41380 ppm1 0.257 ppm2 5.337
assi (( attr rmsd < 1.049 and attr rmsd > 0.989 )
and bondedto( attr rmsd < 27.495 and attr rmsd > 26.895 ))
( attr rmsd < 1.51 and attr rmsd > 1.45 )
6 6 0 peak 24882 volume 6.67020 ppm1 1.019 ppm2 1.480
assi (( attr rmsd < 0.131 and attr rmsd > 0.071 )
and bondedto( attr rmsd < 24.537 and attr rmsd > 23.937 ))
( attr rmsd < 1.23 and attr rmsd > 1.17 )
6 6 0 peak 24902 volume 6.55160 ppm1 0.101 ppm2 1.200
assi (( attr rmsd < 0.135 and attr rmsd > 0.075 )
and bondedto( attr rmsd < 24.537 and attr rmsd > 23.937 ))
( attr rmsd < 0.995 and attr rmsd > 0.935 )
6 6 0 peak 24912 volume 5.33090 ppm1 0.105 ppm2 0.965
assi (( attr rmsd < 0.136 and attr rmsd > 0.076 )
and bondedto( attr rmsd < 24.537 and attr rmsd > 23.937 ))
( attr rmsd < 5.66 and attr rmsd > 5.6 )
6 6 0 peak 24942 volume 6.82700 ppm1 0.106 ppm2 5.630
assi (( attr rmsd < 0.807 and attr rmsd > 0.747 )
and bondedto( attr rmsd < 43.759 and attr rmsd > 43.159 ))
( attr rmsd < 3.114 and attr rmsd > 3.054 )
6 6 0 peak 24952 volume 1.88410 ppm1 0.777 ppm2 3.084
assi (( attr rmsd < 3.56 and attr rmsd > 3.5 )
and bondedto( attr rmsd < 55.835 and attr rmsd > 55.235 ))
( attr rmsd < 3.318 and attr rmsd > 3.258 )
6 6 0 peak 24962 volume 4.20850 ppm1 3.530 ppm2 3.288
assi (( attr rmsd < 2.414 and attr rmsd > 2.354 )
and bondedto( attr rmsd < 40.556 and attr rmsd > 39.956 ))
( attr rmsd < 4.989 and attr rmsd > 4.929 )
6 6 0 peak 24972 volume 5.18710 ppm1 2.384 ppm2 4.959
assi (( attr rmsd < 1.583 and attr rmsd > 1.523 )
and bondedto( attr rmsd < 34.888 and attr rmsd > 34.288 ))
( attr rmsd < 3.332 and attr rmsd > 3.272 )
6 6 0 peak 24982 volume 2.69120 ppm1 1.553 ppm2 3.302
assi (( attr rmsd < 2.288 and attr rmsd > 2.228 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < -0.331 and attr rmsd > -0.391 )
6 6 0 peak 25002 volume 4.44140 ppm1 2.258 ppm2 -0.361
assi (( attr rmsd < 2.582 and attr rmsd > 2.522 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < -0.322 and attr rmsd > -0.382 )
6 6 0 peak 25012 volume 1.51770 ppm1 2.552 ppm2 -0.352
assi (( attr rmsd < 2.597 and attr rmsd > 2.537 )
and bondedto( attr rmsd < 34.641 and attr rmsd > 34.041 ))
( attr rmsd < 5.016 and attr rmsd > 4.956 )
6 6 0 peak 25022 volume 4.46370 ppm1 2.567 ppm2 4.986
assi (( attr rmsd < 2.367 and attr rmsd > 2.307 )
and bondedto( attr rmsd < 34.395 and attr rmsd > 33.795 ))
( attr rmsd < 6.893 and attr rmsd > 6.833 )
6 6 0 peak 25042 volume 7.53050 ppm1 2.337 ppm2 6.863
assi (( attr rmsd < 2.396 and attr rmsd > 2.336 )
and bondedto( attr rmsd < 34.395 and attr rmsd > 33.795 ))
( attr rmsd < 0.399 and attr rmsd > 0.339 )
6 6 0 peak 25052 volume 4.22140 ppm1 2.366 ppm2 0.369
assi (( attr rmsd < 0.734 and attr rmsd > 0.674 )
and bondedto( attr rmsd < 21.087 and attr rmsd > 20.487 ))
( attr rmsd < 7.229 and attr rmsd > 7.169 )
6 6 0 peak 25062 volume 1.09870 ppm1 0.704 ppm2 7.199
assi (( attr rmsd < 1.475 and attr rmsd > 1.415 )
and bondedto( attr rmsd < 27.741 and attr rmsd > 27.141 ))
