NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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1030 |
17ra   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 1H5* G 1 36.434 -5.308 -7.345
2 2H5* G 1 2H5* G 1 37.533 -5.043 -8.723
3 H4* G 1 H4* G 1 36.243 -6.549 -10.082
4 H3* G 1 H3* G 1 34.089 -6.173 -7.960
5 1H2* G 1 1H2* G 1 33.294 -8.345 -8.391
6 2HO* G 1 2HO* G 1 33.856 -9.506 -10.242
7 H1* G 1 H1* G 1 35.757 -9.572 -8.727
8 H8 G 1 H8 G 1 35.670 -7.179 -5.754
9 H1 G 1 H1 G 1 33.342 -12.958 -4.361
10 1H2 G 1 1H2 G 1 33.541 -13.530 -7.800
11 2H2 G 1 2H2 G 1 33.116 -14.156 -6.224
12 H5T G 1 H5T G 1 35.846 -3.936 -9.762
13 1H5* G 2 1H5* G 2 31.908 -7.466 -11.801
14 2H5* G 2 2H5* G 2 30.337 -6.621 -11.752
15 H4* G 2 H4* G 2 30.320 -9.189 -12.015
16 H3* G 2 H3* G 2 28.882 -7.791 -9.713
17 1H2* G 2 1H2* G 2 28.016 -9.880 -9.045
18 2HO* G 2 2HO* G 2 27.375 -10.684 -11.057
19 H1* G 2 H1* G 2 30.322 -11.357 -9.525
20 H8 G 2 H8 G 2 31.045 -8.046 -7.786
21 H1 G 2 H1 G 2 29.191 -12.607 -3.725
22 1H2 G 2 1H2 G 2 28.437 -14.436 -6.605
23 2H2 G 2 2H2 G 2 28.464 -14.382 -4.857
24 1H5* C 3 1H5* C 3 24.807 -9.110 -12.148
25 2H5* C 3 2H5* C 3 23.856 -7.730 -11.565
26 H4* C 3 H4* C 3 23.038 -10.170 -11.027
27 H3* C 3 H3* C 3 23.265 -7.915 -8.975
28 1H2* C 3 1H2* C 3 22.294 -9.367 -7.384
29 2HO* C 3 2HO* C 3 20.613 -10.251 -8.558
30 H1* C 3 H1* C 3 23.644 -11.663 -8.184
31 1H4 C 3 1H4 C 3 27.559 -8.301 -3.985
32 2H4 C 3 2H4 C 3 26.757 -9.525 -3.028
33 H5 C 3 H5 C 3 27.069 -7.917 -6.317
34 H6 C 3 H6 C 3 25.706 -8.619 -8.224
35 1H5* G 4 1H5* G 4 18.796 -9.055 -9.296
36 2H5* G 4 2H5* G 4 17.821 -7.658 -8.769
37 H4* G 4 H4* G 4 17.590 -10.000 -7.571
38 H3* G 4 H3* G 4 17.968 -7.333 -6.126
39 1H2* G 4 1H2* G 4 17.734 -8.483 -4.076
40 2HO* G 4 2HO* G 4 16.922 -10.590 -3.948
41 H1* G 4 H1* G 4 19.178 -10.735 -4.796
42 H8 G 4 H8 G 4 20.986 -7.595 -5.904
43 H1 G 4 H1 G 4 21.814 -8.859 0.298
44 1H2 G 4 1H2 G 4 20.432 -10.478 0.935
45 2H2 G 4 2H2 G 4 19.309 -11.239 -0.169
46 1H5* U 5 1H5* U 5 13.620 -8.166 -3.803
47 2H5* U 5 2H5* U 5 13.248 -6.464 -4.143
48 H4* U 5 H4* U 5 13.372 -7.270 -1.643
49 H3* U 5 H3* U 5 14.723 -4.785 -2.783
50 1H2* U 5 1H2* U 5 15.521 -4.251 -0.634
51 2HO* U 5 2HO* U 5 14.701 -5.187 1.242
52 H1* U 5 H1* U 5 16.136 -6.836 0.175
53 H3 U 5 H3 U 5 20.051 -4.441 -0.096
54 H5 U 5 H5 U 5 19.246 -5.709 -4.036
55 H6 U 5 H6 U 5 17.062 -6.432 -3.288
56 1H5* A 6 1H5* A 6 12.119 -3.812 0.856
57 2H5* A 6 2H5* A 6 11.489 -2.162 0.668
58 H4* A 6 H4* A 6 12.776 -2.729 2.856
59 H3* A 6 H3* A 6 13.099 -0.339 1.074
60 1H2* A 6 1H2* A 6 15.172 0.211 1.787
61 2HO* A 6 2HO* A 6 14.285 -0.534 4.397
62 H1* A 6 H1* A 6 15.694 -2.126 3.485
63 H8 A 6 H8 A 6 16.123 -1.811 -0.335
64 1H6 A 6 1H6 A 6 22.132 -1.008 0.774
65 2H6 A 6 2H6 A 6 20.918 -1.210 -0.469
66 H2 A 6 H2 A 6 19.993 -1.143 4.724
67 1H5* A 7 1H5* A 7 12.996 3.918 3.924
68 2H5* A 7 2H5* A 7 13.959 3.027 2.725
69 H4* A 7 H4* A 7 14.622 3.171 5.705
70 H3* A 7 H3* A 7 15.604 4.774 3.305
71 1H2* A 7 1H2* A 7 17.771 4.801 4.215
72 2HO* A 7 2HO* A 7 16.670 3.797 6.655
73 H1* A 7 H1* A 7 17.791 2.203 5.185
74 H8 A 7 H8 A 7 16.301 2.551 1.679
75 1H6 A 7 1H6 A 7 22.024 2.006 -0.527
76 2H6 A 7 2H6 A 7 20.327 2.100 -0.943
77 H2 A 7 H2 A 7 22.293 2.303 3.948
78 1H5* G 8 1H5* G 8 16.430 7.661 7.074
79 2H5* G 8 2H5* G 8 16.653 9.244 6.283
80 H4* G 8 H4* G 8 18.576 8.179 7.746
81 H3* G 8 H3* G 8 18.960 9.308 4.933
82 1H2* G 8 1H2* G 8 21.274 8.913 5.164
83 2HO* G 8 2HO* G 8 22.250 8.489 7.145
84 H1* G 8 H1* G 8 21.060 6.464 6.449
85 H8 G 8 H8 G 8 18.671 6.869 3.491
86 H1 G 8 H1 G 8 24.528 5.030 1.739
87 1H2 G 8 1H2 G 8 25.377 5.646 5.072
88 2H2 G 8 2H2 G 8 25.906 5.124 3.488
89 1H5* G 9 1H5* G 9 21.816 11.626 7.453
90 2H5* G 9 2H5* G 9 22.106 13.208 6.687
91 H4* G 9 H4* G 9 24.079 11.487 7.029
92 H3* G 9 H3* G 9 23.471 12.891 4.392
93 1H2* G 9 1H2* G 9 25.472 11.929 3.543
94 2HO* G 9 2HO* G 9 26.061 10.888 6.129
95 H1* G 9 H1* G 9 25.050 9.416 4.600
96 H8 G 9 H8 G 9 21.675 10.422 3.420
97 H1 G 9 H1 G 9 25.505 9.184 -1.532
98 1H2 G 9 1H2 G 9 28.075 9.277 0.832
99 2H2 G 9 2H2 G 9 27.620 9.060 -0.844
100 1H5* A 10 1H5* A 10 27.271 15.137 5.101
101 2H5* A 10 2H5* A 10 27.130 16.630 4.154
102 H4* A 10 H4* A 10 28.728 14.715 3.315
103 H3* A 10 H3* A 10 26.687 16.215 1.611
104 1H2* A 10 1H2* A 10 27.356 14.965 -0.242
105 2HO* A 10 2HO* A 10 29.611 14.051 1.250
106 H1* A 10 H1* A 10 27.712 12.533 0.999
107 H8 A 10 H8 A 10 24.467 13.253 2.288
108 1H6 A 10 1H6 A 10 21.957 13.072 -3.339
109 2H6 A 10 2H6 A 10 21.624 13.026 -1.622
110 H2 A 10 H2 A 10 26.420 13.467 -3.792
111 1H5* U 11 1H5* U 11 28.260 15.848 -1.848
112 2H5* U 11 2H5* U 11 29.459 17.145 -1.780
113 H4* U 11 H4* U 11 28.499 17.279 -3.968
114 H3* U 11 H3* U 11 28.293 19.482 -2.333
115 1H2* U 11 1H2* U 11 26.115 19.093 -1.518
116 2HO* U 11 2HO* U 11 25.589 20.443 -3.989
117 H1* U 11 H1* U 11 25.169 18.324 -4.292
118 H3 U 11 H3 U 11 21.111 17.104 -2.827
119 H5 U 11 H5 U 11 23.559 16.227 0.491
120 H6 U 11 H6 U 11 25.464 17.021 -0.780
121 1H5* U 12 1H5* U 12 29.833 17.528 -5.743
122 2H5* U 12 2H5* U 12 30.462 18.191 -7.254
123 H4* U 12 H4* U 12 28.507 16.133 -6.892
124 H3* U 12 H3* U 12 30.355 16.846 -8.759
125 1H2* U 12 1H2* U 12 29.243 18.624 -9.718
126 2HO* U 12 2HO* U 12 28.308 17.983 -11.641
127 H1* U 12 H1* U 12 26.532 17.378 -9.652
128 H3 U 12 H3 U 12 25.452 21.448 -11.422
129 H5 U 12 H5 U 12 27.041 22.348 -7.621
130 H6 U 12 H6 U 12 27.668 20.016 -7.400
131 1H5* A 13 1H5* A 13 31.198 11.713 -10.511
132 2H5* A 13 2H5* A 13 29.625 12.287 -11.095
133 H4* A 13 H4* A 13 30.393 11.224 -8.384
134 H3* A 13 H3* A 13 28.839 10.174 -10.382
135 1H2* A 13 1H2* A 13 27.187 11.875 -10.443
136 2HO* A 13 2HO* A 13 26.029 9.977 -9.998
137 H1* A 13 H1* A 13 27.154 11.948 -7.421
138 H8 A 13 H8 A 13 26.726 13.980 -10.681
139 1H6 A 13 1H6 A 13 23.582 17.942 -7.171
140 2H6 A 13 2H6 A 13 23.957 17.476 -8.815
141 H2 A 13 H2 A 13 25.718 15.025 -4.491
142 1H5* C 14 1H5* C 14 31.274 8.490 -8.090
143 2H5* C 14 2H5* C 14 31.522 6.955 -7.247
144 H4* C 14 H4* C 14 32.234 8.923 -5.879
145 H3* C 14 H3* C 14 29.919 7.188 -4.929
146 1H2* C 14 1H2* C 14 29.758 8.477 -2.969
147 2HO* C 14 2HO* C 14 31.394 9.875 -2.291
148 H1* C 14 H1* C 14 30.211 10.959 -4.133
149 1H4 C 14 1H4 C 14 23.788 9.774 -5.140
150 2H4 C 14 2H4 C 14 23.870 10.216 -3.449
151 H5 C 14 H5 C 14 25.761 9.508 -6.542
152 H6 C 14 H6 C 14 28.212 9.392 -6.529
153 1H5* C 15 1H5* C 15 32.980 6.647 -1.757
154 2H5* C 15 2H5* C 15 33.149 4.923 -1.368
155 H4* C 15 H4* C 15 32.651 6.426 0.625
156 H3* C 15 H3* C 15 30.788 4.145 -0.162
157 1H2* C 15 1H2* C 15 29.443 4.608 1.705
158 2HO* C 15 2HO* C 15 30.135 5.881 3.429
159 H1* C 15 H1* C 15 29.590 7.384 1.583
160 1H4 C 15 1H4 C 15 24.787 5.570 -2.619
161 2H4 C 15 2H4 C 15 24.052 5.375 -1.044
162 H5 C 15 H5 C 15 27.120 6.093 -2.932
163 H6 C 15 H6 C 15 29.245 6.553 -1.807
164 1H5* U 16 1H5* U 16 31.156 2.996 3.868
165 2H5* U 16 2H5* U 16 31.268 1.225 3.908
166 H4* U 16 H4* U 16 29.167 2.371 4.969
167 H3* U 16 H3* U 16 29.068 0.058 2.979
168 1H2* U 16 1H2* U 16 26.719 0.003 3.226
169 2HO* U 16 2HO* U 16 25.648 1.034 4.917
170 H1* U 16 H1* U 16 26.326 2.752 3.326
171 H3 U 16 H3 U 16 24.300 1.173 -0.483
172 H5 U 16 H5 U 16 28.385 1.485 -1.479
173 H6 U 16 H6 U 16 28.857 1.950 0.851
174 1H5* A 17 1H5* A 17 27.226 -0.832 7.205
175 2H5* A 17 2H5* A 17 27.766 -2.471 7.625
176 H4* A 17 H4* A 17 25.363 -2.005 8.231
177 H3* A 17 H3* A 17 26.048 -4.193 6.248
178 1H2* A 17 1H2* A 17 23.755 -4.760 6.138
179 2HO* A 17 2HO* A 17 22.244 -4.013 7.635
180 H1* A 17 H1* A 17 22.748 -2.193 6.109
181 H8 A 17 H8 A 17 25.758 -2.205 3.865
182 1H6 A 17 1H6 A 17 22.300 -4.715 -0.565
183 2H6 A 17 2H6 A 17 23.839 -3.974 -0.191
184 H2 A 17 H2 A 17 19.938 -4.827 3.262
185 1H5* U 18 1H5* U 18 23.874 -6.478 8.815
186 2H5* U 18 2H5* U 18 24.540 -8.119 8.955
187 H4* U 18 H4* U 18 22.300 -7.993 7.774
188 H3* U 18 H3* U 18 24.765 -9.062 6.325
189 1H2* U 18 1H2* U 18 23.413 -9.576 4.470
190 2HO* U 18 2HO* U 18 21.670 -10.555 5.471
191 H1* U 18 H1* U 18 21.807 -7.309 4.574
192 H3 U 18 H3 U 18 24.291 -7.293 0.681
193 H5 U 18 H5 U 18 26.810 -5.631 3.629
194 H6 U 18 H6 U 18 25.173 -6.258 5.304
195 1H5* G 19 1H5* G 19 22.311 -13.546 6.644
196 2H5* G 19 2H5* G 19 23.894 -14.363 6.569
197 H4* G 19 H4* G 19 21.997 -14.916 4.812
198 H3* G 19 H3* G 19 24.887 -14.248 4.076
199 1H2* G 19 1H2* G 19 24.350 -14.760 1.833
200 2HO* G 19 2HO* G 19 22.486 -15.860 1.246
201 H1* G 19 H1* G 19 21.854 -13.544 1.842
202 H8 G 19 H8 G 19 24.490 -11.435 3.595
203 H1 G 19 H1 G 19 24.716 -10.852 -2.751
204 1H2 G 19 1H2 G 19 22.456 -13.510 -2.777
205 2H2 G 19 2H2 G 19 23.392 -12.361 -3.708
206 1H5* C 20 1H5* C 20 24.256 -18.244 2.124
207 2H5* C 20 2H5* C 20 25.771 -19.130 2.387
208 H4* C 20 H4* C 20 25.056 -18.999 -0.034
209 H3* C 20 H3* C 20 27.698 -17.695 0.796
210 1H2* C 20 1H2* C 20 28.114 -17.367 -1.514
211 2HO* C 20 2HO* C 20 25.840 -18.999 -2.091
212 H1* C 20 H1* C 20 25.508 -16.645 -2.175
213 1H4 C 20 1H4 C 20 28.640 -11.200 -0.004
214 2H4 C 20 2H4 C 20 28.858 -11.212 -1.738
215 H5 C 20 H5 C 20 27.584 -13.002 1.207
216 H6 C 20 H6 C 20 26.515 -15.194 1.013
217 1H5* C 21 1H5* C 21 28.504 -20.970 -2.214
218 2H5* C 21 2H5* C 21 30.143 -21.610 -1.978
219 H4* C 21 H4* C 21 29.485 -20.610 -4.318
220 H3* C 21 H3* C 21 32.032 -19.932 -2.770
221 1H2* C 21 1H2* C 21 32.733 -18.626 -4.605
222 2HO* C 21 2HO* C 21 31.753 -18.767 -6.642
223 H1* C 21 H1* C 21 30.237 -17.545 -5.205
224 1H4 C 21 1H4 C 21 32.994 -13.798 -0.455
225 2H4 C 21 2H4 C 21 33.376 -13.013 -1.971
226 H5 C 21 H5 C 21 31.869 -15.929 -0.318
227 H6 C 21 H6 C 21 30.873 -17.760 -1.601
228 H3T C 21 H3T C 21 32.875 -21.422 -4.267
Start of MODEL 2
1 1H5* G 1 1H5* G 1 35.579 -10.837 -11.606
2 2H5* G 1 2H5* G 1 35.887 -11.650 -10.048
3 H4* G 1 H4* G 1 34.492 -12.838 -12.516
4 H3* G 1 H3* G 1 33.455 -11.650 -9.907
5 1H2* G 1 1H2* G 1 31.730 -13.248 -9.869
6 2HO* G 1 2HO* G 1 30.920 -14.147 -11.638
7 H1* G 1 H1* G 1 33.214 -15.405 -10.780
8 H8 G 1 H8 G 1 35.160 -13.430 -8.191
9 H1 G 1 H1 G 1 30.887 -17.371 -5.548
10 1H2 G 1 1H2 G 1 29.705 -17.775 -8.809
11 2H2 G 1 2H2 G 1 29.543 -18.197 -7.120
12 H5T G 1 H5T G 1 36.972 -12.266 -12.601
13 1H5* G 2 1H5* G 2 29.996 -11.836 -12.961
14 2H5* G 2 2H5* G 2 29.003 -10.384 -12.662
15 H4* G 2 H4* G 2 27.820 -12.686 -12.731
16 H3* G 2 H3* G 2 27.622 -10.811 -10.332
17 1H2* G 2 1H2* G 2 26.097 -12.302 -9.333
18 2HO* G 2 2HO* G 2 25.111 -13.992 -10.501
19 H1* G 2 H1* G 2 27.375 -14.649 -10.099
20 H8 G 2 H8 G 2 29.908 -12.132 -8.849
21 H1 G 2 H1 G 2 26.879 -15.079 -4.068
22 1H2 G 2 1H2 G 2 24.757 -16.290 -6.562
23 2H2 G 2 2H2 G 2 25.155 -16.243 -4.859
24 1H5* C 3 1H5* C 3 23.270 -10.847 -11.985
25 2H5* C 3 2H5* C 3 22.547 -9.319 -11.442
26 H4* C 3 H4* C 3 21.509 -11.590 -10.621
27 H3* C 3 H3* C 3 22.202 -9.229 -8.810
28 1H2* C 3 1H2* C 3 21.254 -10.421 -7.007
29 2HO* C 3 2HO* C 3 20.243 -12.346 -8.859
30 H1* C 3 H1* C 3 22.232 -12.925 -7.721
31 1H4 C 3 1H4 C 3 26.918 -9.750 -4.223
32 2H4 C 3 2H4 C 3 26.078 -10.784 -3.088
33 H5 C 3 H5 C 3 26.246 -9.501 -6.530
34 H6 C 3 H6 C 3 24.625 -10.180 -8.233
35 1H5* G 4 1H5* G 4 17.777 -10.167 -8.510
36 2H5* G 4 2H5* G 4 16.864 -8.717 -8.020
37 H4* G 4 H4* G 4 16.737 -10.941 -6.601
38 H3* G 4 H3* G 4 17.262 -8.163 -5.442
39 1H2* G 4 1H2* G 4 17.216 -9.122 -3.284
40 2HO* G 4 2HO* G 4 16.390 -11.175 -2.881
41 H1* G 4 H1* G 4 18.578 -11.447 -3.932
42 H8 G 4 H8 G 4 20.294 -8.449 -5.485
43 H1 G 4 H1 G 4 21.718 -9.178 0.693
44 1H2 G 4 1H2 G 4 20.379 -10.694 1.610
45 2H2 G 4 2H2 G 4 19.138 -11.524 0.697
46 1H5* U 5 1H5* U 5 13.616 -9.031 -2.684
47 2H5* U 5 2H5* U 5 12.744 -7.527 -3.047
48 H4* U 5 H4* U 5 13.212 -7.875 -0.585
49 H3* U 5 H3* U 5 14.368 -5.472 -2.063
50 1H2* U 5 1H2* U 5 15.277 -4.682 -0.042
51 2HO* U 5 2HO* U 5 13.710 -6.639 1.331
52 H1* U 5 H1* U 5 16.058 -7.137 0.990
53 H3 U 5 H3 U 5 19.849 -4.657 0.218
54 H5 U 5 H5 U 5 18.863 -6.384 -3.502
55 H6 U 5 H6 U 5 16.755 -7.083 -2.546