( attr rmsd < 7.25 and attr rmsd > 7.19 )
6 6 0 peak 25072 volume 4.02610 ppm1 1.445 ppm2 7.220
assi (( attr rmsd < 0.125 and attr rmsd > 0.065 )
and bondedto( attr rmsd < 24.537 and attr rmsd > 23.937 ))
( attr rmsd < 7.623 and attr rmsd > 7.563 )
6 6 0 peak 25082 volume 3.42330 ppm1 0.095 ppm2 7.593
assi (( attr rmsd < 2.877 and attr rmsd > 2.817 )
and bondedto( attr rmsd < 39.57 and attr rmsd > 38.97 ))
( attr rmsd < 5.579 and attr rmsd > 5.519 )
6 6 0 peak 25092 volume 3.49070 ppm1 2.847 ppm2 5.549
assi (( attr rmsd < 3.576 and attr rmsd > 3.516 )
and bondedto( attr rmsd < 45.484 and attr rmsd > 44.884 ))
( attr rmsd < 4.538 and attr rmsd > 4.478 )
6 6 0 peak 25102 volume 4.00740 ppm1 3.546 ppm2 4.508
assi (( attr rmsd < 3.072 and attr rmsd > 3.012 )
and bondedto( attr rmsd < 43.513 and attr rmsd > 42.913 ))
( attr rmsd < 2.534 and attr rmsd > 2.474 )
6 6 0 peak 25112 volume 23.35080 ppm1 3.042 ppm2 2.504
assi (( attr rmsd < 2.026 and attr rmsd > 1.966 )
and bondedto( attr rmsd < 41.295 and attr rmsd > 40.695 ))
( attr rmsd < 0.117 and attr rmsd > 0.057 )
6 6 0 peak 25152 volume 2.34700 ppm1 1.996 ppm2 0.087
assi (( attr rmsd < 4.865 and attr rmsd > 4.805 )
and bondedto( attr rmsd < 53.124 and attr rmsd > 52.524 ))
( attr rmsd < 0.124 and attr rmsd > 0.064 )
6 6 0 peak 25162 volume 2.75450 ppm1 4.835 ppm2 0.094
assi (( attr rmsd < 2.016 and attr rmsd > 1.956 )
and bondedto( attr rmsd < 41.295 and attr rmsd > 40.695 ))
( attr rmsd < -0.317 and attr rmsd > -0.377 )
6 6 0 peak 25172 volume 2.14560 ppm1 1.986 ppm2 -0.347
assi (( attr rmsd < 2.003 and attr rmsd > 1.943 )
and bondedto( attr rmsd < 41.295 and attr rmsd > 40.695 ))
( attr rmsd < 0.766 and attr rmsd > 0.706 )
6 6 0 peak 25182 volume 3.83090 ppm1 1.973 ppm2 0.736
assi (( attr rmsd < 5.008 and attr rmsd > 4.948 )
and bondedto( attr rmsd < 56.82 and attr rmsd > 56.22 ))
( attr rmsd < 0.104 and attr rmsd > 0.044 )
6 6 0 peak 25202 volume 8.13070 ppm1 4.978 ppm2 0.074
assi (( attr rmsd < 3.866 and attr rmsd > 3.806 )
and bondedto( attr rmsd < 49.92 and attr rmsd > 49.32 ))
( attr rmsd < 6.9 and attr rmsd > 6.84 )
6 6 0 peak 25222 volume 3.02530 ppm1 3.836 ppm2 6.870
assi (( attr rmsd < 2.876 and attr rmsd > 2.816 )
and bondedto( attr rmsd < 40.802 and attr rmsd > 40.202 ))
( attr rmsd < 0.984 and attr rmsd > 0.924 )
6 6 0 peak 25232 volume 6.28820 ppm1 2.846 ppm2 0.954
assi (( attr rmsd < 2.547 and attr rmsd > 2.487 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 2.969 and attr rmsd > 2.909 )
6 6 0 peak 25242 volume 5.75250 ppm1 2.517 ppm2 2.939
assi (( attr rmsd < 2.549 and attr rmsd > 2.489 )
and bondedto( attr rmsd < 32.423 and attr rmsd > 31.823 ))
( attr rmsd < 3.108 and attr rmsd > 3.048 )
6 6 0 peak 25252 volume 3.08940 ppm1 2.519 ppm2 3.078
assi (( attr rmsd < 3.315 and attr rmsd > 3.255 )
and bondedto( attr rmsd < 43.513 and attr rmsd > 42.913 ))
( attr rmsd < 2.996 and attr rmsd > 2.936 )
6 6 0 peak 25332 volume 12.94210 ppm1 3.285 ppm2 2.966
assi (( attr rmsd < 0.957 and attr rmsd > 0.897 )
and bondedto( attr rmsd < 23.798 and attr rmsd > 23.198 ))
( attr rmsd < 4.721 and attr rmsd > 4.661 )
6 6 0 peak 25342 volume 15.85080 ppm1 0.927 ppm2 4.691
assi (( attr rmsd < 4.485 and attr rmsd > 4.425 )
and bondedto( attr rmsd < 56.081 and attr rmsd > 55.481 ))
( attr rmsd < 3.995 and attr rmsd > 3.935 )
6 6 0 peak 25352 volume 20.37090 ppm1 4.455 ppm2 3.965
assi (( attr rmsd < 3.997 and attr rmsd > 3.937 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 4.485 and attr rmsd > 4.425 )
6 6 0 peak 25362 volume 21.58810 ppm1 3.967 ppm2 4.455
assi (( attr rmsd < 3.982 and attr rmsd > 3.922 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 2.455 and attr rmsd > 2.395 )
6 6 0 peak 25372 volume 7.04140 ppm1 3.952 ppm2 2.425
assi (( attr rmsd < 3.994 and attr rmsd > 3.934 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 1.287 and attr rmsd > 1.227 )
6 6 0 peak 25382 volume 10.32480 ppm1 3.964 ppm2 1.257
assi (( attr rmsd < 4.001 and attr rmsd > 3.941 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 1.492 and attr rmsd > 1.432 )
6 6 0 peak 25392 volume 14.09110 ppm1 3.971 ppm2 1.462
assi (( attr rmsd < 4.007 and attr rmsd > 3.947 )
and bondedto( attr rmsd < 55.095 and attr rmsd > 54.495 ))
( attr rmsd < 0.774 and attr rmsd > 0.714 )
6 6 0 peak 25402 volume 5.67550 ppm1 3.977 ppm2 0.744
assi (( attr rmsd < 1.28 and attr rmsd > 1.22 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 4 and attr rmsd > 3.94 )
6 6 0 peak 25412 volume 5.47880 ppm1 1.250 ppm2 3.970
assi (( attr rmsd < 1.511 and attr rmsd > 1.451 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 3.997 and attr rmsd > 3.937 )
6 6 0 peak 25422 volume 2.95410 ppm1 1.481 ppm2 3.967
assi (( attr rmsd < 1.52 and attr rmsd > 1.46 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 4.474 and attr rmsd > 4.414 )
6 6 0 peak 25432 volume 4.28860 ppm1 1.490 ppm2 4.444
assi (( attr rmsd < 1.281 and attr rmsd > 1.221 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.451 and attr rmsd > 2.391 )
6 6 0 peak 25442 volume 13.38050 ppm1 1.251 ppm2 2.421
assi (( attr rmsd < 1.487 and attr rmsd > 1.427 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.453 and attr rmsd > 2.393 )
6 6 0 peak 25452 volume 11.80780 ppm1 1.457 ppm2 2.423
assi (( attr rmsd < 1.283 and attr rmsd > 1.223 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 0.798 and attr rmsd > 0.738 )
6 6 0 peak 25462 volume 5.31020 ppm1 1.253 ppm2 0.768
assi (( attr rmsd < 1.496 and attr rmsd > 1.436 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 0.786 and attr rmsd > 0.726 )
6 6 0 peak 25472 volume 5.26860 ppm1 1.466 ppm2 0.756
assi (( attr rmsd < 1.278 and attr rmsd > 1.218 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.24 and attr rmsd > 2.18 )
6 6 0 peak 25482 volume 22.21960 ppm1 1.248 ppm2 2.210
assi (( attr rmsd < 1.492 and attr rmsd > 1.432 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.241 and attr rmsd > 2.181 )