56 1H5* A 6 1H5* A 6 12.007 -4.181 1.637
57 2H5* A 6 2H5* A 6 11.265 -2.607 1.283
58 H4* A 6 H4* A 6 12.697 -2.734 3.414
59 H3* A 6 H3* A 6 12.998 -0.710 1.203
60 1H2* A 6 1H2* A 6 15.020 0.055 1.901
61 2HO* A 6 2HO* A 6 14.170 -0.543 4.561
62 H1* A 6 H1* A 6 15.744 -2.083 3.716
63 H8 A 6 H8 A 6 15.636 -2.206 -0.137
64 1H6 A 6 1H6 A 6 21.723 -1.274 0.023
65 2H6 A 6 2H6 A 6 20.351 -1.610 -1.008
66 H2 A 6 H2 A 6 20.162 -1.003 4.230
67 1H5* A 7 1H5* A 7 13.083 3.955 3.226
68 2H5* A 7 2H5* A 7 13.992 2.762 2.272
69 H4* A 7 H4* A 7 14.597 3.291 5.212
70 H3* A 7 H3* A 7 15.635 4.706 2.717
71 1H2* A 7 1H2* A 7 17.782 4.792 3.676
72 2HO* A 7 2HO* A 7 16.609 3.987 6.157
73 H1* A 7 H1* A 7 17.756 2.278 4.851
74 H8 A 7 H8 A 7 16.387 2.290 1.287
75 1H6 A 7 1H6 A 7 22.196 1.643 -0.663
76 2H6 A 7 2H6 A 7 20.513 1.657 -1.143
77 H2 A 7 H2 A 7 22.299 2.386 3.768
78 1H5* G 8 1H5* G 8 16.184 7.101 6.745
79 2H5* G 8 2H5* G 8 16.503 8.818 6.385
80 H4* G 8 H4* G 8 18.138 7.432 7.928
81 H3* G 8 H3* G 8 18.991 9.190 5.586
82 1H2* G 8 1H2* G 8 21.242 8.710 6.074
83 2HO* G 8 2HO* G 8 20.386 7.545 8.538
84 H1* G 8 H1* G 8 20.907 6.036 6.721
85 H8 G 8 H8 G 8 18.973 7.005 3.590
86 H1 G 8 H1 G 8 25.150 5.891 2.427
87 1H2 G 8 1H2 G 8 25.460 5.785 5.906
88 2H2 G 8 2H2 G 8 26.250 5.655 4.351
89 1H5* G 9 1H5* G 9 21.300 10.595 9.177
90 2H5* G 9 2H5* G 9 21.657 12.330 8.987
91 H4* G 9 H4* G 9 23.608 10.573 9.251
92 H3* G 9 H3* G 9 23.499 12.701 7.070
93 1H2* G 9 1H2* G 9 25.694 12.023 6.448
94 2HO* G 9 2HO* G 9 26.943 10.661 7.715
95 H1* G 9 H1* G 9 25.200 9.313 6.581
96 H8 G 9 H8 G 9 22.084 10.649 5.073
97 H1 G 9 H1 G 9 26.900 11.006 0.898
98 1H2 G 9 1H2 G 9 28.931 10.305 3.654
99 2H2 G 9 2H2 G 9 28.835 10.632 1.939
100 1H5* A 10 1H5* A 10 26.899 14.662 9.209
101 2H5* A 10 2H5* A 10 26.825 16.367 8.730
102 H4* A 10 H4* A 10 28.704 14.825 7.725
103 H3* A 10 H3* A 10 26.920 16.733 6.143
104 1H2* A 10 1H2* A 10 28.038 16.114 4.190
105 2HO* A 10 2HO* A 10 30.022 14.832 5.791
106 H1* A 10 H1* A 10 28.334 13.427 4.714
107 H8 A 10 H8 A 10 24.848 13.720 5.467
108 1H6 A 10 1H6 A 10 23.509 15.125 -0.384
109 2H6 A 10 2H6 A 10 22.849 14.595 1.147
110 H2 A 10 H2 A 10 27.943 15.645 0.219
111 1H5* U 11 1H5* U 11 29.236 17.423 3.156
112 2H5* U 11 2H5* U 11 30.267 18.682 3.849
113 H4* U 11 H4* U 11 29.789 19.390 1.610
114 H3* U 11 H3* U 11 29.063 21.050 3.677
115 1H2* U 11 1H2* U 11 26.799 20.406 3.842
116 2HO* U 11 2HO* U 11 25.592 22.066 2.848
117 H1* U 11 H1* U 11 26.534 20.425 0.826
118 H3 U 11 H3 U 11 22.374 18.759 0.931
119 H5 U 11 H5 U 11 24.099 17.067 4.386
120 H6 U 11 H6 U 11 26.165 18.216 3.844
121 1H5* U 12 1H5* U 12 31.417 20.123 0.350
122 2H5* U 12 2H5* U 12 32.337 21.183 -0.719
123 H4* U 12 H4* U 12 30.540 19.074 -1.425
124 H3* U 12 H3* U 12 32.714 20.307 -2.500
125 1H2* U 12 1H2* U 12 31.729 22.258 -3.222
126 2HO* U 12 2HO* U 12 32.366 21.685 -5.193
127 H1* U 12 H1* U 12 29.201 20.993 -4.184
128 H3 U 12 H3 U 12 28.249 25.377 -5.047
129 H5 U 12 H5 U 12 28.763 25.218 -0.864
130 H6 U 12 H6 U 12 29.517 22.924 -1.105
131 1H5* A 13 1H5* A 13 33.931 16.424 -6.218
132 2H5* A 13 2H5* A 13 32.471 16.364 -7.221
133 H4* A 13 H4* A 13 32.986 15.009 -4.730
134 H3* A 13 H3* A 13 31.481 14.517 -6.962
135 1H2* A 13 1H2* A 13 29.767 16.088 -6.540
136 2HO* A 13 2HO* A 13 27.985 14.922 -5.797
137 H1* A 13 H1* A 13 29.736 15.316 -3.619
138 H8 A 13 H8 A 13 29.582 18.344 -6.068
139 1H6 A 13 1H6 A 13 25.778 20.764 -1.872
140 2H6 A 13 2H6 A 13 26.397 20.936 -3.499
141 H2 A 13 H2 A 13 27.656 17.039 -0.178
142 1H5* C 14 1H5* C 14 33.452 11.553 -5.065
143 2H5* C 14 2H5* C 14 33.235 9.837 -4.691
144 H4* C 14 H4* C 14 34.081 11.268 -2.759
145 H3* C 14 H3* C 14 31.517 9.634 -2.579
146 1H2* C 14 1H2* C 14 31.254 10.295 -0.339
147 2HO* C 14 2HO* C 14 32.922 11.211 0.870
148 H1* C 14 H1* C 14 32.066 12.937 -0.649
149 1H4 C 14 1H4 C 14 25.720 12.890 -2.489
150 2H4 C 14 2H4 C 14 25.640 12.718 -0.751
151 H5 C 14 H5 C 14 27.815 12.905 -3.727
152 H6 C 14 H6 C 14 30.233 12.508 -3.558
153 1H5* C 15 1H5* C 15 33.858 8.105 0.706
154 2H5* C 15 2H5* C 15 34.015 6.341 0.581
155 H4* C 15 H4* C 15 33.227 7.106 2.841
156 H3* C 15 H3* C 15 31.400 5.389 1.104
157 1H2* C 15 1H2* C 15 29.826 5.334 2.848
158 2HO* C 15 2HO* C 15 30.330 5.925 4.969
159 H1* C 15 H1* C 15 30.127 7.972 3.687
160 1H4 C 15 1H4 C 15 25.835 8.084 -1.370
161 2H4 C 15 2H4 C 15 24.888 7.476 -0.031
162 H5 C 15 H5 C 15 28.218 8.445 -1.247
163 H6 C 15 H6 C 15 30.201 8.306 0.184
164 1H5* U 16 1H5* U 16 31.393 3.204 4.777
165 2H5* U 16 2H5* U 16 31.482 1.464 4.432
166 H4* U 16 H4* U 16 29.391 2.412 5.717
167 H3* U 16 H3* U 16 29.282 0.519 3.323
168 1H2* U 16 1H2* U 16 26.932 0.424 3.564
169 2HO* U 16 2HO* U 16 26.287 0.279 5.574
170 H1* U 16 H1* U 16 26.554 3.105 4.182
171 H3 U 16 H3 U 16 24.499 2.333 0.158
172 H5 U 16 H5 U 16 28.596 2.645 -0.783
173 H6 U 16 H6 U 16 29.078 2.699 1.589
174 1H5* A 17 1H5* A 17 27.451 -0.815 7.297
175 2H5* A 17 2H5* A 17 27.911 -2.502 7.603
176 H4* A 17 H4* A 17 25.528 -1.907 8.258
177 H3* A 17 H3* A 17 26.119 -4.088 6.237
178 1H2* A 17 1H2* A 17 23.812 -4.551 6.120
179 2HO* A 17 2HO* A 17 22.338 -3.821 7.656
180 H1* A 17 H1* A 17 22.896 -1.943 6.222
181 H8 A 17 H8 A 17 25.704 -1.843 3.798
182 1H6 A 17 1H6 A 17 22.086 -4.481 -0.435
183 2H6 A 17 2H6 A 17 23.607 -3.662 -0.156
184 H2 A 17 H2 A 17 20.003 -4.767 3.538
185 1H5* U 18 1H5* U 18 23.903 -6.212 8.897
186 2H5* U 18 2H5* U 18 24.473 -7.881 9.105
187 H4* U 18 H4* U 18 22.215 -7.704 7.990
188 H3* U 18 H3* U 18 24.579 -8.932 6.500
189 1H2* U 18 1H2* U 18 23.153 -9.447 4.704
190 2HO* U 18 2HO* U 18 21.407 -10.312 5.833
191 H1* U 18 H1* U 18 21.646 -7.113 4.775
192 H3 U 18 H3 U 18 24.014 -7.334 0.818
193 H5 U 18 H5 U 18 26.676 -5.662 3.631
194 H6 U 18 H6 U 18 25.068 -6.171 5.372
195 1H5* G 19 1H5* G 19 21.699 -12.982 7.229
196 2H5* G 19 2H5* G 19 23.061 -14.131 7.167
197 H4* G 19 H4* G 19 20.985 -14.435 5.577
198 H3* G 19 H3* G 19 23.888 -14.436 4.620
199 1H2* G 19 1H2* G 19 23.095 -15.012 2.471
200 2HO* G 19 2HO* G 19 20.988 -15.731 2.103
201 H1* G 19 H1* G 19 20.886 -13.332 2.498
202 H8 G 19 H8 G 19 23.908 -11.512 3.860
203 H1 G 19 H1 G 19 23.976 -11.870 -2.509
204 1H2 G 19 1H2 G 19 21.324 -14.104 -2.107
205 2H2 G 19 2H2 G 19 22.390 -13.265 -3.212
206 1H5* C 20 1H5* C 20 22.039 -18.520 3.422
207 2H5* C 20 2H5* C 20 23.399 -19.662 3.428
208 H4* C 20 H4* C 20 22.009 -19.486 1.252
209 H3* C 20 H3* C 20 25.046 -19.104 1.281
210 1H2* C 20 1H2* C 20 24.948 -19.058 -1.085
211 2HO* C 20 2HO* C 20 22.206 -19.849 -0.939
212 H1* C 20 H1* C 20 22.621 -17.539 -1.252
213 1H4 C 20 1H4 C 20 27.743 -13.361 -0.545
214 2H4 C 20 2H4 C 20 27.521 -13.549 -2.269
215 H5 C 20 H5 C 20 26.495 -14.624 1.092
216 H6 C 20 H6 C 20 24.775 -16.334 1.424
217 1H5* C 21 1H5* C 21 23.999 -22.597 -1.362
218 2H5* C 21 2H5* C 21 25.345 -23.754 -1.392
219 H4* C 21 H4* C 21 24.502 -22.712 -3.654
220 H3* C 21 H3* C 21 27.425 -22.882 -2.777
221 1H2* C 21 1H2* C 21 28.048 -22.003 -4.876
222 2HO* C 21 2HO* C 21 26.713 -23.255 -6.208
223 H1* C 21 H1* C 21 25.977 -20.150 -5.077
224 1H4 C 21 1H4 C 21 30.870 -17.368 -1.539
225 2H4 C 21 2H4 C 21 31.124 -16.859 -3.193
226 H5 C 21 H5 C 21 29.165 -18.946 -0.892
227 H6 C 21 H6 C 21 27.342 -20.373 -1.686
228 H3T C 21 H3T C 21 27.352 -24.670 -4.145
Start of MODEL 3
1 1H5* G 1 1H5* G 1 34.058 -3.216 -9.003
2 2H5* G 1 2H5* G 1 34.258 -3.681 -7.293
3 H4* G 1 H4* G 1 35.086 -5.307 -9.766
4 H3* G 1 H3* G 1 32.689 -5.445 -7.886
5 1H2* G 1 1H2* G 1 32.707 -7.791 -8.041
6 2HO* G 1 2HO* G 1 32.944 -8.050 -10.258
7 H1* G 1 H1* G 1 35.456 -8.135 -8.004
8 H8 G 1 H8 G 1 34.326 -5.570 -5.432
9 H1 G 1 H1 G 1 33.646 -11.574 -3.378
10 1H2 G 1 1H2 G 1 34.354 -12.464 -6.677
11 2H2 G 1 2H2 G 1 33.966 -12.998 -5.057
12 H5T G 1 H5T G 1 36.257 -3.079 -9.214
13 1H5* G 2 1H5* G 2 31.093 -7.598 -11.722
14 2H5* G 2 2H5* G 2 29.398 -7.043 -11.800
15 H4* G 2 H4* G 2 29.785 -9.574 -11.837
16 H3* G 2 H3* G 2 28.139 -8.264 -9.629
17 1H2* G 2 1H2* G 2 27.650 -10.394 -8.757
18 2HO* G 2 2HO* G 2 28.011 -12.299 -9.931
19 H1* G 2 H1* G 2 30.162 -11.512 -9.163
20 H8 G 2 H8 G 2 30.427 -7.998 -7.749
21 H1 G 2 H1 G 2 29.186 -12.346 -3.246
22 1H2 G 2 1H2 G 2 28.662 -14.523 -5.928
23 2H2 G 2 2H2 G 2 28.689 -14.300 -4.194
24 1H5* C 3 1H5* C 3 24.164 -10.308 -11.801
25 2H5* C 3 2H5* C 3 23.154 -8.926 -11.331
26 H4* C 3 H4* C 3 22.510 -11.329 -10.483
27 H3* C 3 H3* C 3 22.704 -8.860 -8.686
28 1H2* C 3 1H2* C 3 21.837 -10.198 -6.936
29 2HO* C 3 2HO* C 3 20.192 -11.239 -8.172
30 H1* C 3 H1* C 3 23.299 -12.482 -7.556
31 1H4 C 3 1H4 C 3 27.097 -8.496 -3.815
32 2H4 C 3 2H4 C 3 26.354 -9.632 -2.710
33 H5 C 3 H5 C 3 26.572 -8.410 -6.172
34 H6 C 3 H6 C 3 25.220 -9.385 -7.964
35 1H5* G 4 1H5* G 4 18.220 -10.116 -8.717
36 2H5* G 4 2H5* G 4 17.269 -8.676 -8.264
37 H4* G 4 H4* G 4 17.115 -10.902 -6.852
38 H3* G 4 H3* G 4 17.572 -8.123 -5.661
39 1H2* G 4 1H2* G 4 17.430 -9.103 -3.514
40 2HO* G 4 2HO* G 4 16.605 -11.566 -4.687
41 H1* G 4 H1* G 4 18.841 -11.407 -4.122
42 H8 G 4 H8 G 4 20.571 -8.349 -5.555
43 H1 G 4 H1 G 4 21.774 -9.198 0.655
44 1H2 G 4 1H2 G 4 20.429 -10.761 1.484
45 2H2 G 4 2H2 G 4 19.239 -11.590 0.505
46 1H5* U 5 1H5* U 5 13.481 -8.824 -3.003
47 2H5* U 5 2H5* U 5 12.976 -7.180 -3.445
48 H4* U 5 H4* U 5 13.291 -7.732 -0.914
49 H3* U 5 H3* U 5 14.525 -5.333 -2.337
50 1H2* U 5 1H2* U 5 15.419 -4.603 -0.287
51 2HO* U 5 2HO* U 5 14.713 -5.374 1.703
52 H1* U 5 H1* U 5 16.126 -7.099 0.706
53 H3 U 5 H3 U 5 19.958 -4.644 0.035
54 H5 U 5 H5 U 5 19.033 -6.339 -3.714
55 H6 U 5 H6 U 5 16.897 -7.019 -2.808
56 1H5* A 6 1H5* A 6 12.053 -4.090 1.335
57 2H5* A 6 2H5* A 6 11.373 -2.481 1.017
58 H4* A 6 H4* A 6 12.736 -2.782 3.200
59 H3* A 6 H3* A 6 13.036 -0.603 1.149
60 1H2* A 6 1H2* A 6 15.084 0.072 1.845
61 2HO* A 6 2HO* A 6 15.568 0.057 4.179
62 H1* A 6 H1* A 6 15.706 -2.128 3.657
63 H8 A 6 H8 A 6 15.896 -2.121 -0.192
64 1H6 A 6 1H6 A 6 21.942 -1.134 0.465
65 2H6 A 6 2H6 A 6 20.658 -1.452 -0.679
66 H2 A 6 H2 A 6 20.056 -0.995 4.543
67 1H5* A 7 1H5* A 7 13.042 3.932 3.512
68 2H5* A 7 2H5* A 7 13.979 2.875 2.432
69 H4* A 7 H4* A 7 14.637 3.266 5.389
70 H3* A 7 H3* A 7 15.612 4.738 2.903
71 1H2* A 7 1H2* A 7 17.779 4.821 3.812
72 2HO* A 7 2HO* A 7 16.670 3.964 6.304
73 H1* A 7 H1* A 7 17.804 2.283 4.935
74 H8 A 7 H8 A 7 16.336 2.351 1.413
75 1H6 A 7 1H6 A 7 22.090 1.811 -0.723
76 2H6 A 7 2H6 A 7 20.394 1.816 -1.153
77 H2 A 7 H2 A 7 22.321 2.462 3.716
78 1H5* G 8 1H5* G 8 16.277 7.336 6.899
79 2H5* G 8 2H5* G 8 16.574 9.009 6.353
80 H4* G 8 H4* G 8 18.301 7.768 7.922
81 H3* G 8 H3* G 8 19.006 9.282 5.369
82 1H2* G 8 1H2* G 8 21.283 8.836 5.757
83 2HO* G 8 2HO* G 8 22.051 8.082 7.761
84 H1* G 8 H1* G 8 20.987 6.240 6.684
85 H8 G 8 H8 G 8 18.875 7.021 3.595
86 H1 G 8 H1 G 8 24.890 5.428 2.167
87 1H2 G 8 1H2 G 8 25.424 5.616 5.617
88 2H2 G 8 2H2 G 8 26.101 5.300 4.035
89 1H5* G 9 1H5* G 9 21.611 11.088 8.492
90 2H5* G 9 2H5* G 9 21.942 12.781 8.043
91 H4* G 9 H4* G 9 23.907 11.029 8.256
92 H3* G 9 H3* G 9 23.510 12.875 5.858
93 1H2* G 9 1H2* G 9 25.593 12.079 5.039
94 2HO* G 9 2HO* G 9 26.998 10.850 6.303
95 H1* G 9 H1* G 9 25.143 9.417 5.643
96 H8 G 9 H8 G 9 21.887 10.567 4.273
97 H1 G 9 H1 G 9 26.254 10.153 -0.366
98 1H2 G 9 1H2 G 9 28.551 9.874 2.253
99 2H2 G 9 2H2 G 9 28.284 9.922 0.525
100 1H5* A 10 1H5* A 10 27.176 15.075 7.161
101 2H5* A 10 2H5* A 10 27.000 16.688 6.449
102 H4* A 10 H4* A 10 28.711 14.986 5.397
103 H3* A 10 H3* A 10 26.673 16.657 3.854
104 1H2* A 10 1H2* A 10 27.460 15.728 1.859
105 2HO* A 10 2HO* A 10 29.700 14.720 3.316
106 H1* A 10 H1* A 10 27.867 13.147 2.739
107 H8 A 10 H8 A 10 24.533 13.708 4.009
108 1H6 A 10 1H6 A 10 22.274 13.914 -1.724
109 2H6 A 10 2H6 A 10 21.865 13.739 -0.032
110 H2 A 10 H2 A 10 26.748 14.376 -1.936
111 1H5* U 11 1H5* U 11 28.867 16.886 0.531
112 2H5* U 11 2H5* U 11 29.840 18.315 0.903
113 H4* U 11 H4* U 11 29.149 18.538 -1.404
114 H3* U 11 H3* U 11 28.530 20.540 0.375
115 1H2* U 11 1H2* U 11 26.323 19.854 0.881
116 2HO* U 11 2HO* U 11 26.147 21.985 0.099
117 H1* U 11 H1* U 11 25.778 19.310 -2.040
118 H3 U 11 H3 U 11 21.742 17.532 -1.246
119 H5 U 11 H5 U 11 23.770 16.788 2.374
120 H6 U 11 H6 U 11 25.742 17.814 1.411
121 1H5* U 12 1H5* U 12 31.070 19.841 -2.765
122 2H5* U 12 2H5* U 12 31.631 20.682 -4.218
123 H4* U 12 H4* U 12 29.998 18.331 -4.020
124 H3* U 12 H3* U 12 31.752 19.427 -5.775
125 1H2* U 12 1H2* U 12 30.424 21.040 -6.739
126 2HO* U 12 2HO* U 12 30.897 19.762 -8.513
127 H1* U 12 H1* U 12 27.963 19.335 -6.799
128 H3 U 12 H3 U 12 26.189 23.165 -8.514
129 H5 U 12 H5 U 12 27.538 24.274 -4.676
130 H6 U 12 H6 U 12 28.572 22.089 -4.477
131 1H5* A 13 1H5* A 13 32.935 14.792 -8.430
132 2H5* A 13 2H5* A 13 31.459 14.479 -9.361
133 H4* A 13 H4* A 13 32.122 13.585 -6.705
134 H3* A 13 H3* A 13 30.597 12.651 -8.776
135 1H2* A 13 1H2* A 13 28.805 14.171 -8.555
136 2HO* A 13 2HO* A 13 27.113 13.050 -7.578
137 H1* A 13 H1* A 13 28.889 13.893 -5.545
138 H8 A 13 H8 A 13 28.535 16.473 -8.443
139 1H6 A 13 1H6 A 13 24.684 19.348 -4.592
140 2H6 A 13 2H6 A 13 25.278 19.298 -6.236
141 H2 A 13 H2 A 13 26.742 16.008 -2.386
142 1H5* C 14 1H5* C 14 32.760 10.149 -6.442
143 2H5* C 14 2H5* C 14 32.643 8.503 -5.802
144 H4* C 14 H4* C 14 33.410 10.270 -4.129
145 H3* C 14 H3* C 14 30.958 8.522 -3.665
146 1H2* C 14 1H2* C 14 30.658 9.504 -1.552
147 2HO* C 14 2HO* C 14 33.241 10.699 -1.834
148 H1* C 14 H1* C 14 31.285 12.112 -2.276
149 1H4 C 14 1H4 C 14 24.959 11.357 -4.017
150 2H4 C 14 2H4 C 14 24.895 11.407 -2.269
151 H5 C 14 H5 C 14 27.052 11.365 -5.273
152 H6 C 14 H6 C 14 29.493 11.166 -5.073
153 1H5* C 15 1H5* C 15 33.482 7.627 -0.241
154 2H5* C 15 2H5* C 15 33.711 5.872 -0.087
155 H4* C 15 H4* C 15 32.935 6.978 2.041
156 H3* C 15 H3* C 15 31.188 4.890 0.671
157 1H2* C 15 1H2* C 15 29.648 5.038 2.437
158 2HO* C 15 2HO* C 15 30.151 6.053 4.410
159 H1* C 15 H1* C 15 29.790 7.793 2.808
160 1H4 C 15 1H4 C 15 25.462 6.767 -2.115
161 2H4 C 15 2H4 C 15 24.565 6.338 -0.676
162 H5 C 15 H5 C 15 27.817 7.291 -2.097
163 H6 C 15 H6 C 15 29.813 7.528 -0.700
164 1H5* U 16 1H5* U 16 31.267 3.145 4.575
165 2H5* U 16 2H5* U 16 31.372 1.384 4.373
166 H4* U 16 H4* U 16 29.233 2.418 5.499
167 H3* U 16 H3* U 16 29.207 0.350 3.252
168 1H2* U 16 1H2* U 16 26.850 0.266 3.434
169 2HO* U 16 2HO* U 16 26.217 0.237 5.465
170 H1* U 16 H1* U 16 26.458 2.985 3.832
171 H3 U 16 H3 U 16 24.507 1.922 -0.173
172 H5 U 16 H5 U 16 28.627 2.171 -1.031
173 H6 U 16 H6 U 16 29.049 2.384 1.344
174 1H5* A 17 1H5* A 17 27.272 -0.780 7.302
175 2H5* A 17 2H5* A 17 27.706 -2.463 7.663
176 H4* A 17 H4* A 17 25.306 -1.809 8.227
177 H3* A 17 H3* A 17 25.951 -4.088 6.335
178 1H2* A 17 1H2* A 17 23.648 -4.543 6.147
179 2HO* A 17 2HO* A 17 23.157 -2.734 8.298
180 H1* A 17 H1* A 17 22.748 -1.930 6.077
181 H8 A 17 H8 A 17 25.686 -1.981 3.800
182 1H6 A 17 1H6 A 17 22.222 -4.709 -0.505
183 2H6 A 17 2H6 A 17 23.744 -3.906 -0.181
184 H2 A 17 H2 A 17 19.947 -4.807 3.372
185 1H5* U 18 1H5* U 18 23.591 -6.117 8.934
186 2H5* U 18 2H5* U 18 24.145 -7.781 9.204
187 H4* U 18 H4* U 18 21.953 -7.625 7.961
188 H3* U 18 H3* U 18 24.391 -8.873 6.611
189 1H2* U 18 1H2* U 18 23.041 -9.439 4.769
190 2HO* U 18 2HO* U 18 20.744 -8.707 6.304
191 H1* U 18 H1* U 18 21.544 -7.095 4.723
192 H3 U 18 H3 U 18 24.091 -7.400 0.882
193 H5 U 18 H5 U 18 26.630 -5.692 3.783
194 H6 U 18 H6 U 18 24.941 -6.158 5.457
195 1H5* G 19 1H5* G 19 22.497 -13.516 7.349
196 2H5* G 19 2H5* G 19 24.200 -14.044 7.369
197 H4* G 19 H4* G 19 22.505 -14.996 5.583
198 H3* G 19 H3* G 19 25.248 -13.841 4.863
199 1H2* G 19 1H2* G 19 24.858 -14.630 2.664
200 2HO* G 19 2HO* G 19 22.510 -15.969 3.581
201 H1* G 19 H1* G 19 22.184 -13.880 2.580
202 H8 G 19 H8 G 19 24.402 -11.191 4.116
203 H1 G 19 H1 G 19 24.548 -11.172 -2.261
204 1H2 G 19 1H2 G 19 22.768 -14.159 -2.015
205 2H2 G 19 2H2 G 19 23.498 -12.959 -3.059
206 1H5* C 20 1H5* C 20 25.440 -18.116 3.298
207 2H5* C 20 2H5* C 20 27.104 -18.628 3.647
208 H4* C 20 H4* C 20 26.417 -18.926 1.233
209 H3* C 20 H3* C 20 28.705 -16.997 1.880
210 1H2* C 20 1H2* C 20 29.080 -16.877 -0.459
211 2HO* C 20 2HO* C 20 28.081 -18.313 -1.915
212 H1* C 20 H1* C 20 26.390 -16.801 -1.167
213 1H4 C 20 1H4 C 20 28.324 -10.610 0.280
214 2H4 C 20 2H4 C 20 28.540 -10.788 -1.445
215 H5 C 20 H5 C 20 27.657 -12.429 1.722
216 H6 C 20 H6 C 20 27.059 -14.802 1.813
217 1H5* C 21 1H5* C 21 30.349 -20.208 -0.753
218 2H5* C 21 2H5* C 21 32.072 -20.435 -0.394
219 H4* C 21 H4* C 21 31.349 -19.772 -2.832
220 H3* C 21 H3* C 21 33.572 -18.410 -1.234
221 1H2* C 21 1H2* C 21 34.078 -17.135 -3.156
222 2HO* C 21 2HO* C 21 34.022 -18.726 -4.738
223 H1* C 21 H1* C 21 31.441 -16.702 -3.943
224 1H4 C 21 1H4 C 21 32.966 -12.050 0.549
225 2H4 C 21 2H4 C 21 33.336 -11.348 -1.009
226 H5 C 21 H5 C 21 32.277 -14.350 0.830
227 H6 C 21 H6 C 21 31.798 -16.457 -0.321
228 H3T C 21 H3T C 21 33.525 -20.296 -3.397
Start of MODEL 4
1 1H5* G 1 1H5* G 1 37.700 -9.275 -9.922
2 2H5* G 1 2H5* G 1 38.669 -9.286 -11.417
3 H4* G 1 H4* G 1 36.680 -9.758 -12.719
4 H3* G 1 H3* G 1 35.195 -9.007 -10.165
5 1H2* G 1 1H2* G 1 33.480 -10.512 -10.732
6 2HO* G 1 2HO* G 1 34.649 -10.755 -13.330
7 H1* G 1 H1* G 1 35.094 -12.527 -11.745
8 H8 G 1 H8 G 1 36.493 -11.112 -8.505
9 H1 G 1 H1 G 1 31.863 -15.394 -7.530
10 1H2 G 1 1H2 G 1 31.328 -15.149 -10.971
11 2H2 G 1 2H2 G 1 30.852 -15.878 -9.453
12 H5T G 1 H5T G 1 38.306 -7.173 -10.749
13 1H5* G 2 1H5* G 2 32.161 -8.422 -13.603
14 2H5* G 2 2H5* G 2 31.229 -6.980 -13.117
15 H4* G 2 H4* G 2 29.922 -9.129 -13.707
16 H3* G 2 H3* G 2 29.630 -7.738 -11.006
17 1H2* G 2 1H2* G 2 27.943 -9.280 -10.437
18 2HO* G 2 2HO* G 2 27.940 -10.183 -13.151
19 H1* G 2 H1* G 2 29.144 -11.521 -11.561
20 H8 G 2 H8 G 2 31.682 -9.471 -9.634
21 H1 G 2 H1 G 2 28.104 -13.123 -5.813
22 1H2 G 2 1H2 G 2 26.170 -13.677 -8.668
23 2H2 G 2 2H2 G 2 26.412 -13.998 -6.965
24 1H5* C 3 1H5* C 3 25.443 -7.181 -13.002
25 2H5* C 3 2H5* C 3 24.724 -5.756 -12.223
26 H4* C 3 H4* C 3 23.521 -8.084 -12.002
27 H3* C 3 H3* C 3 24.090 -6.173 -9.688
28 1H2* C 3 1H2* C 3 22.949 -7.657 -8.250
29 2HO* C 3 2HO* C 3 21.605 -9.296 -9.008
30 H1* C 3 H1* C 3 23.903 -10.018 -9.368
31 1H4 C 3 1H4 C 3 28.357 -7.858 -4.922
32 2H4 C 3 2H4 C 3 27.398 -9.071 -4.104
33 H5 C 3 H5 C 3 27.890 -7.097 -7.163
34 H6 C 3 H6 C 3 26.408 -7.331 -9.097
35 1H5* G 4 1H5* G 4 19.635 -7.024 -10.218
36 2H5* G 4 2H5* G 4 18.620 -5.733 -9.523
37 H4* G 4 H4* G 4 18.320 -8.247 -8.770
38 H3* G 4 H3* G 4 18.560 -5.863 -6.878
39 1H2* G 4 1H2* G 4 18.255 -7.326 -5.052
40 2HO* G 4 2HO* G 4 16.510 -8.526 -5.841
41 H1* G 4 H1* G 4 19.759 -9.434 -6.034
42 H8 G 4 H8 G 4 21.564 -6.134 -6.545
43 H1 G 4 H1 G 4 22.180 -8.390 -0.604
44 1H2 G 4 1H2 G 4 20.793 -10.097 -0.292
45 2H2 G 4 2H2 G 4 19.719 -10.676 -1.547
46 1H5* U 5 1H5* U 5 14.157 -7.313 -4.946
47 2H5* U 5 2H5* U 5 13.701 -5.598 -4.976
48 H4* U 5 H4* U 5 13.761 -6.867 -2.669
49 H3* U 5 H3* U 5 14.998 -4.138 -3.245
50 1H2* U 5 1H2* U 5 15.684 -3.981 -1.001
51 2HO* U 5 2HO* U 5 14.841 -5.258 0.632
52 H1* U 5 H1* U 5 16.426 -6.633 -0.656
53 H3 U 5 H3 U 5 20.180 -3.987 -0.308
54 H5 U 5 H5 U 5 19.621 -4.614 -4.441
55 H6 U 5 H6 U 5 17.461 -5.578 -3.936
56 1H5* A 6 1H5* A 6 12.300 -3.828 0.555
57 2H5* A 6 2H5* A 6 11.576 -2.211 0.426
58 H4* A 6 H4* A 6 12.768 -2.754 2.640
59 H3* A 6 H3* A 6 13.245 -0.340 0.909
60 1H2* A 6 1H2* A 6 15.201 0.251 1.891
61 2HO* A 6 2HO* A 6 14.098 -0.742 4.329
62 H1* A 6 H1* A 6 15.723 -2.176 3.408
63 H8 A 6 H8 A 6 16.135 -1.598 -0.390
64 1H6 A 6 1H6 A 6 22.147 -0.899 0.759
65 2H6 A 6 2H6 A 6 20.930 -1.009 -0.492
66 H2 A 6 H2 A 6 20.018 -1.322 4.695
67 1H5* A 7 1H5* A 7 12.950 3.894 3.781
68 2H5* A 7 2H5* A 7 14.003 3.040 2.633
69 H4* A 7 H4* A 7 14.443 3.135 5.658
70 H3* A 7 H3* A 7 15.616 4.754 3.355
71 1H2* A 7 1H2* A 7 17.705 4.762 4.431
72 2HO* A 7 2HO* A 7 16.408 3.744 6.766
73 H1* A 7 H1* A 7 17.639 2.153 5.365
74 H8 A 7 H8 A 7 16.410 2.543 1.765
75 1H6 A 7 1H6 A 7 22.275 2.005 -0.023
76 2H6 A 7 2H6 A 7 20.612 2.101 -0.559
77 H2 A 7 H2 A 7 22.222 2.264 4.463
78 1H5* G 8 1H5* G 8 16.370 7.900 6.919
79 2H5* G 8 2H5* G 8 16.515 9.380 5.933
80 H4* G 8 H4* G 8 18.528 8.535 7.426
81 H3* G 8 H3* G 8 18.803 9.287 4.470
82 1H2* G 8 1H2* G 8 21.141 9.046 4.752
83 2HO* G 8 2HO* G 8 22.119 8.924 6.763
84 H1* G 8 H1* G 8 20.996 6.758 6.320
85 H8 G 8 H8 G 8 18.602 6.672 3.351
86 H1 G 8 H1 G 8 24.568 5.048 1.769
87 1H2 G 8 1H2 G 8 25.381 6.096 4.999
88 2H2 G 8 2H2 G 8 25.940 5.436 3.479
89 1H5* G 9 1H5* G 9 21.694 12.293 6.188
90 2H5* G 9 2H5* G 9 21.659 13.639 5.019
91 H4* G 9 H4* G 9 23.874 12.258 5.428
92 H3* G 9 H3* G 9 22.726 12.828 2.654
93 1H2* G 9 1H2* G 9 24.732 11.897 1.782
94 2HO* G 9 2HO* G 9 25.789 11.716 4.421
95 H1* G 9 H1* G 9 24.840 9.771 3.558
96 H8 G 9 H8 G 9 21.262 10.017 2.518
97 H1 G 9 H1 G 9 24.858 7.664 -2.202
98 1H2 G 9 1H2 G 9 27.558 8.727 -0.256
99 2H2 G 9 2H2 G 9 27.016 7.957 -1.730
100 1H5* A 10 1H5* A 10 26.158 15.628 1.969
101 2H5* A 10 2H5* A 10 25.588 16.713 0.688
102 H4* A 10 H4* A 10 27.342 14.836 0.111
103 H3* A 10 H3* A 10 24.807 15.456 -1.477
104 1H2* A 10 1H2* A 10 25.381 13.768 -2.993
105 2HO* A 10 2HO* A 10 27.598 14.349 -3.227
106 H1* A 10 H1* A 10 26.364 11.926 -1.190
107 H8 A 10 H8 A 10 23.253 12.795 0.436
108 1H6 A 10 1H6 A 10 20.027 10.156 -4.108
109 2H6 A 10 2H6 A 10 19.952 10.769 -2.470
110 H2 A 10 H2 A 10 24.262 10.741 -5.517
111 1H5* U 11 1H5* U 11 26.352 14.303 -4.980
112 2H5* U 11 2H5* U 11 27.078 15.821 -5.525
113 H4* U 11 H4* U 11 25.980 14.835 -7.447
114 H3* U 11 H3* U 11 25.324 17.392 -6.686
115 1H2* U 11 1H2* U 11 23.396 16.868 -5.417
116 2HO* U 11 2HO* U 11 21.593 17.380 -6.774
117 H1* U 11 H1* U 11 22.467 14.946 -7.554
118 H3 U 11 H3 U 11 18.997 13.500 -5.113
119 H5 U 11 H5 U 11 21.730 14.717 -2.142
120 H6 U 11 H6 U 11 23.295 15.288 -3.902
121 1H5* U 12 1H5* U 12 27.349 15.520 -9.636
122 2H5* U 12 2H5* U 12 27.529 15.610 -11.395
123 H4* U 12 H4* U 12 26.409 13.498 -9.810
124 H3* U 12 H3* U 12 27.652 13.787 -12.203
125 1H2* U 12 1H2* U 12 25.920 14.597 -13.476
126 2HO* U 12 2HO* U 12 25.030 12.919 -14.682
127 H1* U 12 H1* U 12 23.837 12.846 -12.228
128 H3 U 12 H3 U 12 21.182 15.208 -15.085
129 H5 U 12 H5 U 12 22.816 18.132 -12.524
130 H6 U 12 H6 U 12 24.246 16.413 -11.580
131 1H5* A 13 1H5* A 13 29.332 8.610 -12.655
132 2H5* A 13 2H5* A 13 27.834 7.713 -12.959
133 H4* A 13 H4* A 13 29.054 8.353 -10.429
134 H3* A 13 H3* A 13 27.470 6.346 -11.403
135 1H2* A 13 1H2* A 13 25.453 7.565 -11.514
136 2HO* A 13 2HO* A 13 24.200 6.929 -9.739
137 H1* A 13 H1* A 13 26.033 8.848 -8.839
138 H8 A 13 H8 A 13 24.748 9.590 -12.447
139 1H6 A 13 1H6 A 13 20.987 13.569 -9.624
140 2H6 A 13 2H6 A 13 21.340 12.776 -11.143
141 H2 A 13 H2 A 13 23.961 11.987 -6.637
142 1H5* C 14 1H5* C 14 30.479 5.753 -8.740
143 2H5* C 14 2H5* C 14 30.865 4.610 -7.446
144 H4* C 14 H4* C 14 31.358 7.032 -6.886
145 H3* C 14 H3* C 14 29.415 5.367 -5.230
146 1H2* C 14 1H2* C 14 29.118 7.184 -3.767
147 2HO* C 14 2HO* C 14 31.269 7.798 -3.488
148 H1* C 14 H1* C 14 29.088 9.197 -5.679
149 1H4 C 14 1H4 C 14 22.924 6.822 -5.649
150 2H4 C 14 2H4 C 14 23.020 7.736 -4.160
151 H5 C 14 H5 C 14 24.835 6.472 -7.120
152 H6 C 14 H6 C 14 27.269 6.737 -7.322
153 1H5* C 15 1H5* C 15 32.942 5.732 -2.176
154 2H5* C 15 2H5* C 15 33.100 4.093 -1.508
155 H4* C 15 H4* C 15 32.678 5.938 0.211
156 H3* C 15 H3* C 15 30.803 3.553 -0.099
157 1H2* C 15 1H2* C 15 29.515 4.338 1.698
158 2HO* C 15 2HO* C 15 31.044 4.865 3.206
159 H1* C 15 H1* C 15 29.628 7.045 1.076
160 1H4 C 15 1H4 C 15 24.766 4.422 -2.607
161 2H4 C 15 2H4 C 15 24.066 4.520 -1.008
162 H5 C 15 H5 C 15 27.082 4.909 -3.068
163 H6 C 15 H6 C 15 29.221 5.601 -2.099
164 1H5* U 16 1H5* U 16 31.255 2.785 4.190
165 2H5* U 16 2H5* U 16 31.270 1.010 4.233
166 H4* U 16 H4* U 16 29.242 2.301 5.301
167 H3* U 16 H3* U 16 29.006 -0.060 3.378
168 1H2* U 16 1H2* U 16 26.662 0.006 3.661
169 2HO* U 16 2HO* U 16 27.041 1.860 5.803
170 H1* U 16 H1* U 16 26.408 2.771 3.675
171 H3 U 16 H3 U 16 24.259 1.192 -0.062
172 H5 U 16 H5 U 16 28.346 1.213 -1.099
173 H6 U 16 H6 U 16 28.867 1.731 1.208