6 6 0 peak 25492 volume 25.42030 ppm1 1.462 ppm2 2.211
assi (( attr rmsd < 1.492 and attr rmsd > 1.432 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.079 and attr rmsd > 2.019 )
6 6 0 peak 25502 volume 21.94760 ppm1 1.462 ppm2 2.049
assi (( attr rmsd < 1.281 and attr rmsd > 1.221 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 2.079 and attr rmsd > 2.019 )
6 6 0 peak 25512 volume 24.14620 ppm1 1.251 ppm2 2.049
assi (( attr rmsd < 2.245 and attr rmsd > 2.185 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 1.284 and attr rmsd > 1.224 )
6 6 0 peak 25522 volume 27.12030 ppm1 2.215 ppm2 1.254
assi (( attr rmsd < 2.241 and attr rmsd > 2.181 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 1.492 and attr rmsd > 1.432 )
6 6 0 peak 25532 volume 28.09890 ppm1 2.211 ppm2 1.462
assi (( attr rmsd < 2.073 and attr rmsd > 2.013 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 1.285 and attr rmsd > 1.225 )
6 6 0 peak 25542 volume 29.84510 ppm1 2.043 ppm2 1.255
assi (( attr rmsd < 2.069 and attr rmsd > 2.009 )
and bondedto( attr rmsd < 30.205 and attr rmsd > 29.605 ))
( attr rmsd < 1.492 and attr rmsd > 1.432 )
6 6 0 peak 25552 volume 29.87780 ppm1 2.039 ppm2 1.462
assi (( attr rmsd < 2.451 and attr rmsd > 2.391 )
and bondedto( attr rmsd < 34.148 and attr rmsd > 33.548 ))
( attr rmsd < 0.792 and attr rmsd > 0.732 )
6 6 0 peak 25562 volume 33.08550 ppm1 2.421 ppm2 0.762
assi (( attr rmsd < 1.767 and attr rmsd > 1.707 )
and bondedto( attr rmsd < 42.774 and attr rmsd > 42.174 ))
( attr rmsd < 0.393 and attr rmsd > 0.333 )
6 6 0 peak 25592 volume 1.02200 ppm1 1.737 ppm2 0.363
assi (( attr rmsd < 4.651 and attr rmsd > 4.591 )
and bondedto( attr rmsd < 63.721 and attr rmsd > 63.121 ))
( attr rmsd < 1.141 and attr rmsd > 1.081 )
6 6 0 peak 25602 volume 5.52810 ppm1 4.621 ppm2 1.111
assi (( attr rmsd < 4.247 and attr rmsd > 4.187 )
and bondedto( attr rmsd < 58.053 and attr rmsd > 57.453 ))
( attr rmsd < 1.682 and attr rmsd > 1.622 )
6 6 0 peak 25612 volume 21.43130 ppm1 4.217 ppm2 1.652
assi (( attr rmsd < 4.245 and attr rmsd > 4.185 )
and bondedto( attr rmsd < 58.053 and attr rmsd > 57.453 ))
( attr rmsd < 1.46 and attr rmsd > 1.4 )
6 6 0 peak 25622 volume 7.80240 ppm1 4.215 ppm2 1.430
assi (( attr rmsd < 4.249 and attr rmsd > 4.189 )
and bondedto( attr rmsd < 58.053 and attr rmsd > 57.453 ))
( attr rmsd < 2.087 and attr rmsd > 2.027 )
6 6 0 peak 25632 volume 5.84340 ppm1 4.219 ppm2 2.057
assi (( attr rmsd < 0.944 and attr rmsd > 0.884 )
and bondedto( attr rmsd < 24.044 and attr rmsd > 23.444 ))
( attr rmsd < 2.045 and attr rmsd > 1.985 )
6 6 0 peak 25672 volume 7.94010 ppm1 0.914 ppm2 2.015
assi (( attr rmsd < 1.922 and attr rmsd > 1.862 )
and bondedto( attr rmsd < 29.712 and attr rmsd > 29.112 ))
( attr rmsd < 4.438 and attr rmsd > 4.378 )
6 6 0 peak 25692 volume 11.08150 ppm1 1.892 ppm2 4.408
Contact the webmaster for help, if required. Saturday, April 20, 2024 9:16:35 AM GMT (wattos1)