174 1H5* A 17 1H5* A 17 27.112 -1.228 7.606
175 2H5* A 17 2H5* A 17 27.634 -2.915 7.804
176 H4* A 17 H4* A 17 25.188 -2.491 8.332
177 H3* A 17 H3* A 17 25.994 -4.449 6.158
178 1H2* A 17 1H2* A 17 23.707 -5.006 5.906
179 2HO* A 17 2HO* A 17 22.138 -4.413 7.416
180 H1* A 17 H1* A 17 22.699 -2.444 6.121
181 H8 A 17 H8 A 17 25.744 -2.205 3.955
182 1H6 A 17 1H6 A 17 22.421 -4.331 -0.770
183 2H6 A 17 2H6 A 17 23.939 -3.605 -0.292
184 H2 A 17 H2 A 17 19.983 -4.845 2.975
185 1H5* U 18 1H5* U 18 23.691 -6.995 8.245
186 2H5* U 18 2H5* U 18 24.371 -8.635 8.268
187 H4* U 18 H4* U 18 22.234 -8.429 6.936
188 H3* U 18 H3* U 18 24.828 -9.251 5.549
189 1H2* U 18 1H2* U 18 23.605 -9.605 3.570
190 2HO* U 18 2HO* U 18 21.378 -9.799 3.523
191 H1* U 18 H1* U 18 21.926 -7.403 3.819
192 H3 U 18 H3 U 18 24.639 -6.913 0.112
193 H5 U 18 H5 U 18 26.905 -5.480 3.370
194 H6 U 18 H6 U 18 25.197 -6.333 4.863
195 1H5* G 19 1H5* G 19 21.959 -13.139 5.144
196 2H5* G 19 2H5* G 19 23.187 -14.410 4.903
197 H4* G 19 H4* G 19 21.259 -14.043 3.138
198 H3* G 19 H3* G 19 24.226 -14.228 2.416
199 1H2* G 19 1H2* G 19 23.568 -14.211 0.144
200 2HO* G 19 2HO* G 19 21.828 -15.319 -0.309
201 H1* G 19 H1* G 19 21.592 -12.284 0.426
202 H8 G 19 H8 G 19 24.719 -11.308 2.338
203 H1 G 19 H1 G 19 25.211 -10.115 -3.911
204 1H2 G 19 1H2 G 19 22.261 -11.958 -4.185
205 2H2 G 19 2H2 G 19 23.510 -11.047 -5.000
206 1H5* C 20 1H5* C 20 22.068 -17.597 0.134
207 2H5* C 20 2H5* C 20 23.297 -18.838 -0.181
208 H4* C 20 H4* C 20 22.053 -17.755 -2.215
209 H3* C 20 H3* C 20 25.099 -17.990 -2.021
210 1H2* C 20 1H2* C 20 25.185 -17.206 -4.254
211 2HO* C 20 2HO* C 20 22.343 -17.418 -4.420
212 H1* C 20 H1* C 20 23.182 -15.292 -3.968
213 1H4 C 20 1H4 C 20 28.897 -12.587 -1.917
214 2H4 C 20 2H4 C 20 28.785 -12.212 -3.620
215 H5 C 20 H5 C 20 27.320 -14.011 -0.772
216 H6 C 20 H6 C 20 25.300 -15.373 -1.015
217 1H5* C 21 1H5* C 21 23.739 -20.153 -5.661
218 2H5* C 21 2H5* C 21 24.805 -21.533 -5.989
219 H4* C 21 H4* C 21 24.489 -19.693 -7.838
220 H3* C 21 H3* C 21 27.179 -20.805 -6.910
221 1H2* C 21 1H2* C 21 28.224 -19.513 -8.586
222 2HO* C 21 2HO* C 21 26.858 -19.941 -10.323
223 H1* C 21 H1* C 21 26.625 -17.252 -8.292
224 1H4 C 21 1H4 C 21 31.525 -16.860 -3.816
225 2H4 C 21 2H4 C 21 32.088 -15.984 -5.222
226 H5 C 21 H5 C 21 29.448 -18.097 -3.774
227 H6 C 21 H6 C 21 27.475 -18.754 -5.068
228 H3T C 21 H3T C 21 25.769 -22.243 -7.988
Start of MODEL 5
1 1H5* G 1 1H5* G 1 35.862 -18.308 -6.169
2 2H5* G 1 2H5* G 1 34.979 -16.885 -6.781
3 H4* G 1 H4* G 1 33.834 -19.115 -7.167
4 H3* G 1 H3* G 1 32.527 -17.018 -5.381
5 1H2* G 1 1H2* G 1 30.655 -18.417 -5.123
6 2HO* G 1 2HO* G 1 30.262 -20.192 -6.465
7 H1* G 1 H1* G 1 32.029 -20.819 -4.929
8 H8 G 1 H8 G 1 33.806 -18.273 -2.804
9 H1 G 1 H1 G 1 28.504 -20.442 0.016
10 1H2 G 1 1H2 G 1 27.791 -21.843 -3.102
11 2H2 G 1 2H2 G 1 27.291 -21.606 -1.443
12 H5T G 1 H5T G 1 34.609 -16.231 -4.787
13 1H5* G 2 1H5* G 2 29.470 -17.957 -8.654
14 2H5* G 2 2H5* G 2 28.570 -16.442 -8.930
15 H4* G 2 H4* G 2 27.256 -18.599 -8.291
16 H3* G 2 H3* G 2 27.000 -15.972 -6.757
17 1H2* G 2 1H2* G 2 25.312 -16.954 -5.439
18 2HO* G 2 2HO* G 2 24.097 -17.964 -7.046
19 H1* G 2 H1* G 2 26.503 -19.453 -5.188
20 H8 G 2 H8 G 2 29.084 -16.734 -4.686
21 H1 G 2 H1 G 2 25.486 -17.628 0.510
22 1H2 G 2 1H2 G 2 23.508 -19.608 -1.580
23 2H2 G 2 2H2 G 2 23.764 -18.954 0.022
24 1H5* C 3 1H5* C 3 22.739 -15.824 -9.009
25 2H5* C 3 2H5* C 3 22.481 -14.067 -9.037
26 H4* C 3 H4* C 3 20.786 -15.592 -7.728
27 H3* C 3 H3* C 3 22.066 -13.047 -6.625
28 1H2* C 3 1H2* C 3 20.767 -13.307 -4.673
29 2HO* C 3 2HO* C 3 19.288 -15.362 -5.999
30 H1* C 3 H1* C 3 20.985 -16.073 -4.483
31 1H4 C 3 1H4 C 3 26.303 -13.348 -1.558
32 2H4 C 3 2H4 C 3 25.166 -13.697 -0.277
33 H5 C 3 H5 C 3 25.795 -13.672 -3.898
34 H6 C 3 H6 C 3 24.093 -14.391 -5.501
35 1H5* G 4 1H5* G 4 17.578 -12.814 -6.646
36 2H5* G 4 2H5* G 4 16.973 -11.139 -6.721
37 H4* G 4 H4* G 4 16.255 -12.756 -4.757
38 H3* G 4 H3* G 4 17.277 -9.900 -4.390
39 1H2* G 4 1H2* G 4 16.891 -10.111 -2.072
40 2HO* G 4 2HO* G 4 14.847 -11.051 -2.097
41 H1* G 4 H1* G 4 17.762 -12.728 -1.820
42 H8 G 4 H8 G 4 20.168 -10.738 -3.967
43 H1 G 4 H1 G 4 21.010 -9.700 2.275
44 1H2 G 4 1H2 G 4 19.332 -10.589 3.427
45 2H2 G 4 2H2 G 4 18.008 -11.434 2.656
46 1H5* U 5 1H5* U 5 13.063 -9.215 -2.080
47 2H5* U 5 2H5* U 5 12.787 -7.660 -2.891
48 H4* U 5 H4* U 5 12.852 -7.637 -0.305
49 H3* U 5 H3* U 5 14.590 -5.844 -2.055
50 1H2* U 5 1H2* U 5 15.466 -4.819 -0.127
51 2HO* U 5 2HO* U 5 13.428 -6.129 1.391
52 H1* U 5 H1* U 5 15.648 -7.097 1.447
53 H3 U 5 H3 U 5 19.914 -5.577 0.681
54 H5 U 5 H5 U 5 18.910 -7.854 -2.722
55 H6 U 5 H6 U 5 16.631 -7.927 -1.919
56 1H5* A 6 1H5* A 6 11.874 -3.735 0.918
57 2H5* A 6 2H5* A 6 11.498 -2.060 0.466
58 H4* A 6 H4* A 6 12.564 -2.600 2.834
59 H3* A 6 H3* A 6 12.935 -0.330 0.961
60 1H2* A 6 1H2* A 6 15.102 0.091 1.427
61 2HO* A 6 2HO* A 6 15.663 0.306 3.758
62 H1* A 6 H1* A 6 15.500 -1.958 3.530
63 H8 A 6 H8 A 6 16.101 -2.331 -0.239
64 1H6 A 6 1H6 A 6 22.053 -1.220 0.904
65 2H6 A 6 2H6 A 6 20.889 -1.676 -0.320
66 H2 A 6 H2 A 6 19.767 -0.641 4.731
67 1H5* A 7 1H5* A 7 12.939 4.042 4.069
68 2H5* A 7 2H5* A 7 13.824 3.355 2.688
69 H4* A 7 H4* A 7 14.733 3.325 5.610
70 H3* A 7 H3* A 7 15.579 4.907 3.143
71 1H2* A 7 1H2* A 7 17.812 4.849 3.880
72 2HO* A 7 2HO* A 7 16.854 3.896 6.399
73 H1* A 7 H1* A 7 17.813 2.246 4.850
74 H8 A 7 H8 A 7 16.081 2.596 1.466
75 1H6 A 7 1H6 A 7 21.617 1.887 -1.144
76 2H6 A 7 2H6 A 7 19.896 1.996 -1.435
77 H2 A 7 H2 A 7 22.224 2.295 3.291
78 1H5* G 8 1H5* G 8 16.582 7.240 7.231
79 2H5* G 8 2H5* G 8 16.953 8.926 6.783
80 H4* G 8 H4* G 8 18.680 7.480 8.165
81 H3* G 8 H3* G 8 19.337 9.137 5.692
82 1H2* G 8 1H2* G 8 21.599 8.531 5.897
83 2HO* G 8 2HO* G 8 21.006 7.453 8.476
84 H1* G 8 H1* G 8 21.202 5.888 6.634
85 H8 G 8 H8 G 8 18.923 7.027 3.788
86 H1 G 8 H1 G 8 24.714 5.261 1.775
87 1H2 G 8 1H2 G 8 25.527 5.182 5.173
88 2H2 G 8 2H2 G 8 26.063 4.955 3.524
89 1H5* G 9 1H5* G 9 22.283 10.773 8.497
90 2H5* G 9 2H5* G 9 22.590 12.469 8.036
91 H4* G 9 H4* G 9 24.499 10.653 7.862
92 H3* G 9 H3* G 9 23.761 12.606 5.641
93 1H2* G 9 1H2* G 9 25.564 11.744 4.380
94 2HO* G 9 2HO* G 9 27.191 10.485 5.283
95 H1* G 9 H1* G 9 25.207 9.076 5.058
96 H8 G 9 H8 G 9 21.782 10.268 4.275
97 H1 G 9 H1 G 9 25.275 9.756 -1.038
98 1H2 G 9 1H2 G 9 27.996 9.571 1.139
99 2H2 G 9 2H2 G 9 27.431 9.583 -0.517
100 1H5* A 10 1H5* A 10 27.785 14.207 6.148
101 2H5* A 10 2H5* A 10 27.757 15.883 5.569
102 H4* A 10 H4* A 10 28.877 14.015 4.083
103 H3* A 10 H3* A 10 26.901 16.135 3.125
104 1H2* A 10 1H2* A 10 27.050 15.273 0.960
105 2HO* A 10 2HO* A 10 28.715 13.932 0.269
106 H1* A 10 H1* A 10 27.160 12.591 1.584
107 H8 A 10 H8 A 10 24.337 13.431 3.599
108 1H6 A 10 1H6 A 10 20.960 14.853 -1.361
109 2H6 A 10 2H6 A 10 20.904 14.474 0.346
110 H2 A 10 H2 A 10 25.295 14.710 -2.580
111 1H5* U 11 1H5* U 11 28.698 16.266 -0.564
112 2H5* U 11 2H5* U 11 29.990 17.411 -0.165
113 H4* U 11 H4* U 11 29.147 17.921 -2.416
114 H3* U 11 H3* U 11 29.355 19.832 -0.447
115 1H2* U 11 1H2* U 11 27.139 19.828 0.271
116 2HO* U 11 2HO* U 11 26.164 21.676 -0.599
117 H1* U 11 H1* U 11 26.108 19.699 -2.567
118 H3 U 11 H3 U 11 21.886 19.417 -1.046
119 H5 U 11 H5 U 11 24.016 17.089 1.751
120 H6 U 11 H6 U 11 26.058 17.643 0.564
121 1H5* U 12 1H5* U 12 30.150 20.049 -6.087
122 2H5* U 12 2H5* U 12 28.878 20.384 -4.900
123 H4* U 12 H4* U 12 29.156 17.513 -5.192
124 H3* U 12 H3* U 12 29.869 18.669 -7.543
125 1H2* U 12 1H2* U 12 28.051 20.057 -7.880
126 2HO* U 12 2HO* U 12 26.680 19.110 -9.385
127 H1* U 12 H1* U 12 25.995 18.097 -6.960
128 H3 U 12 H3 U 12 23.351 21.737 -7.794
129 H5 U 12 H5 U 12 25.929 22.985 -4.697
130 H6 U 12 H6 U 12 27.166 20.915 -4.976
131 1H5* A 13 1H5* A 13 30.312 14.060 -10.597
132 2H5* A 13 2H5* A 13 28.596 13.731 -10.853
133 H4* A 13 H4* A 13 30.362 12.702 -8.840
134 H3* A 13 H3* A 13 28.143 11.783 -10.126
135 1H2* A 13 1H2* A 13 26.552 13.222 -9.054
136 2HO* A 13 2HO* A 13 25.493 11.947 -7.481
137 H1* A 13 H1* A 13 27.923 12.723 -6.405
138 H8 A 13 H8 A 13 26.039 15.352 -8.559
139 1H6 A 13 1H6 A 13 24.778 17.992 -3.153
140 2H6 A 13 2H6 A 13 24.378 17.954 -4.854
141 H2 A 13 H2 A 13 27.854 14.764 -2.480
142 1H5* C 14 1H5* C 14 31.162 9.602 -7.707
143 2H5* C 14 2H5* C 14 31.200 8.091 -6.787
144 H4* C 14 H4* C 14 31.872 10.265 -5.544
145 H3* C 14 H3* C 14 29.795 8.276 -4.541
146 1H2* C 14 1H2* C 14 29.543 9.553 -2.576
147 2HO* C 14 2HO* C 14 31.691 9.976 -2.080
148 H1* C 14 H1* C 14 29.597 12.054 -3.759
149 1H4 C 14 1H4 C 14 23.434 9.801 -4.630
150 2H4 C 14 2H4 C 14 23.500 10.191 -2.925
151 H5 C 14 H5 C 14 25.384 9.889 -6.086
152 H6 C 14 H6 C 14 27.805 10.343 -6.187
153 1H5* C 15 1H5* C 15 33.007 7.542 -1.387
154 2H5* C 15 2H5* C 15 33.183 5.775 -1.313
155 H4* C 15 H4* C 15 32.580 6.899 0.897
156 H3* C 15 H3* C 15 30.802 4.763 -0.359
157 1H2* C 15 1H2* C 15 29.381 4.871 1.503
158 2HO* C 15 2HO* C 15 29.980 5.821 3.452
159 H1* C 15 H1* C 15 29.476 7.625 1.882
160 1H4 C 15 1H4 C 15 24.827 6.502 -2.713
161 2H4 C 15 2H4 C 15 24.066 5.990 -1.223
162 H5 C 15 H5 C 15 27.149 7.141 -2.858
163 H6 C 15 H6 C 15 29.235 7.440 -1.607
164 1H5* U 16 1H5* U 16 31.157 3.209 3.555
165 2H5* U 16 2H5* U 16 31.304 1.442 3.494
166 H4* U 16 H4* U 16 29.214 2.516 4.680
167 H3* U 16 H3* U 16 29.113 0.248 2.639
168 1H2* U 16 1H2* U 16 26.773 0.119 2.959
169 2HO* U 16 2HO* U 16 25.732 1.099 4.707
170 H1* U 16 H1* U 16 26.309 2.848 3.141
171 H3 U 16 H3 U 16 24.180 1.401 -0.643
172 H5 U 16 H5 U 16 28.243 1.624 -1.740
173 H6 U 16 H6 U 16 28.785 2.072 0.577
174 1H5* A 17 1H5* A 17 27.609 -0.497 6.923
175 2H5* A 17 2H5* A 17 27.918 -2.167 7.440
176 H4* A 17 H4* A 17 25.604 -1.190 8.013
177 H3* A 17 H3* A 17 25.994 -3.793 6.509
178 1H2* A 17 1H2* A 17 23.654 -4.087 6.472
179 2HO* A 17 2HO* A 17 22.378 -3.341 8.000
180 H1* A 17 H1* A 17 22.946 -1.458 5.992
181 H8 A 17 H8 A 17 25.785 -2.115 3.680
182 1H6 A 17 1H6 A 17 21.982 -5.233 -0.022
183 2H6 A 17 2H6 A 17 23.569 -4.513 0.133
184 H2 A 17 H2 A 17 19.834 -4.499 3.862
185 1H5* U 18 1H5* U 18 23.634 -5.045 9.599
186 2H5* U 18 2H5* U 18 24.057 -6.657 10.211
187 H4* U 18 H4* U 18 21.790 -6.530 9.081
188 H3* U 18 H3* U 18 23.990 -8.344 7.998
189 1H2* U 18 1H2* U 18 22.506 -9.155 6.367
190 2HO* U 18 2HO* U 18 20.691 -9.515 7.657
191 H1* U 18 H1* U 18 21.245 -6.744 5.798
192 H3 U 18 H3 U 18 23.600 -8.312 2.122
193 H5 U 18 H5 U 18 26.353 -6.056 4.387
194 H6 U 18 H6 U 18 24.709 -5.934 6.164
195 1H5* G 19 1H5* G 19 20.383 -11.123 9.585
196 2H5* G 19 2H5* G 19 21.216 -12.617 10.090
197 H4* G 19 H4* G 19 19.161 -12.816 8.519
198 H3* G 19 H3* G 19 21.890 -13.991 7.830
199 1H2* G 19 1H2* G 19 20.965 -14.929 5.882
200 2HO* G 19 2HO* G 19 18.373 -14.242 6.871
201 H1* G 19 H1* G 19 19.348 -12.781 5.200
202 H8 G 19 H8 G 19 22.749 -11.523 6.248
203 H1 G 19 H1 G 19 22.794 -13.878 0.321
204 1H2 G 19 1H2 G 19 19.605 -15.068 1.093
205 2H2 G 19 2H2 G 19 20.883 -14.941 -0.095
206 1H5* C 20 1H5* C 20 19.088 -17.543 7.571
207 2H5* C 20 2H5* C 20 20.051 -18.945 8.080
208 H4* C 20 H4* C 20 19.004 -19.045 5.724
209 H3* C 20 H3* C 20 22.010 -19.398 6.173
210 1H2* C 20 1H2* C 20 22.178 -19.962 3.880
211 2HO* C 20 2HO* C 20 19.326 -20.014 3.722
212 H1* C 20 H1* C 20 20.378 -18.045 2.968
213 1H4 C 20 1H4 C 20 26.332 -15.148 3.549
214 2H4 C 20 2H4 C 20 26.253 -15.738 1.905
215 H5 C 20 H5 C 20 24.626 -15.596 5.196
216 H6 C 20 H6 C 20 22.481 -16.698 5.617
217 1H5* C 21 1H5* C 21 20.318 -23.115 4.274
218 2H5* C 21 2H5* C 21 21.285 -24.528 4.744
219 H4* C 21 H4* C 21 20.995 -23.969 2.193
220 H3* C 21 H3* C 21 23.655 -24.595 3.561
221 1H2* C 21 1H2* C 21 24.696 -24.504 1.445
222 2HO* C 21 2HO* C 21 23.237 -25.701 0.225
223 H1* C 21 H1* C 21 23.250 -22.333 0.470
224 1H4 C 21 1H4 C 21 28.363 -19.959 3.992
225 2H4 C 21 2H4 C 21 28.905 -20.005 2.329
226 H5 C 21 H5 C 21 26.232 -20.833 4.710
227 H6 C 21 H6 C 21 24.169 -21.937 3.991
228 H3T C 21 H3T C 21 22.155 -26.295 3.461
Start of MODEL 6
1 1H5* G 1 1H5* G 1 36.388 -7.934 -7.117
2 2H5* G 1 2H5* G 1 37.404 -8.001 -8.580
3 H4* G 1 H4* G 1 35.827 -9.464 -9.649
4 H3* G 1 H3* G 1 33.901 -8.512 -7.487
5 1H2* G 1 1H2* G 1 32.782 -10.579 -7.587
6 2HO* G 1 2HO* G 1 33.032 -12.023 -9.294
7 H1* G 1 H1* G 1 35.021 -12.186 -7.887
8 H8 G 1 H8 G 1 35.451 -9.459 -5.245
9 H1 G 1 H1 G 1 32.471 -14.648 -3.017
10 1H2 G 1 1H2 G 1 32.384 -15.655 -6.360
11 2H2 G 1 2H2 G 1 31.977 -16.021 -4.698
12 H5T G 1 H5T G 1 35.807 -6.796 -9.655
13 1H5* G 2 1H5* G 2 31.452 -9.926 -11.165
14 2H5* G 2 2H5* G 2 29.917 -9.018 -11.126
15 H4* G 2 H4* G 2 29.853 -11.624 -11.176
16 H3* G 2 H3* G 2 28.409 -9.936 -9.085
17 1H2* G 2 1H2* G 2 27.489 -11.896 -8.164
18 2HO* G 2 2HO* G 2 28.433 -13.330 -10.452
19 H1* G 2 H1* G 2 29.746 -13.497 -8.428
20 H8 G 2 H8 G 2 30.540 -10.005 -7.116
21 H1 G 2 H1 G 2 28.598 -13.993 -2.526
22 1H2 G 2 1H2 G 2 27.814 -16.150 -5.159
23 2H2 G 2 2H2 G 2 27.840 -15.881 -3.431
24 1H5* C 3 1H5* C 3 24.274 -11.177 -11.454
25 2H5* C 3 2H5* C 3 23.451 -9.660 -11.039
26 H4* C 3 H4* C 3 22.434 -11.938 -10.211
27 H3* C 3 H3* C 3 22.883 -9.482 -8.450
28 1H2* C 3 1H2* C 3 21.835 -10.639 -6.680
29 2HO* C 3 2HO* C 3 21.040 -12.652 -8.547
30 H1* C 3 H1* C 3 22.962 -13.127 -7.203
31 1H4 C 3 1H4 C 3 27.234 -9.626 -3.494
32 2H4 C 3 2H4 C 3 26.362 -10.663 -2.388
33 H5 C 3 H5 C 3 26.720 -9.476 -5.849
34 H6 C 3 H6 C 3 25.264 -10.288 -7.640
35 1H5* G 4 1H5* G 4 18.368 -10.464 -8.523
36 2H5* G 4 2H5* G 4 17.466 -8.971 -8.150
37 H4* G 4 H4* G 4 17.145 -11.148 -6.691
38 H3* G 4 H3* G 4 17.662 -8.355 -5.566
39 1H2* G 4 1H2* G 4 17.417 -9.245 -3.394
40 2HO* G 4 2HO* G 4 16.479 -11.684 -4.547
41 H1* G 4 H1* G 4 18.747 -11.631 -3.861
42 H8 G 4 H8 G 4 20.660 -8.721 -5.359
43 H1 G 4 H1 G 4 21.581 -9.299 0.930
44 1H2 G 4 1H2 G 4 20.143 -10.766 1.776
45 2H2 G 4 2H2 G 4 18.961 -11.597 0.789
46 1H5* U 5 1H5* U 5 13.348 -8.713 -3.086
47 2H5* U 5 2H5* U 5 13.034 -7.046 -3.612
48 H4* U 5 H4* U 5 13.186 -7.565 -1.038
49 H3* U 5 H3* U 5 14.606 -5.284 -2.480
50 1H2* U 5 1H2* U 5 15.472 -4.539 -0.422
51 2HO* U 5 2HO* U 5 14.653 -5.200 1.561
52 H1* U 5 H1* U 5 16.002 -7.038 0.668
53 H3 U 5 H3 U 5 19.998 -4.849 0.057
54 H5 U 5 H5 U 5 19.073 -6.559 -3.686
55 H6 U 5 H6 U 5 16.875 -7.090 -2.828
56 1H5* A 6 1H5* A 6 12.061 -3.880 1.073
57 2H5* A 6 2H5* A 6 11.476 -2.236 0.751
58 H4* A 6 H4* A 6 12.749 -2.684 2.987
59 H3* A 6 H3* A 6 13.046 -0.410 1.066
60 1H2* A 6 1H2* A 6 15.154 0.148 1.658
61 2HO* A 6 2HO* A 6 14.272 -0.299 4.334
62 H1* A 6 H1* A 6 15.666 -2.034 3.569
63 H8 A 6 H8 A 6 16.113 -2.066 -0.258
64 1H6 A 6 1H6 A 6 22.114 -1.125 0.782
65 2H6 A 6 2H6 A 6 20.904 -1.448 -0.440
66 H2 A 6 H2 A 6 19.968 -0.911 4.724
67 1H5* A 7 1H5* A 7 12.981 3.998 3.970
68 2H5* A 7 2H5* A 7 13.906 3.189 2.686
69 H4* A 7 H4* A 7 14.695 3.280 5.639
70 H3* A 7 H3* A 7 15.607 4.849 3.190
71 1H2* A 7 1H2* A 7 17.807 4.852 4.023
72 2HO* A 7 2HO* A 7 18.302 4.343 6.167
73 H1* A 7 H1* A 7 17.821 2.262 5.021
74 H8 A 7 H8 A 7 16.231 2.559 1.559
75 1H6 A 7 1H6 A 7 21.883 1.901 -0.803
76 2H6 A 7 2H6 A 7 20.175 1.992 -1.170
77 H2 A 7 H2 A 7 22.291 2.326 3.651
78 1H5* G 8 1H5* G 8 16.434 7.421 7.121
79 2H5* G 8 2H5* G 8 16.766 9.089 6.583
80 H4* G 8 H4* G 8 18.548 7.741 7.992
81 H3* G 8 H3* G 8 19.131 9.274 5.418
82 1H2* G 8 1H2* G 8 21.405 8.710 5.630
83 2HO* G 8 2HO* G 8 20.852 7.786 8.278
84 H1* G 8 H1* G 8 21.054 6.114 6.534
85 H8 G 8 H8 G 8 18.758 7.016 3.623
86 H1 G 8 H1 G 8 24.601 5.271 1.733
87 1H2 G 8 1H2 G 8 25.395 5.394 5.134
88 2H2 G 8 2H2 G 8 25.943 5.082 3.503
89 1H5* G 9 1H5* G 9 22.067 10.856 8.292
90 2H5* G 9 2H5* G 9 22.508 12.523 7.838
91 H4* G 9 H4* G 9 24.312 10.587 7.815
92 H3* G 9 H3* G 9 23.852 12.537 5.512
93 1H2* G 9 1H2* G 9 25.741 11.568 4.447
94 2HO* G 9 2HO* G 9 27.154 11.386 6.185
95 H1* G 9 H1* G 9 25.104 8.944 5.039
96 H8 G 9 H8 G 9 21.844 10.431 4.066
97 H1 G 9 H1 G 9 25.630 9.800 -1.033
98 1H2 G 9 1H2 G 9 28.161 9.236 1.308
99 2H2 G 9 2H2 G 9 27.717 9.370 -0.379
100 1H5* A 10 1H5* A 10 27.836 14.260 6.363
101 2H5* A 10 2H5* A 10 27.764 15.919 5.741
102 H4* A 10 H4* A 10 29.093 14.085 4.395
103 H3* A 10 H3* A 10 27.085 16.064 3.224
104 1H2* A 10 1H2* A 10 27.465 15.160 1.102
105 2HO* A 10 2HO* A 10 29.250 13.888 0.597
106 H1* A 10 H1* A 10 27.671 12.505 1.815
107 H8 A 10 H8 A 10 24.641 13.323 3.569
108 1H6 A 10 1H6 A 10 21.640 14.192 -1.745
109 2H6 A 10 2H6 A 10 21.454 13.931 -0.024
110 H2 A 10 H2 A 10 26.062 14.213 -2.584
111 1H5* U 11 1H5* U 11 28.872 16.264 -0.343
112 2H5* U 11 2H5* U 11 30.058 17.536 -0.018
113 H4* U 11 H4* U 11 29.133 17.986 -2.211
114 H3* U 11 H3* U 11 29.017 19.930 -0.271
115 1H2* U 11 1H2* U 11 26.816 19.510 0.479
116 2HO* U 11 2HO* U 11 26.438 21.286 -1.737
117 H1* U 11 H1* U 11 25.845 19.233 -2.369
118 H3 U 11 H3 U 11 21.728 17.982 -1.111
119 H5 U 11 H5 U 11 24.090 16.634 2.110
120 H6 U 11 H6 U 11 26.045 17.477 0.951
121 1H5* U 12 1H5* U 12 31.037 19.034 -3.762
122 2H5* U 12 2H5* U 12 31.519 19.872 -5.247
123 H4* U 12 H4* U 12 29.588 17.772 -4.918
124 H3* U 12 H3* U 12 31.244 18.695 -6.864
125 1H2* U 12 1H2* U 12 30.054 20.546 -7.557
126 2HO* U 12 2HO* U 12 30.025 19.501 -9.470
127 H1* U 12 H1* U 12 27.376 19.234 -7.337
128 H3 U 12 H3 U 12 25.989 23.373 -8.629
129 H5 U 12 H5 U 12 28.021 24.053 -4.997
130 H6 U 12 H6 U 12 28.717 21.730 -5.026
131 1H5* A 13 1H5* A 13 32.024 13.692 -9.035
132 2H5* A 13 2H5* A 13 30.503 14.346 -9.668
133 H4* A 13 H4* A 13 31.032 12.820 -7.135
134 H3* A 13 H3* A 13 29.590 12.215 -9.386
135 1H2* A 13 1H2* A 13 27.991 13.967 -9.239
136 2HO* A 13 2HO* A 13 26.760 12.059 -9.228
137 H1* A 13 H1* A 13 27.751 13.480 -6.264
138 H8 A 13 H8 A 13 27.598 16.081 -9.110
139 1H6 A 13 1H6 A 13 24.358 19.471 -5.120
140 2H6 A 13 2H6 A 13 24.836 19.306 -6.795
141 H2 A 13 H2 A 13 26.188 16.007 -2.912
142 1H5* C 14 1H5* C 14 31.769 10.014 -7.269
143 2H5* C 14 2H5* C 14 31.882 8.344 -6.696
144 H4* C 14 H4* C 14 32.560 10.018 -4.957
145 H3* C 14 H3* C 14 30.137 8.230 -4.494
146 1H2* C 14 1H2* C 14 29.866 9.159 -2.351
147 2HO* C 14 2HO* C 14 32.009 9.081 -1.644
148 H1* C 14 H1* C 14 30.483 11.787 -3.008
149 1H4 C 14 1H4 C 14 24.098 11.086 -4.557
150 2H4 C 14 2H4 C 14 24.099 11.232 -2.813
151 H5 C 14 H5 C 14 26.147 10.994 -5.887
152 H6 C 14 H6 C 14 28.588 10.748 -5.762
153 1H5* C 15 1H5* C 15 33.170 6.955 -1.470
154 2H5* C 15 2H5* C 15 33.273 5.189 -1.322
155 H4* C 15 H4* C 15 32.810 6.424 0.860
156 H3* C 15 H3* C 15 30.884 4.332 -0.243
157 1H2* C 15 1H2* C 15 29.529 4.587 1.656
158 2HO* C 15 2HO* C 15 30.233 5.501 3.555
159 H1* C 15 H1* C 15 29.767 7.346 1.918
160 1H4 C 15 1H4 C 15 24.966 6.306 -2.540
161 2H4 C 15 2H4 C 15 24.205 5.901 -1.017
162 H5 C 15 H5 C 15 27.317 6.798 -2.750
163 H6 C 15 H6 C 15 29.438 7.026 -1.550
164 1H5* U 16 1H5* U 16 31.329 2.816 3.715
165 2H5* U 16 2H5* U 16 31.360 1.042 3.642
166 H4* U 16 H4* U 16 29.379 2.238 4.892
167 H3* U 16 H3* U 16 29.086 -0.004 2.845
168 1H2* U 16 1H2* U 16 26.752 0.015 3.197
169 2HO* U 16 2HO* U 16 26.281 0.152 5.270
170 H1* U 16 H1* U 16 26.457 2.767 3.415
171 H3 U 16 H3 U 16 24.194 1.425 -0.344
172 H5 U 16 H5 U 16 28.237 1.604 -1.527
173 H6 U 16 H6 U 16 28.838 1.959 0.793
174 1H5* A 17 1H5* A 17 27.387 -0.798 7.108
175 2H5* A 17 2H5* A 17 27.781 -2.479 7.523
176 H4* A 17 H4* A 17 25.424 -1.713 8.147
177 H3* A 17 H3* A 17 25.933 -4.103 6.353
178 1H2* A 17 1H2* A 17 23.605 -4.505 6.281
179 2HO* A 17 2HO* A 17 22.154 -3.379 7.681
180 H1* A 17 H1* A 17 22.792 -1.886 6.030
181 H8 A 17 H8 A 17 25.756 -2.197 3.792
182 1H6 A 17 1H6 A 17 22.210 -4.982 -0.402
183 2H6 A 17 2H6 A 17 23.766 -4.241 -0.100
184 H2 A 17 H2 A 17 19.886 -4.749 3.444
185 1H5* U 18 1H5* U 18 23.630 -5.962 9.099
186 2H5* U 18 2H5* U 18 24.170 -7.622 9.426
187 H4* U 18 H4* U 18 21.948 -7.467 8.219
188 H3* U 18 H3* U 18 24.332 -8.860 6.923
189 1H2* U 18 1H2* U 18 22.963 -9.474 5.114
190 2HO* U 18 2HO* U 18 20.696 -8.619 6.629
191 H1* U 18 H1* U 18 21.522 -7.103 4.948
192 H3 U 18 H3 U 18 24.052 -7.704 1.126
193 H5 U 18 H5 U 18 26.621 -5.846 3.908
194 H6 U 18 H6 U 18 24.930 -6.183 5.612
195 1H5* G 19 1H5* G 19 21.543 -13.046 7.700
196 2H5* G 19 2H5* G 19 23.040 -14.013 7.767
197 H4* G 19 H4* G 19 21.127 -14.594 6.040
198 H3* G 19 H3* G 19 24.078 -14.289 5.295
199 1H2* G 19 1H2* G 19 23.511 -15.043 3.126
200 2HO* G 19 2HO* G 19 21.523 -16.003 2.655
201 H1* G 19 H1* G 19 21.141 -13.606 2.935
202 H8 G 19 H8 G 19 23.915 -11.496 4.435
203 H1 G 19 H1 G 19 24.314 -11.876 -1.920
204 1H2 G 19 1H2 G 19 21.847 -14.326 -1.628
205 2H2 G 19 2H2 G 19 22.889 -13.402 -2.687
206 1H5* C 20 1H5* C 20 23.179 -18.480 3.870
207 2H5* C 20 2H5* C 20 24.599 -19.417 4.377
208 H4* C 20 H4* C 20 24.073 -19.646 1.927
209 H3* C 20 H3* C 20 26.718 -18.323 2.719
210 1H2* C 20 1H2* C 20 27.296 -18.400 0.421
211 2HO* C 20 2HO* C 20 26.139 -19.628 -1.079
212 H1* C 20 H1* C 20 24.777 -17.691 -0.528
213 1H4 C 20 1H4 C 20 28.036 -12.097 0.976
214 2H4 C 20 2H4 C 20 28.377 -12.403 -0.710
215 H5 C 20 H5 C 20 26.803 -13.631 2.374
216 H6 C 20 H6 C 20 25.637 -15.782 2.451
217 1H5* C 21 1H5* C 21 27.506 -22.105 0.349
218 2H5* C 21 2H5* C 21 29.098 -22.761 0.780
219 H4* C 21 H4* C 21 28.595 -22.170 -1.731
220 H3* C 21 H3* C 21 31.103 -21.323 -0.202
221 1H2* C 21 1H2* C 21 31.944 -20.419 -2.215
222 2HO* C 21 2HO* C 21 31.003 -20.883 -4.235
223 H1* C 21 H1* C 21 29.530 -19.362 -3.118
224 1H4 C 21 1H4 C 21 32.304 -14.922 0.978
225 2H4 C 21 2H4 C 21 32.781 -14.452 -0.637
226 H5 C 21 H5 C 21 31.066 -16.938 1.455
227 H6 C 21 H6 C 21 30.023 -18.930 0.489
228 H3T C 21 H3T C 21 31.934 -23.104 -1.339
Start of MODEL 7
1 1H5* G 1 1H5* G 1 38.200 -1.169 -8.859
2 2H5* G 1 2H5* G 1 36.633 -0.332 -8.699
3 H4* G 1 H4* G 1 36.702 -2.143 -10.467
4 H3* G 1 H3* G 1 34.872 -2.458 -8.049
5 1H2* G 1 1H2* G 1 34.039 -4.463 -8.955
6 2HO* G 1 2HO* G 1 34.331 -5.046 -11.111
7 H1* G 1 H1* G 1 36.438 -5.432 -9.952
8 H8 G 1 H8 G 1 36.747 -3.968 -6.438
9 H1 G 1 H1 G 1 34.699 -10.017 -6.447
10 1H2 G 1 1H2 G 1 34.433 -9.595 -9.905
11 2H2 G 1 2H2 G 1 34.237 -10.658 -8.530
12 H5T G 1 H5T G 1 37.570 -0.878 -6.679
13 1H5* G 2 1H5* G 2 32.344 -2.635 -11.922
14 2H5* G 2 2H5* G 2 30.706 -2.070 -11.501
15 H4* G 2 H4* G 2 31.042 -4.426 -12.610
16 H3* G 2 H3* G 2 29.429 -3.925 -10.070
17 1H2* G 2 1H2* G 2 28.829 -6.198 -10.026
18 2HO* G 2 2HO* G 2 29.912 -6.460 -12.660
19 H1* G 2 H1* G 2 31.290 -7.217 -10.821
20 H8 G 2 H8 G 2 31.793 -4.506 -8.235
21 H1 G 2 H1 G 2 30.027 -10.045 -5.601
22 1H2 G 2 1H2 G 2 29.382 -11.046 -8.884
23 2H2 G 2 2H2 G 2 29.380 -11.468 -7.186
24 1H5* C 3 1H5* C 3 25.504 -4.680 -12.937
25 2H5* C 3 2H5* C 3 24.449 -3.585 -12.020
26 H4* C 3 H4* C 3 23.798 -6.123 -12.218
27 H3* C 3 H3* C 3 23.851 -4.542 -9.604
28 1H2* C 3 1H2* C 3 22.958 -6.446 -8.527
29 2HO* C 3 2HO* C 3 21.356 -7.058 -9.955
30 H1* C 3 H1* C 3 24.474 -8.328 -9.906
31 1H4 C 3 1H4 C 3 28.088 -6.062 -4.798
32 2H4 C 3 2H4 C 3 27.315 -7.525 -4.230
33 H5 C 3 H5 C 3 27.649 -5.093 -6.967
34 H6 C 3 H6 C 3 26.372 -5.315 -9.042
35 1H5* G 4 1H5* G 4 19.476 -5.826 -10.411
36 2H5* G 4 2H5* G 4 18.392 -4.702 -9.549
37 H4* G 4 H4* G 4 18.286 -7.300 -9.095
38 H3* G 4 H3* G 4 18.432 -5.150 -6.931
39 1H2* G 4 1H2* G 4 18.244 -6.846 -5.300
40 2HO* G 4 2HO* G 4 17.563 -8.937 -5.790
41 H1* G 4 H1* G 4 19.855 -8.713 -6.567
42 H8 G 4 H8 G 4 21.485 -5.298 -6.685
43 H1 G 4 H1 G 4 22.271 -8.206 -1.056
44 1H2 G 4 1H2 G 4 20.971 -10.002 -0.941
45 2H2 G 4 2H2 G 4 19.911 -10.478 -2.249
46 1H5* U 5 1H5* U 5 14.111 -6.794 -5.094
47 2H5* U 5 2H5* U 5 13.647 -5.084 -4.972
48 H4* U 5 H4* U 5 13.787 -6.526 -2.779
49 H3* U 5 H3* U 5 15.007 -3.758 -3.177
50 1H2* U 5 1H2* U 5 15.765 -3.785 -0.948
51 2HO* U 5 2HO* U 5 14.974 -5.210 0.596
52 H1* U 5 H1* U 5 16.502 -6.453 -0.843
53 H3 U 5 H3 U 5 20.346 -4.031 -0.369
54 H5 U 5 H5 U 5 19.589 -4.064 -4.515
55 H6 U 5 H6 U 5 17.418 -5.022 -4.046
56 1H5* A 6 1H5* A 6 12.793 -3.697 0.892
57 2H5* A 6 2H5* A 6 11.819 -2.224 0.716
58 H4* A 6 H4* A 6 13.024 -2.165 2.854
59 H3* A 6 H3* A 6 13.943 -0.262 0.676
60 1H2* A 6 1H2* A 6 15.632 0.575 2.014
61 2HO* A 6 2HO* A 6 13.953 0.705 3.847
62 H1* A 6 H1* A 6 16.200 -1.741 3.511
63 H8 A 6 H8 A 6 16.095 -1.383 -0.340
64 1H6 A 6 1H6 A 6 22.228 -1.047 -0.142
65 2H6 A 6 2H6 A 6 20.825 -1.093 -1.184
66 H2 A 6 H2 A 6 20.716 -1.291 4.088
67 1H5* A 7 1H5* A 7 12.480 2.801 4.444
68 2H5* A 7 2H5* A 7 12.892 4.301 3.584
69 H4* A 7 H4* A 7 14.185 3.458 5.831
70 H3* A 7 H3* A 7 15.337 4.944 3.417
71 1H2* A 7 1H2* A 7 17.402 4.998 4.575
72 2HO* A 7 2HO* A 7 17.577 4.501 6.772
73 H1* A 7 H1* A 7 17.243 2.409 5.573
74 H8 A 7 H8 A 7 16.277 3.047 1.885
75 1H6 A 7 1H6 A 7 22.142 1.749 0.523
76 2H6 A 7 2H6 A 7 20.565 2.119 -0.136
77 H2 A 7 H2 A 7 21.731 1.766 4.999
78 1H5* G 8 1H5* G 8 16.373 8.070 6.821
79 2H5* G 8 2H5* G 8 16.592 9.534 5.826
80 H4* G 8 H4* G 8 18.589 8.547 7.250
81 H3* G 8 H3* G 8 18.818 9.266 4.283
82 1H2* G 8 1H2* G 8 21.146 8.875 4.499
83 2HO* G 8 2HO* G 8 22.156 8.649 6.501
84 H1* G 8 H1* G 8 20.886 6.599 6.072
85 H8 G 8 H8 G 8 18.405 6.683 3.177
86 H1 G 8 H1 G 8 24.205 4.705 1.399
87 1H2 G 8 1H2 G 8 25.178 5.663 4.613
88 2H2 G 8 2H2 G 8 25.650 4.987 3.071
89 1H5* G 9 1H5* G 9 21.926 12.189 5.956
90 2H5* G 9 2H5* G 9 21.905 13.511 4.763
91 H4* G 9 H4* G 9 24.103 12.121 5.198
92 H3* G 9 H3* G 9 22.961 12.625 2.411
93 1H2* G 9 1H2* G 9 24.987 11.686 1.581
94 2HO* G 9 2HO* G 9 26.489 12.628 2.965
95 H1* G 9 H1* G 9 25.052 9.584 3.381
96 H8 G 9 H8 G 9 21.480 9.877 2.329
97 H1 G 9 H1 G 9 25.041 7.397 -2.353
98 1H2 G 9 1H2 G 9 27.757 8.417 -0.407
99 2H2 G 9 2H2 G 9 27.202 7.643 -1.874
100 1H5* A 10 1H5* A 10 26.399 15.451 1.868
101 2H5* A 10 2H5* A 10 25.927 16.517 0.533
102 H4* A 10 H4* A 10 27.722 14.640 0.113
103 H3* A 10 H3* A 10 25.307 15.215 -1.667
104 1H2* A 10 1H2* A 10 26.031 13.525 -3.112
105 2HO* A 10 2HO* A 10 28.218 14.050 -3.267
106 H1* A 10 H1* A 10 26.888 11.718 -1.219
107 H8 A 10 H8 A 10 23.660 12.452 0.163
108 1H6 A 10 1H6 A 10 20.824 9.954 -4.710
109 2H6 A 10 2H6 A 10 20.622 10.492 -3.057
110 H2 A 10 H2 A 10 25.132 10.685 -5.805
111 1H5* U 11 1H5* U 11 26.717 13.893 -4.999
112 2H5* U 11 2H5* U 11 27.653 15.303 -5.514
113 H4* U 11 H4* U 11 26.566 14.494 -7.488
114 H3* U 11 H3* U 11 26.049 17.075 -6.698
115 1H2* U 11 1H2* U 11 24.025 16.672 -5.550
116 2HO* U 11 2HO* U 11 23.554 18.193 -7.205
117 H1* U 11 H1* U 11 23.090 14.833 -7.768
118 H3 U 11 H3 U 11 19.422 13.555 -5.531
119 H5 U 11 H5 U 11 22.114 14.423 -2.405
120 H6 U 11 H6 U 11 23.779 14.986 -4.074
121 1H5* U 12 1H5* U 12 27.717 14.296 -9.336
122 2H5* U 12 2H5* U 12 28.177 14.478 -11.029
123 H4* U 12 H4* U 12 26.663 12.379 -9.816
124 H3* U 12 H3* U 12 28.291 12.697 -11.971
125 1H2* U 12 1H2* U 12 26.843 13.797 -13.384
126 2HO* U 12 2HO* U 12 27.112 12.139 -14.723
127 H1* U 12 H1* U 12 24.426 12.204 -12.651
128 H3 U 12 H3 U 12 22.551 15.134 -15.612
129 H5 U 12 H5 U 12 24.011 17.578 -12.500
130 H6 U 12 H6 U 12 25.080 15.619 -11.547
131 1H5* A 13 1H5* A 13 29.297 7.355 -12.876
132 2H5* A 13 2H5* A 13 27.682 6.691 -13.180
133 H4* A 13 H4* A 13 28.980 7.148 -10.648
134 H3* A 13 H3* A 13 27.117 5.391 -11.617
135 1H2* A 13 1H2* A 13 25.296 6.891 -11.722
136 2HO* A 13 2HO* A 13 23.975 6.452 -9.929
137 H1* A 13 H1* A 13 26.064 8.069 -9.050
138 H8 A 13 H8 A 13 24.834 8.960 -12.641
139 1H6 A 13 1H6 A 13 21.697 13.433 -9.798
140 2H6 A 13 2H6 A 13 21.899 12.574 -11.308
141 H2 A 13 H2 A 13 24.535 11.534 -6.863
142 1H5* C 14 1H5* C 14 30.007 4.274 -9.042
143 2H5* C 14 2H5* C 14 30.227 3.125 -7.714
144 H4* C 14 H4* C 14 31.165 5.446 -7.279
145 H3* C 14 H3* C 14 29.044 4.197 -5.482
146 1H2* C 14 1H2* C 14 29.137 6.079 -4.074
147 2HO* C 14 2HO* C 14 31.482 6.910 -5.483
148 H1* C 14 H1* C 14 29.370 8.009 -6.060
149 1H4 C 14 1H4 C 14 22.889 6.794 -5.716
150 2H4 C 14 2H4 C 14 23.206 7.733 -4.274
151 H5 C 14 H5 C 14 24.643 6.032 -7.216
152 H6 C 14 H6 C 14 27.071 5.843 -7.514
153 1H5* C 15 1H5* C 15 32.511 4.208 -2.600
154 2H5* C 15 2H5* C 15 32.554 2.608 -1.831
155 H4* C 15 H4* C 15 32.298 4.530 -0.202
156 H3* C 15 H3* C 15 30.138 2.391 -0.441
157 1H2* C 15 1H2* C 15 28.954 3.404 1.318
158 2HO* C 15 2HO* C 15 29.881 4.916 2.706
159 H1* C 15 H1* C 15 29.426 6.048 0.584
160 1H4 C 15 1H4 C 15 24.243 3.922 -2.986
161 2H4 C 15 2H4 C 15 23.564 4.270 -1.413
162 H5 C 15 H5 C 15 26.608 3.997 -3.448
163 H6 C 15 H6 C 15 28.827 4.430 -2.508
164 1H5* U 16 1H5* U 16 30.824 2.266 3.816
165 2H5* U 16 2H5* U 16 30.908 0.558 4.293
166 H4* U 16 H4* U 16 29.085 2.070 5.401
167 H3* U 16 H3* U 16 28.450 -0.611 4.067
168 1H2* U 16 1H2* U 16 26.265 -0.397 4.964
169 2HO* U 16 2HO* U 16 26.740 0.327 7.044
170 H1* U 16 H1* U 16 26.020 2.317 4.398
171 H3 U 16 H3 U 16 23.076 -0.300 1.903
172 H5 U 16 H5 U 16 26.642 -0.055 -0.339
173 H6 U 16 H6 U 16 27.714 0.956 1.583
174 1H5* A 17 1H5* A 17 27.224 -2.125 8.285
175 2H5* A 17 2H5* A 17 27.737 -3.813 8.075
176 H4* A 17 H4* A 17 25.215 -3.354 8.484
177 H3* A 17 H3* A 17 26.204 -5.010 6.129
178 1H2* A 17 1H2* A 17 23.920 -5.534 5.741
179 2HO* A 17 2HO* A 17 23.202 -4.232 8.171
180 H1* A 17 H1* A 17 22.952 -2.981 6.237
181 H8 A 17 H8 A 17 26.052 -2.683 4.123
182 1H6 A 17 1H6 A 17 22.612 -4.013 -0.814
183 2H6 A 17 2H6 A 17 24.172 -3.442 -0.262
184 H2 A 17 H2 A 17 20.138 -4.808 2.856
185 1H5* U 18 1H5* U 18 23.855 -7.852 7.885
186 2H5* U 18 2H5* U 18 24.511 -9.484 7.639
187 H4* U 18 H4* U 18 22.342 -9.011 6.401
188 H3* U 18 H3* U 18 24.882 -9.720 4.854
189 1H2* U 18 1H2* U 18 23.594 -9.776 2.883
190 2HO* U 18 2HO* U 18 21.230 -9.562 4.470
191 H1* U 18 H1* U 18 22.021 -7.560 3.473
192 H3 U 18 H3 U 18 24.701 -6.737 -0.212
193 H5 U 18 H5 U 18 27.066 -5.796 3.153
194 H6 U 18 H6 U 18 25.338 -6.745 4.565
195 1H5* G 19 1H5* G 19 22.754 -14.246 3.795
196 2H5* G 19 2H5* G 19 24.423 -14.858 3.672
197 H4* G 19 H4* G 19 22.754 -15.055 1.635
198 H3* G 19 H3* G 19 25.584 -13.911 1.400
199 1H2* G 19 1H2* G 19 25.247 -13.898 -0.946
200 2HO* G 19 2HO* G 19 22.786 -15.296 -0.589
201 H1* G 19 H1* G 19 22.627 -12.983 -0.837
202 H8 G 19 H8 G 19 24.965 -11.157 1.566
203 H1 G 19 H1 G 19 25.304 -8.921 -4.397
204 1H2 G 19 1H2 G 19 23.316 -11.665 -5.222
205 2H2 G 19 2H2 G 19 24.160 -10.236 -5.776
206 1H5* C 20 1H5* C 20 25.623 -17.469 -1.534
207 2H5* C 20 2H5* C 20 27.290 -18.069 -1.410
208 H4* C 20 H4* C 20 26.480 -17.454 -3.766
209 H3* C 20 H3* C 20 28.957 -16.115 -2.566
210 1H2* C 20 1H2* C 20 29.323 -15.182 -4.717
211 2HO* C 20 2HO* C 20 28.239 -15.905 -6.553
212 H1* C 20 H1* C 20 26.648 -14.607 -5.229
213 1H4 C 20 1H4 C 20 29.167 -9.565 -1.710
214 2H4 C 20 2H4 C 20 29.402 -9.132 -3.388
215 H5 C 20 H5 C 20 28.301 -11.706 -1.007
216 H6 C 20 H6 C 20 27.476 -13.882 -1.762
217 1H5* C 21 1H5* C 21 30.055 -18.432 -6.281
218 2H5* C 21 2H5* C 21 31.746 -18.963 -6.189
219 H4* C 21 H4* C 21 30.974 -17.499 -8.230
220 H3* C 21 H3* C 21 33.470 -16.987 -6.544
221 1H2* C 21 1H2* C 21 34.036 -15.228 -8.010
222 2HO* C 21 2HO* C 21 33.657 -16.218 -9.992
223 H1* C 21 H1* C 21 31.449 -14.255 -8.358
224 1H4 C 21 1H4 C 21 33.919 -11.533 -2.820
225 2H4 C 21 2H4 C 21 34.240 -10.386 -4.100
226 H5 C 21 H5 C 21 32.964 -13.714 -3.208
227 H6 C 21 H6 C 21 32.113 -15.260 -4.901
228 H3T C 21 H3T C 21 33.008 -18.053 -9.168
Start of MODEL 8
1 1H5* G 1 1H5* G 1 39.436 -5.118 -7.899
2 2H5* G 1 2H5* G 1 38.163 -3.875 -7.771
3 H4* G 1 H4* G 1 37.928 -5.415 -9.758
4 H3* G 1 H3* G 1 35.813 -5.467 -7.564
5 1H2* G 1 1H2* G 1 34.574 -7.039 -8.799
6 2HO* G 1 2HO* G 1 34.967 -7.453 -10.989
7 H1* G 1 H1* G 1 36.713 -8.541 -9.724
8 H8 G 1 H8 G 1 37.342 -7.854 -6.095
9 H1 G 1 H1 G 1 32.879 -12.348 -6.885
10 1H2 G 1 1H2 G 1 32.899 -11.352 -10.231
11 2H2 G 1 2H2 G 1 32.230 -12.415 -9.012
12 H5T G 1 H5T G 1 38.656 -4.903 -5.770
13 1H5* G 2 1H5* G 2 33.549 -4.550 -11.399
14 2H5* G 2 2H5* G 2 32.170 -3.514 -10.945
15 H4* G 2 H4* G 2 31.729 -5.786 -12.161
16 H3* G 2 H3* G 2 30.391 -4.964 -9.548
17 1H2* G 2 1H2* G 2 29.126 -6.947 -9.588
18 2HO* G 2 2HO* G 2 28.469 -6.936 -11.744
19 H1* G 2 H1* G 2 31.134 -8.627 -10.518
20 H8 G 2 H8 G 2 32.560 -6.384 -7.846
21 H1 G 2 H1 G 2 29.112 -11.142 -5.361
22 1H2 G 2 1H2 G 2 28.063 -11.694 -8.644
23 2H2 G 2 2H2 G 2 27.969 -12.177 -6.964
24 1H5* C 3 1H5* C 3 26.521 -4.685 -12.433
25 2H5* C 3 2H5* C 3 25.589 -3.476 -11.527
26 H4* C 3 H4* C 3 24.569 -5.871 -11.884
27 H3* C 3 H3* C 3 24.685 -4.378 -9.225
28 1H2* C 3 1H2* C 3 23.533 -6.161 -8.207
29 2HO* C 3 2HO* C 3 22.997 -7.201 -10.815
30 H1* C 3 H1* C 3 24.798 -8.228 -9.568
31 1H4 C 3 1H4 C 3 28.567 -6.581 -4.340
32 2H4 C 3 2H4 C 3 27.638 -7.980 -3.851
33 H5 C 3 H5 C 3 28.261 -5.468 -6.457
34 H6 C 3 H6 C 3 27.013 -5.462 -8.560
35 1H5* G 4 1H5* G 4 20.284 -5.241 -10.365
36 2H5* G 4 2H5* G 4 19.220 -4.073 -9.539
37 H4* G 4 H4* G 4 18.879 -6.672 -9.224
38 H3* G 4 H3* G 4 18.991 -4.624 -6.963
39 1H2* G 4 1H2* G 4 18.578 -6.354 -5.416
40 2HO* G 4 2HO* G 4 17.955 -8.071 -7.616
41 H1* G 4 H1* G 4 20.141 -8.293 -6.628
42 H8 G 4 H8 G 4 21.991 -4.988 -6.500
43 H1 G 4 H1 G 4 22.217 -8.161 -0.967
44 1H2 G 4 1H2 G 4 20.799 -9.872 -1.016
45 2H2 G 4 2H2 G 4 19.804 -10.227 -2.411
46 1H5* U 5 1H5* U 5 14.502 -6.216 -5.488
47 2H5* U 5 2H5* U 5 14.066 -4.501 -5.340
48 H4* U 5 H4* U 5 14.002 -6.009 -3.193
49 H3* U 5 H3* U 5 15.333 -3.273 -3.406
50 1H2* U 5 1H2* U 5 15.929 -3.394 -1.134
51 2HO* U 5 2HO* U 5 14.174 -5.637 -0.897
52 H1* U 5 H1* U 5 16.567 -6.085 -1.056
53 H3 U 5 H3 U 5 20.456 -3.824 -0.234
54 H5 U 5 H5 U 5 19.988 -3.702 -4.425
55 H6 U 5 H6 U 5 17.758 -4.590 -4.137
56 1H5* A 6 1H5* A 6 12.771 -3.502 0.328
57 2H5* A 6 2H5* A 6 11.806 -2.013 0.323
58 H4* A 6 H4* A 6 12.851 -2.378 2.535
59 H3* A 6 H3* A 6 13.653 -0.034 0.824
60 1H2* A 6 1H2* A 6 15.417 0.592 2.150
61 2HO* A 6 2HO* A 6 15.491 0.063 4.407
62 H1* A 6 H1* A 6 16.093 -1.881 3.340
63 H8 A 6 H8 A 6 15.887 -1.039 -0.431
64 1H6 A 6 1H6 A 6 22.017 -0.649 -0.344
65 2H6 A 6 2H6 A 6 20.586 -0.582 -1.347
66 H2 A 6 H2 A 6 20.620 -1.425 3.863
67 1H5* A 7 1H5* A 7 12.901 4.234 3.809
68 2H5* A 7 2H5* A 7 14.064 3.501 2.680
69 H4* A 7 H4* A 7 14.225 3.393 5.731
70 H3* A 7 H3* A 7 15.701 5.022 3.617
71 1H2* A 7 1H2* A 7 17.672 4.861 4.898
72 2HO* A 7 2HO* A 7 16.772 5.343 6.935
73 H1* A 7 H1* A 7 17.352 2.226 5.702
74 H8 A 7 H8 A 7 16.560 2.965 2.014
75 1H6 A 7 1H6 A 7 22.490 1.777 0.853
76 2H6 A 7 2H6 A 7 20.931 2.129 0.141
77 H2 A 7 H2 A 7 21.927 1.772 5.307
78 1H5* G 8 1H5* G 8 16.472 8.259 6.832
79 2H5* G 8 2H5* G 8 16.633 9.663 5.744
80 H4* G 8 H4* G 8 18.711 8.744 7.098
81 H3* G 8 H3* G 8 18.753 9.307 4.089
82 1H2* G 8 1H2* G 8 21.089 8.899 4.169
83 2HO* G 8 2HO* G 8 22.229 8.755 6.101
84 H1* G 8 H1* G 8 20.917 6.688 5.825
85 H8 G 8 H8 G 8 18.159 6.537 3.242
86 H1 G 8 H1 G 8 23.826 4.893 0.824
87 1H2 G 8 1H2 G 8 25.116 6.083 3.841
88 2H2 G 8 2H2 G 8 25.442 5.365 2.280
89 1H5* G 9 1H5* G 9 22.140 12.081 5.364
90 2H5* G 9 2H5* G 9 22.078 13.365 4.133
91 H4* G 9 H4* G 9 24.228 11.864 4.413
92 H3* G 9 H3* G 9 22.846 12.378 1.741
93 1H2* G 9 1H2* G 9 24.676 11.263 0.714
94 2HO* G 9 2HO* G 9 26.558 10.740 1.848
95 H1* G 9 H1* G 9 24.813 9.199 2.562
96 H8 G 9 H8 G 9 21.168 9.831 1.900
97 H1 G 9 H1 G 9 23.879 6.618 -2.901
98 1H2 G 9 1H2 G 9 26.897 7.440 -1.342
99 2H2 G 9 2H2 G 9 26.097 6.642 -2.678
100 1H5* A 10 1H5* A 10 26.396 15.054 0.625
101 2H5* A 10 2H5* A 10 25.684 16.046 -0.657
102 H4* A 10 H4* A 10 27.434 14.185 -1.287
103 H3* A 10 H3* A 10 24.734 14.588 -2.668
104 1H2* A 10 1H2* A 10 25.350 12.896 -4.167
105 2HO* A 10 2HO* A 10 27.497 13.541 -4.577
106 H1* A 10 H1* A 10 26.497 11.199 -2.335
107 H8 A 10 H8 A 10 23.448 11.995 -0.574
108 1H6 A 10 1H6 A 10 20.062 9.154 -4.868
109 2H6 A 10 2H6 A 10 20.061 9.809 -3.245
110 H2 A 10 H2 A 10 24.187 9.819 -6.542
111 1H5* U 11 1H5* U 11 24.590 13.933 -5.464
112 2H5* U 11 2H5* U 11 26.099 13.416 -6.232
113 H4* U 11 H4* U 11 25.247 13.624 -8.366
114 H3* U 11 H3* U 11 24.564 16.202 -7.699
115 1H2* U 11 1H2* U 11 22.607 15.710 -6.488
116 2HO* U 11 2HO* U 11 21.619 15.814 -9.172
117 H1* U 11 H1* U 11 21.717 13.712 -8.579
118 H3 U 11 H3 U 11 18.150 12.564 -6.102
119 H5 U 11 H5 U 11 21.048 13.413 -3.161
120 H6 U 11 H6 U 11 22.612 13.939 -4.937
121 1H5* U 12 1H5* U 12 26.277 13.418 -10.353
122 2H5* U 12 2H5* U 12 26.621 13.444 -12.085
123 H4* U 12 H4* U 12 25.119 11.510 -10.596
124 H3* U 12 H3* U 12 26.612 11.591 -12.872
125 1H2* U 12 1H2* U 12 25.111 12.630 -14.277
126 2HO* U 12 2HO* U 12 24.113 9.964 -14.414
127 H1* U 12 H1* U 12 22.698 11.187 -13.260
128 H3 U 12 H3 U 12 20.727 13.919 -16.344
129 H5 U 12 H5 U 12 22.438 16.561 -13.538
130 H6 U 12 H6 U 12 23.512 14.654 -12.489
131 1H5* A 13 1H5* A 13 27.436 6.186 -13.291
132 2H5* A 13 2H5* A 13 25.824 5.532 -13.635
133 H4* A 13 H4* A 13 27.040 6.033 -11.069
134 H3* A 13 H3* A 13 25.202 4.255 -12.046
135 1H2* A 13 1H2* A 13 23.388 5.778 -12.268
136 2HO* A 13 2HO* A 13 22.617 4.170 -10.862
137 H1* A 13 H1* A 13 24.083 7.005 -9.601
138 H8 A 13 H8 A 13 23.080 7.912 -13.258
139 1H6 A 13 1H6 A 13 19.843 12.415 -10.555
140 2H6 A 13 2H6 A 13 20.156 11.603 -12.073
141 H2 A 13 H2 A 13 22.351 10.321 -7.452
142 1H5* C 14 1H5* C 14 28.276 3.794 -9.975
143 2H5* C 14 2H5* C 14 28.948 2.685 -8.777
144 H4* C 14 H4* C 14 29.638 5.026 -8.331
145 H3* C 14 H3* C 14 27.801 3.633 -6.341
146 1H2* C 14 1H2* C 14 27.874 5.536 -4.959
147 2HO* C 14 2HO* C 14 29.974 6.578 -6.592
148 H1* C 14 H1* C 14 27.753 7.453 -6.966
149 1H4 C 14 1H4 C 14 21.459 5.748 -6.046
150 2H4 C 14 2H4 C 14 21.831 6.727 -4.645
151 H5 C 14 H5 C 14 23.131 5.113 -7.709
152 H6 C 14 H6 C 14 25.538 5.081 -8.195
153 1H5* C 15 1H5* C 15 31.802 3.586 -3.737
154 2H5* C 15 2H5* C 15 31.725 1.939 -3.073
155 H4* C 15 H4* C 15 31.819 3.866 -1.359
156 H3* C 15 H3* C 15 29.621 1.752 -1.387
157 1H2* C 15 1H2* C 15 28.669 2.717 0.527
158 2HO* C 15 2HO* C 15 29.777 4.215 1.821
159 H1* C 15 H1* C 15 29.074 5.381 -0.161
160 1H4 C 15 1H4 C 15 23.475 3.478 -3.173
161 2H4 C 15 2H4 C 15 23.002 3.662 -1.499
162 H5 C 15 H5 C 15 25.763 3.632 -3.923
163 H6 C 15 H6 C 15 28.082 4.016 -3.234
164 1H5* U 16 1H5* U 16 31.068 1.554 2.753
165 2H5* U 16 2H5* U 16 30.979 -0.129 3.312
166 H4* U 16 H4* U 16 29.549 1.714 4.540
167 H3* U 16 H3* U 16 28.462 -0.982 3.586
168 1H2* U 16 1H2* U 16 26.419 -0.441 4.673
169 2HO* U 16 2HO* U 16 26.242 1.337 6.076
170 H1* U 16 H1* U 16 26.344 2.195 3.835
171 H3 U 16 H3 U 16 22.997 -0.331 1.831
172 H5 U 16 H5 U 16 26.399 -0.765 -0.624
173 H6 U 16 H6 U 16 27.703 0.345 1.086
174 1H5* A 17 1H5* A 17 27.586 -2.248 8.117
175 2H5* A 17 2H5* A 17 28.017 -3.941 7.797
176 H4* A 17 H4* A 17 25.562 -3.373 8.521
177 H3* A 17 H3* A 17 26.287 -5.126 6.144
178 1H2* A 17 1H2* A 17 23.966 -5.568 5.897
179 2HO* A 17 2HO* A 17 23.057 -5.877 7.809
180 H1* A 17 H1* A 17 23.106 -2.984 6.335
181 H8 A 17 H8 A 17 26.191 -2.821 4.178
182 1H6 A 17 1H6 A 17 22.692 -4.193 -0.693
183 2H6 A 17 2H6 A 17 24.274 -3.670 -0.162
184 H2 A 17 H2 A 17 20.201 -4.778 3.004
185 1H5* U 18 1H5* U 18 23.866 -7.923 8.029
186 2H5* U 18 2H5* U 18 24.512 -9.545 7.707
187 H4* U 18 H4* U 18 22.271 -8.964 6.584
188 H3* U 18 H3* U 18 24.718 -9.893 5.017
189 1H2* U 18 1H2* U 18 23.442 -9.868 3.044
190 2HO* U 18 2HO* U 18 21.580 -10.903 3.795
191 H1* U 18 H1* U 18 22.004 -7.550 3.579
192 H3 U 18 H3 U 18 24.811 -7.025 -0.091
193 H5 U 18 H5 U 18 27.104 -5.999 3.296
194 H6 U 18 H6 U 18 25.314 -6.839 4.696
195 1H5* G 19 1H5* G 19 21.700 -13.686 4.057
196 2H5* G 19 2H5* G 19 23.018 -14.846 3.744
197 H4* G 19 H4* G 19 21.194 -14.338 1.901
198 H3* G 19 H3* G 19 24.210 -14.307 1.405
199 1H2* G 19 1H2* G 19 23.759 -13.959 -0.884
200 2HO* G 19 2HO* G 19 20.988 -14.428 -0.391
201 H1* G 19 H1* G 19 21.665 -12.178 -0.528
202 H8 G 19 H8 G 19 24.593 -11.461 1.797
203 H1 G 19 H1 G 19 25.490 -9.131 -4.073
204 1H2 G 19 1H2 G 19 22.643 -10.962 -4.912
205 2H2 G 19 2H2 G 19 23.914 -9.886 -5.446
206 1H5* C 20 1H5* C 20 22.670 -17.268 -1.724
207 2H5* C 20 2H5* C 20 24.058 -18.327 -2.040
208 H4* C 20 H4* C 20 23.080 -16.887 -4.006
209 H3* C 20 H3* C 20 26.055 -17.003 -3.294
210 1H2* C 20 1H2* C 20 26.454 -15.747 -5.261
211 2HO* C 20 2HO* C 20 23.713 -16.067 -5.994
212 H1* C 20 H1* C 20 24.270 -14.045 -4.963
213 1H4 C 20 1H4 C 20 29.305 -11.601 -1.373
214 2H4 C 20 2H4 C 20 29.453 -10.866 -2.953
215 H5 C 20 H5 C 20 27.679 -13.310 -0.859
216 H6 C 20 H6 C 20 25.851 -14.673 -1.749
217 1H5* C 21 1H5* C 21 25.477 -18.423 -7.539
218 2H5* C 21 2H5* C 21 26.764 -19.574 -7.950
219 H4* C 21 H4* C 21 26.456 -17.419 -9.423
220 H3* C 21 H3* C 21 29.117 -18.409 -8.293
221 1H2* C 21 1H2* C 21 30.201 -16.677 -9.470
222 2HO* C 21 2HO* C 21 27.749 -16.133 -10.835
223 H1* C 21 H1* C 21 28.273 -14.719 -9.010
224 1H4 C 21 1H4 C 21 32.358 -14.813 -3.766
225 2H4 C 21 2H4 C 21 32.972 -13.568 -4.831
226 H5 C 21 H5 C 21 30.518 -16.264 -4.352
227 H6 C 21 H6 C 21 28.876 -16.825 -6.076
228 H3T C 21 H3T C 21 27.884 -18.447 -10.883
Start of MODEL 9
1 1H5* G 1 1H5* G 1 37.629 -6.012 -10.837
2 2H5* G 1 2H5* G 1 37.543 -7.240 -9.546
3 H4* G 1 H4* G 1 36.953 -7.638 -12.537
4 H3* G 1 H3* G 1 35.176 -7.253 -10.090
5 1H2* G 1 1H2* G 1 33.613 -8.761 -10.990
6 2HO* G 1 2HO* G 1 33.371 -8.211 -13.080
7 H1* G 1 H1* G 1 35.426 -10.581 -12.031
8 H8 G 1 H8 G 1 36.513 -9.524 -8.565
9 H1 G 1 H1 G 1 31.854 -13.884 -8.415
10 1H2 G 1 1H2 G 1 31.581 -13.266 -11.840
11 2H2 G 1 2H2 G 1 30.998 -14.157 -10.452
12 H5T G 1 H5T G 1 39.206 -8.357 -10.568
13 1H5* G 2 1H5* G 2 32.397 -6.276 -13.732
14 2H5* G 2 2H5* G 2 31.434 -4.910 -13.113
15 H4* G 2 H4* G 2 30.165 -6.933 -14.091
16 H3* G 2 H3* G 2 29.702 -5.940 -11.244
17 1H2* G 2 1H2* G 2 27.991 -7.536 -10.990
18 2HO* G 2 2HO* G 2 27.066 -8.623 -12.743
19 H1* G 2 H1* G 2 29.250 -9.610 -12.346
20 H8 G 2 H8 G 2 31.687 -7.864 -10.032
21 H1 G 2 H1 G 2 27.923 -11.974 -6.922
22 1H2 G 2 1H2 G 2 26.119 -12.110 -9.909
23 2H2 G 2 2H2 G 2 26.280 -12.664 -8.258
24 1H5* C 3 1H5* C 3 25.610 -5.135 -13.291
25 2H5* C 3 2H5* C 3 24.858 -3.841 -12.335
26 H4* C 3 H4* C 3 23.689 -6.193 -12.455
27 H3* C 3 H3* C 3 24.203 -4.625 -9.883
28 1H2* C 3 1H2* C 3 23.035 -6.306 -8.705
29 2HO* C 3 2HO* C 3 22.214 -7.426 -11.201
30 H1* C 3 H1* C 3 24.045 -8.470 -10.131
31 1H4 C 3 1H4 C 3 28.344 -6.942 -5.288
32 2H4 C 3 2H4 C 3 27.393 -8.284 -4.696
33 H5 C 3 H5 C 3 27.918 -5.851 -7.399
34 H6 C 3 H6 C 3 26.491 -5.812 -9.385
35 1H5* G 4 1H5* G 4 19.795 -5.421 -10.550
36 2H5* G 4 2H5* G 4 18.758 -4.244 -9.703
37 H4* G 4 H4* G 4 18.494 -6.838 -9.278
38 H3* G 4 H3* G 4 18.694 -4.713 -7.095
39 1H2* G 4 1H2* G 4 18.396 -6.406 -5.476
40 2HO* G 4 2HO* G 4 16.672 -7.516 -6.423
41 H1* G 4 H1* G 4 19.930 -8.350 -6.716
42 H8 G 4 H8 G 4 21.737 -5.021 -6.786
43 H1 G 4 H1 G 4 22.305 -8.016 -1.176
44 1H2 G 4 1H2 G 4 20.890 -9.729 -1.085
45 2H2 G 4 2H2 G 4 19.814 -10.129 -2.404
46 1H5* U 5 1H5* U 5 14.268 -6.405 -5.446
47 2H5* U 5 2H5* U 5 13.819 -4.701 -5.228
48 H4* U 5 H4* U 5 13.874 -6.290 -3.128
49 H3* U 5 H3* U 5 15.113 -3.507 -3.306
50 1H2* U 5 1H2* U 5 15.809 -3.680 -1.064
51 2HO* U 5 2HO* U 5 14.978 -5.216 0.359
52 H1* U 5 H1* U 5 16.533 -6.350 -1.105
53 H3 U 5 H3 U 5 20.376 -3.971 -0.386
54 H5 U 5 H5 U 5 19.724 -3.758 -4.545
55 H6 U 5 H6 U 5 17.540 -4.731 -4.188
56 1H5* A 6 1H5* A 6 12.938 -3.838 0.647
57 2H5* A 6 2H5* A 6 11.821 -2.459 0.601
58 H4* A 6 H4* A 6 12.956 -2.502 2.767
59 H3* A 6 H3* A 6 13.626 -0.307 0.816
60 1H2* A 6 1H2* A 6 15.398 0.501 2.025
61 2HO* A 6 2HO* A 6 14.226 -0.662 4.355
62 H1* A 6 H1* A 6 16.129 -1.819 3.493
63 H8 A 6 H8 A 6 16.002 -1.319 -0.348
64 1H6 A 6 1H6 A 6 22.136 -0.954 -0.151
65 2H6 A 6 2H6 A 6 20.730 -0.979 -1.191
66 H2 A 6 H2 A 6 20.636 -1.326 4.075
67 1H5* A 7 1H5* A 7 12.653 4.152 3.461
68 2H5* A 7 2H5* A 7 13.863 3.382 2.407
69 H4* A 7 H4* A 7 13.987 3.564 5.456
70 H3* A 7 H3* A 7 15.443 5.005 3.200
71 1H2* A 7 1H2* A 7 17.408 5.022 4.498
72 2HO* A 7 2HO* A 7 17.409 4.600 6.716
73 H1* A 7 H1* A 7 17.152 2.476 5.563
74 H8 A 7 H8 A 7 16.385 2.947 1.811
75 1H6 A 7 1H6 A 7 22.301 1.585 0.800
76 2H6 A 7 2H6 A 7 20.759 1.930 0.049
77 H2 A 7 H2 A 7 21.678 1.821 5.244
78 1H5* G 8 1H5* G 8 16.259 8.226 6.586
79 2H5* G 8 2H5* G 8 16.523 9.631 5.519
80 H4* G 8 H4* G 8 18.455 8.729 7.081
81 H3* G 8 H3* G 8 18.815 9.274 4.090
82 1H2* G 8 1H2* G 8 21.132 8.901 4.430
83 2HO* G 8 2HO* G 8 21.438 10.040 6.359
84 H1* G 8 H1* G 8 20.797 6.715 6.113
85 H8 G 8 H8 G 8 18.443 6.679 3.105
86 H1 G 8 H1 G 8 24.256 4.438 1.737
87 1H2 G 8 1H2 G 8 25.116 5.582 4.923
88 2H2 G 8 2H2 G 8 25.635 4.797 3.448
89 1H5* G 9 1H5* G 9 21.435 13.119 4.978
90 2H5* G 9 2H5* G 9 20.893 13.988 3.521
91 H4* G 9 H4* G 9 23.419 13.289 3.818
92 H3* G 9 H3* G 9 21.796 12.687 1.301
93 1H2* G 9 1H2* G 9 23.856 11.993 0.326
94 2HO* G 9 2HO* G 9 25.256 12.825 2.661
95 H1* G 9 H1* G 9 24.717 10.572 2.538
96 H8 G 9 H8 G 9 21.055 9.853 2.200
97 H1 G 9 H1 G 9 24.420 6.802 -2.280
98 1H2 G 9 1H2 G 9 27.069 8.827 -1.236
99 2H2 G 9 2H2 G 9 26.513 7.568 -2.317
100 1H5* A 10 1H5* A 10 24.239 15.863 -0.747
101 2H5* A 10 2H5* A 10 23.256 16.339 -2.142
102 H4* A 10 H4* A 10 25.401 14.865 -2.516
103 H3* A 10 H3* A 10 22.645 14.327 -3.718
104 1H2* A 10 1H2* A 10 23.539 12.474 -4.827
105 2HO* A 10 2HO* A 10 25.737 12.149 -5.131
106 H1* A 10 H1* A 10 25.192 11.563 -2.819
107 H8 A 10 H8 A 10 22.163 12.007 -0.920
108 1H6 A 10 1H6 A 10 19.348 7.539 -4.105
109 2H6 A 10 2H6 A 10 19.282 8.527 -2.662
110 H2 A 10 H2 A 10 23.051 8.765 -6.360
111 1H5* U 11 1H5* U 11 23.816 12.389 -6.891
112 2H5* U 11 2H5* U 11 24.120 13.744 -7.989
113 H4* U 11 H4* U 11 22.956 12.080 -9.285
114 H3* U 11 H3* U 11 21.867 14.598 -9.081
115 1H2* U 11 1H2* U 11 20.345 14.156 -7.328
116 2HO* U 11 2HO* U 11 18.290 13.979 -8.303
117 H1* U 11 H1* U 11 19.555 11.537 -8.624
118 H3 U 11 H3 U 11 17.052 10.179 -5.166
119 H5 U 11 H5 U 11 19.768 12.820 -3.316
120 H6 U 11 H6 U 11 20.825 13.148 -5.471
121 1H5* U 12 1H5* U 12 23.672 11.510 -11.307
122 2H5* U 12 2H5* U 12 23.657 11.247 -13.052
123 H4* U 12 H4* U 12 23.161 9.358 -10.969
124 H3* U 12 H3* U 12 24.076 9.342 -13.529
125 1H2* U 12 1H2* U 12 22.073 9.594 -14.640
126 2HO* U 12 2HO* U 12 21.364 7.608 -15.403
127 H1* U 12 H1* U 12 20.486 7.815 -12.841
128 H3 U 12 H3 U 12 17.167 9.159 -15.673
129 H5 U 12 H5 U 12 18.503 12.724 -13.861
130 H6 U 12 H6 U 12 20.313 11.462 -12.852
131 1H5* A 13 1H5* A 13 27.275 4.888 -12.909
132 2H5* A 13 2H5* A 13 25.570 4.405 -12.928
133 H4* A 13 H4* A 13 27.235 5.487 -10.669
134 H3* A 13 H3* A 13 26.115 3.026 -11.111
135 1H2* A 13 1H2* A 13 23.847 3.705 -11.180
136 2HO* A 13 2HO* A 13 23.968 2.185 -9.483
137 H1* A 13 H1* A 13 24.303 5.531 -8.818
138 H8 A 13 H8 A 13 22.311 4.896 -12.066
139 1H6 A 13 1H6 A 13 18.299 8.968 -9.785
140 2H6 A 13 2H6 A 13 18.544 7.730 -10.995
141 H2 A 13 H2 A 13 22.084 9.163 -7.360
142 1H5* C 14 1H5* C 14 29.401 3.388 -8.897
143 2H5* C 14 2H5* C 14 30.129 2.724 -7.426
144 H4* C 14 H4* C 14 30.239 5.256 -7.633
145 H3* C 14 H3* C 14 28.867 3.898 -5.273
146 1H2* C 14 1H2* C 14 28.479 6.012 -4.314
147 2HO* C 14 2HO* C 14 30.229 7.144 -6.270
148 H1* C 14 H1* C 14 27.851 7.361 -6.663
149 1H4 C 14 1H4 C 14 22.237 4.440 -4.750
150 2H4 C 14 2H4 C 14 22.342 5.878 -3.760
151 H5 C 14 H5 C 14 23.995 3.754 -6.287
152 H6 C 14 H6 C 14 26.292 4.209 -7.021
153 1H5* C 15 1H5* C 15 32.633 4.833 -2.164
154 2H5* C 15 2H5* C 15 32.426 3.148 -1.643
155 H4* C 15 H4* C 15 32.025 5.085 0.091
156 H3* C 15 H3* C 15 30.104 2.759 -0.394
157 1H2* C 15 1H2* C 15 28.821 3.544 1.424
158 2HO* C 15 2HO* C 15 29.586 5.087 2.877
159 H1* C 15 H1* C 15 29.033 6.246 0.792
160 1H4 C 15 1H4 C 15 24.157 3.610 -2.890
161 2H4 C 15 2H4 C 15 23.434 3.815 -1.310
162 H5 C 15 H5 C 15 26.491 4.016 -3.336
163 H6 C 15 H6 C 15 28.630 4.712 -2.374
164 1H5* U 16 1H5* U 16 30.746 2.432 3.908
165 2H5* U 16 2H5* U 16 30.842 0.706 4.309
166 H4* U 16 H4* U 16 28.987 2.186 5.443
167 H3* U 16 H3* U 16 28.420 -0.498 4.087
168 1H2* U 16 1H2* U 16 26.230 -0.338 4.988
169 2HO* U 16 2HO* U 16 26.713 0.385 7.074
170 H1* U 16 H1* U 16 25.926 2.372 4.443
171 H3 U 16 H3 U 16 23.028 -0.314 1.967
172 H5 U 16 H5 U 16 26.565 0.032 -0.309
173 H6 U 16 H6 U 16 27.628 1.066 1.607
174 1H5* A 17 1H5* A 17 27.270 -2.176 8.322
175 2H5* A 17 2H5* A 17 27.776 -3.847 7.995
176 H4* A 17 H4* A 17 25.246 -3.361 8.473
177 H3* A 17 H3* A 17 26.216 -4.994 6.094
178 1H2* A 17 1H2* A 17 23.924 -5.501 5.711
179 2HO* A 17 2HO* A 17 23.046 -5.939 7.649
180 H1* A 17 H1* A 17 22.978 -2.947 6.234
181 H8 A 17 H8 A 17 26.076 -2.633 4.124
182 1H6 A 17 1H6 A 17 22.665 -3.962 -0.827
183 2H6 A 17 2H6 A 17 24.223 -3.398 -0.266
184 H2 A 17 H2 A 17 20.168 -4.755 2.827
185 1H5* U 18 1H5* U 18 23.849 -7.943 7.820
186 2H5* U 18 2H5* U 18 24.533 -9.541 7.459
187 H4* U 18 H4* U 18 22.309 -8.970 6.306
188 H3* U 18 H3* U 18 24.807 -9.761 4.738
189 1H2* U 18 1H2* U 18 23.537 -9.706 2.759
190 2HO* U 18 2HO* U 18 21.701 -10.816 3.436
191 H1* U 18 H1* U 18 22.030 -7.454 3.382
192 H3 U 18 H3 U 18 24.786 -6.691 -0.275
193 H5 U 18 H5 U 18 27.095 -5.770 3.134
194 H6 U 18 H6 U 18 25.334 -6.705 4.515
195 1H5* G 19 1H5* G 19 21.665 -13.481 3.747
196 2H5* G 19 2H5* G 19 22.920 -14.698 3.398
197 H4* G 19 H4* G 19 21.022 -14.169 1.640
198 H3* G 19 H3* G 19 24.007 -14.261 0.988
199 1H2* G 19 1H2* G 19 23.448 -13.958 -1.283
200 2HO* G 19 2HO* G 19 20.694 -14.329 -0.623
201 H1* G 19 H1* G 19 21.435 -12.096 -0.867
202 H8 G 19 H8 G 19 24.452 -11.326 1.295
203 H1 G 19 H1 G 19 25.243 -9.426 -4.745
204 1H2 G 19 1H2 G 19 22.328 -11.242 -5.373
205 2H2 G 19 2H2 G 19 23.606 -10.237 -6.018
206 1H5* C 20 1H5* C 20 21.882 -17.331 -1.797
207 2H5* C 20 2H5* C 20 23.135 -18.525 -2.193
208 H4* C 20 H4* C 20 21.957 -17.270 -4.155
209 H3* C 20 H3* C 20 24.996 -17.456 -3.856
210 1H2* C 20 1H2* C 20 25.169 -16.422 -5.976
211 2HO* C 20 2HO* C 20 22.346 -16.699 -6.314
212 H1* C 20 H1* C 20 23.099 -14.600 -5.597
213 1H4 C 20 1H4 C 20 28.624 -12.003 -2.968
214 2H4 C 20 2H4 C 20 28.535 -11.383 -4.600
215 H5 C 20 H5 C 20 27.084 -13.640 -2.091
216 H6 C 20 H6 C 20 25.132 -15.029 -2.589
217 1H5* C 21 1H5* C 21 23.922 -19.254 -7.819
218 2H5* C 21 2H5* C 21 25.108 -20.514 -8.215
219 H4* C 21 H4* C 21 24.798 -18.486 -9.857
220 H3* C 21 H3* C 21 27.483 -19.536 -8.846
221 1H2* C 21 1H2* C 21 28.563 -17.983 -10.252
222 2HO* C 21 2HO* C 21 26.044 -17.422 -11.482
223 H1* C 21 H1* C 21 26.790 -15.876 -9.837
224 1H4 C 21 1H4 C 21 31.258 -15.750 -4.917
225 2H4 C 21 2H4 C 21 31.864 -14.662 -6.145
226 H5 C 21 H5 C 21 29.290 -17.118 -5.221
227 H6 C 21 H6 C 21 27.488 -17.730 -6.762
228 H3T C 21 H3T C 21 26.290 -20.916 -10.204
Start of MODEL 10
1 1H5* G 1 1H5* G 1 37.605 -2.984 -5.558
2 2H5* G 1 2H5* G 1 38.783 -2.296 -6.706
3 H4* G 1 H4* G 1 37.461 -3.051 -8.565
4 H3* G 1 H3* G 1 35.235 -3.344 -6.504
5 1H2* G 1 1H2* G 1 34.311 -5.103 -7.765
6 2HO* G 1 2HO* G 1 34.314 -4.442 -9.834
7 H1* G 1 H1* G 1 36.696 -6.303 -8.508
8 H8 G 1 H8 G 1 36.642 -5.276 -4.835
9 H1 G 1 H1 G 1 33.821 -10.904 -5.882
10 1H2 G 1 1H2 G 1 34.128 -10.087 -9.262
11 2H2 G 1 2H2 G 1 33.586 -11.246 -8.068
12 H5T G 1 H5T G 1 37.468 -0.703 -5.716
13 1H5* G 2 1H5* G 2 33.071 -2.690 -10.565
14 2H5* G 2 2H5* G 2 31.512 -1.939 -10.131
15 H4* G 2 H4* G 2 31.559 -4.209 -11.453
16 H3* G 2 H3* G 2 29.934 -3.709 -8.920
17 1H2* G 2 1H2* G 2 29.033 -5.875 -9.087
18 2HO* G 2 2HO* G 2 28.524 -5.900 -11.287
19 H1* G 2 H1* G 2 31.353 -7.161 -9.916
20 H8 G 2 H8 G 2 32.103 -4.753 -7.088
21 H1 G 2 H1 G 2 29.648 -10.261 -4.995
22 1H2 G 2 1H2 G 2 28.991 -10.894 -8.366
23 2H2 G 2 2H2 G 2 28.891 -11.458 -6.713
24 1H5* C 3 1H5* C 3 26.398 -3.852 -12.124
25 2H5* C 3 2H5* C 3 25.187 -2.780 -11.390
26 H4* C 3 H4* C 3 24.541 -5.277 -11.799
27 H3* C 3 H3* C 3 24.191 -3.818 -9.140
28 1H2* C 3 1H2* C 3 23.170 -5.747 -8.257
29 2HO* C 3 2HO* C 3 23.060 -6.802 -10.912
30 H1* C 3 H1* C 3 24.842 -7.610 -9.469
31 1H4 C 3 1H4 C 3 27.749 -5.496 -3.868
32 2H4 C 3 2H4 C 3 26.894 -6.959 -3.442
33 H5 C 3 H5 C 3 27.615 -4.478 -6.050
34 H6 C 3 H6 C 3 26.634 -4.643 -8.284
35 1H5* G 4 1H5* G 4 19.944 -5.259 -10.393
36 2H5* G 4 2H5* G 4 18.809 -4.161 -9.563
37 H4* G 4 H4* G 4 18.704 -6.766 -9.163
38 H3* G 4 H3* G 4 18.752 -4.682 -6.925
39 1H2* G 4 1H2* G 4 18.429 -6.457 -5.391
40 2HO* G 4 2HO* G 4 16.809 -7.606 -6.459
41 H1* G 4 H1* G 4 20.114 -8.264 -6.648
42 H8 G 4 H8 G 4 21.741 -4.846 -6.450
43 H1 G 4 H1 G 4 22.225 -8.153 -1.011
44 1H2 G 4 1H2 G 4 20.908 -9.944 -1.092
45 2H2 G 4 2H2 G 4 19.918 -10.317 -2.484
46 1H5* U 5 1H5* U 5 14.366 -6.374 -5.351
47 2H5* U 5 2H5* U 5 13.884 -4.671 -5.204
48 H4* U 5 H4* U 5 13.927 -6.166 -3.046
49 H3* U 5 H3* U 5 15.172 -3.393 -3.312
50 1H2* U 5 1H2* U 5 15.826 -3.485 -1.052
51 2HO* U 5 2HO* U 5 14.158 -5.788 -0.760
52 H1* U 5 H1* U 5 16.546 -6.157 -0.985
53 H3 U 5 H3 U 5 20.382 -3.782 -0.263
54 H5 U 5 H5 U 5 19.807 -3.676 -4.439
55 H6 U 5 H6 U 5 17.614 -4.634 -4.097
56 1H5* A 6 1H5* A 6 12.795 -3.622 0.501
57 2H5* A 6 2H5* A 6 11.777 -2.167 0.508
58 H4* A 6 H4* A 6 12.946 -2.431 2.670
59 H3* A 6 H3* A 6 13.605 -0.114 0.857
60 1H2* A 6 1H2* A 6 15.402 0.591 2.095
61 2HO* A 6 2HO* A 6 15.552 0.112 4.379
62 H1* A 6 H1* A 6 16.127 -1.837 3.380
63 H8 A 6 H8 A 6 15.951 -1.093 -0.415
64 1H6 A 6 1H6 A 6 22.076 -0.602 -0.259
65 2H6 A 6 2H6 A 6 20.658 -0.579 -1.281
66 H2 A 6 H2 A 6 20.637 -1.306 3.946
67 1H5* A 7 1H5* A 7 12.925 4.179 3.713
68 2H5* A 7 2H5* A 7 14.080 3.330 2.658
69 H4* A 7 H4* A 7 14.180 3.314 5.713
70 H3* A 7 H3* A 7 15.659 4.973 3.626
71 1H2* A 7 1H2* A 7 17.612 4.847 4.941
72 2HO* A 7 2HO* A 7 17.583 4.171 7.102
73 H1* A 7 H1* A 7 17.341 2.203 5.721
74 H8 A 7 H8 A 7 16.577 3.023 2.036
75 1H6 A 7 1H6 A 7 22.528 1.911 0.910
76 2H6 A 7 2H6 A 7 20.978 2.290 0.192
77 H2 A 7 H2 A 7 21.899 1.699 5.351
78 1H5* G 8 1H5* G 8 16.380 8.059 6.873
79 2H5* G 8 2H5* G 8 16.540 9.537 5.888
80 H4* G 8 H4* G 8 18.620 8.522 7.169
81 H3* G 8 H3* G 8 18.665 9.291 4.205
82 1H2* G 8 1H2* G 8 20.997 8.880 4.267
83 2HO* G 8 2HO* G 8 22.051 9.384 6.019
84 H1* G 8 H1* G 8 20.826 6.584 5.819
85 H8 G 8 H8 G 8 18.140 6.465 3.175
86 H1 G 8 H1 G 8 23.913 5.189 0.781
87 1H2 G 8 1H2 G 8 25.099 6.276 3.877
88 2H2 G 8 2H2 G 8 25.482 5.653 2.289
89 1H5* G 9 1H5* G 9 21.964 11.759 5.962
90 2H5* G 9 2H5* G 9 22.167 13.183 4.913
91 H4* G 9 H4* G 9 24.138 11.460 5.255
92 H3* G 9 H3* G 9 23.181 12.402 2.510
93 1H2* G 9 1H2* G 9 25.086 11.277 1.627
94 2HO* G 9 2HO* G 9 26.731 10.480 2.944
95 H1* G 9 H1* G 9 24.790 9.011 3.190
96 H8 G 9 H8 G 9 21.333 9.930 2.109
97 H1 G 9 H1 G 9 24.642 7.402 -2.728
98 1H2 G 9 1H2 G 9 27.417 7.831 -0.650
99 2H2 G 9 2H2 G 9 26.803 7.292 -2.197
100 1H5* A 10 1H5* A 10 27.005 14.742 2.345
101 2H5* A 10 2H5* A 10 26.726 16.007 1.136
102 H4* A 10 H4* A 10 28.266 13.963 0.533
103 H3* A 10 H3* A 10 26.012 15.067 -1.208
104 1H2* A 10 1H2* A 10 26.531 13.467 -2.826
105 2HO* A 10 2HO* A 10 28.954 12.919 -1.419
106 H1* A 10 H1* A 10 27.082 11.352 -1.151
107 H8 A 10 H8 A 10 23.948 12.331 0.274
108 1H6 A 10 1H6 A 10 20.936 10.883 -4.908
109 2H6 A 10 2H6 A 10 20.763 11.224 -3.200
110 H2 A 10 H2 A 10 25.329 11.179 -5.859
111 1H5* U 11 1H5* U 11 27.296 13.974 -4.661
112 2H5* U 11 2H5* U 11 28.442 15.282 -4.984
113 H4* U 11 H4* U 11 27.304 14.898 -7.056
114 H3* U 11 H3* U 11 27.150 17.407 -5.941
115 1H2* U 11 1H2* U 11 25.059 17.173 -4.872
116 2HO* U 11 2HO* U 11 24.818 18.947 -6.270
117 H1* U 11 H1* U 11 23.921 15.787 -7.312
118 H3 U 11 H3 U 11 20.047 14.821 -5.277
119 H5 U 11 H5 U 11 22.771 14.809 -2.060
120 H6 U 11 H6 U 11 24.539 15.335 -3.632
121 1H5* U 12 1H5* U 12 28.468 14.762 -8.937
122 2H5* U 12 2H5* U 12 28.962 15.074 -10.603
123 H4* U 12 H4* U 12 27.110 13.124 -9.636
124 H3* U 12 H3* U 12 28.789 13.424 -11.760
125 1H2* U 12 1H2* U 12 27.548 14.922 -12.999
126 2HO* U 12 2HO* U 12 26.567 13.859 -14.666
127 H1* U 12 H1* U 12 24.894 13.678 -12.434
128 H3 U 12 H3 U 12 23.541 17.214 -14.987
129 H5 U 12 H5 U 12 25.374 18.989 -11.628
130 H6 U 12 H6 U 12 26.101 16.780 -10.936
131 1H5* A 13 1H5* A 13 29.692 8.044 -12.418
132 2H5* A 13 2H5* A 13 28.063 8.437 -12.997
133 H4* A 13 H4* A 13 29.036 7.941 -10.195
134 H3* A 13 H3* A 13 27.368 6.516 -11.838
135 1H2* A 13 1H2* A 13 25.684 8.163 -12.105
136 2HO* A 13 2HO* A 13 23.960 7.542 -10.750
137 H1* A 13 H1* A 13 25.850 8.816 -9.158
138 H8 A 13 H8 A 13 25.126 10.143 -12.708
139 1H6 A 13 1H6 A 13 22.221 14.747 -9.833
140 2H6 A 13 2H6 A 13 22.459 13.948 -11.372
141 H2 A 13 H2 A 13 24.635 12.457 -6.807
142 1H5* C 14 1H5* C 14 29.963 5.285 -9.419
143 2H5* C 14 2H5* C 14 30.270 3.937 -8.316
144 H4* C 14 H4* C 14 31.055 6.124 -7.395
145 H3* C 14 H3* C 14 28.809 4.619 -5.990
146 1H2* C 14 1H2* C 14 28.773 6.262 -4.308
147 2HO* C 14 2HO* C 14 30.993 6.454 -3.939
148 H1* C 14 H1* C 14 29.148 8.472 -5.951
149 1H4 C 14 1H4 C 14 22.670 7.205 -6.252
150 2H4 C 14 2H4 C 14 22.875 8.000 -4.706
151 H5 C 14 H5 C 14 24.536 6.610 -7.698
152 H6 C 14 H6 C 14 26.982 6.461 -7.835
153 1H5* C 15 1H5* C 15 32.381 3.984 -3.031
154 2H5* C 15 2H5* C 15 32.252 2.297 -2.489
155 H4* C 15 H4* C 15 32.225 4.060 -0.632
156 H3* C 15 H3* C 15 29.953 2.063 -1.017
157 1H2* C 15 1H2* C 15 28.884 2.925 0.886
158 2HO* C 15 2HO* C 15 31.309 4.316 1.483
159 H1* C 15 H1* C 15 29.465 5.611 0.451
160 1H4 C 15 1H4 C 15 24.042 4.268 -3.128
161 2H4 C 15 2H4 C 15 23.445 4.358 -1.485
162 H5 C 15 H5 C 15 26.392 4.337 -3.686
163 H6 C 15 H6 C 15 28.664 4.526 -2.790
164 1H5* U 16 1H5* U 16 31.095 1.604 3.139
165 2H5* U 16 2H5* U 16 31.003 -0.097 3.640
166 H4* U 16 H4* U 16 29.520 1.697 4.880
167 H3* U 16 H3* U 16 28.490 -0.976 3.805
168 1H2* U 16 1H2* U 16 26.408 -0.494 4.832
169 2HO* U 16 2HO* U 16 27.088 0.295 6.821
170 H1* U 16 H1* U 16 26.348 2.186 4.115
171 H3 U 16 H3 U 16 23.040 -0.261 1.944
172 H5 U 16 H5 U 16 26.486 -0.563 -0.470
173 H6 U 16 H6 U 16 27.756 0.470 1.313
174 1H5* A 17 1H5* A 17 27.484 -2.365 8.233
175 2H5* A 17 2H5* A 17 27.933 -4.052 7.901
176 H4* A 17 H4* A 17 25.448 -3.503 8.528
177 H3* A 17 H3* A 17 26.279 -5.207 6.148
178 1H2* A 17 1H2* A 17 23.978 -5.647 5.795
179 2HO* A 17 2HO* A 17 22.400 -5.174 7.340
180 H1* A 17 H1* A 17 23.074 -3.083 6.328
181 H8 A 17 H8 A 17 26.154 -2.833 4.175
182 1H6 A 17 1H6 A 17 22.636 -4.025 -0.735
183 2H6 A 17 2H6 A 17 24.217 -3.506 -0.190
184 H2 A 17 H2 A 17 20.173 -4.785 2.948
185 1H5* U 18 1H5* U 18 23.799 -7.970 7.957
186 2H5* U 18 2H5* U 18 24.412 -9.615 7.691
187 H4* U 18 H4* U 18 22.226 -9.071 6.502
188 H3* U 18 H3* U 18 24.713 -9.917 4.950
189 1H2* U 18 1H2* U 18 23.458 -9.884 2.964
190 2HO* U 18 2HO* U 18 21.091 -9.615 4.540
191 H1* U 18 H1* U 18 21.963 -7.610 3.530
192 H3 U 18 H3 U 18 24.730 -6.866 -0.106
193 H5 U 18 H5 U 18 27.069 -6.027 3.300
194 H6 U 18 H6 U 18 25.295 -6.936 4.675
195 1H5* G 19 1H5* G 19 21.948 -13.956 3.826
196 2H5* G 19 2H5* G 19 23.420 -14.933 3.584
197 H4* G 19 H4* G 19 21.652 -14.639 1.641
198 H3* G 19 H3* G 19 24.662 -14.211 1.313
199 1H2* G 19 1H2* G 19 24.286 -13.922 -1.002
200 2HO* G 19 2HO* G 19 22.861 -15.606 -1.418
201 H1* G 19 H1* G 19 21.971 -12.417 -0.747
202 H8 G 19 H8 G 19 24.703 -11.406 1.715
203 H1 G 19 H1 G 19 25.518 -8.835 -4.063
204 1H2 G 19 1H2 G 19 22.920 -10.947 -5.043
205 2H2 G 19 2H2 G 19 24.078 -9.719 -5.507
206 1H5* C 20 1H5* C 20 23.970 -17.472 -1.928
207 2H5* C 20 2H5* C 20 25.562 -18.255 -1.943
208 H4* C 20 H4* C 20 24.683 -17.100 -4.133
209 H3* C 20 H3* C 20 27.468 -16.618 -2.957
210 1H2* C 20 1H2* C 20 27.949 -15.413 -4.942
211 2HO* C 20 2HO* C 20 25.459 -16.264 -6.046
212 H1* C 20 H1* C 20 25.477 -14.142 -5.099
213 1H4 C 20 1H4 C 20 29.350 -10.613 -1.006
214 2H4 C 20 2H4 C 20 29.660 -9.973 -2.603
215 H5 C 20 H5 C 20 27.954 -12.540 -0.604
216 H6 C 20 H6 C 20 26.557 -14.258 -1.645
217 1H5* C 21 1H5* C 21 27.879 -18.335 -7.113
218 2H5* C 21 2H5* C 21 29.411 -19.223 -7.229
219 H4* C 21 H4* C 21 28.948 -17.246 -8.896
220 H3* C 21 H3* C 21 31.525 -17.625 -7.297
221 1H2* C 21 1H2* C 21 32.435 -15.770 -8.436
222 2HO* C 21 2HO* C 21 30.181 -15.801 -10.195
223 H1* C 21 H1* C 21 30.118 -14.224 -8.434
224 1H4 C 21 1H4 C 21 33.225 -13.203 -2.649
225 2H4 C 21 2H4 C 21 33.763 -11.926 -3.715
226 H5 C 21 H5 C 21 31.813 -15.024 -3.375
227 H6 C 21 H6 C 21 30.616 -16.002 -5.273
228 H3T C 21 H3T C 21 32.197 -18.438 -9.314
Start of MODEL 11
1 1H5* G 1 1H5* G 1 37.691 -9.406 -7.261
2 2H5* G 1 2H5* G 1 38.717 -9.349 -8.717
3 H4* G 1 H4* G 1 36.817 -9.859 -10.108
4 H3* G 1 H3* G 1 35.176 -9.093 -7.657
5 1H2* G 1 1H2* G 1 33.498 -10.603 -8.318
6 2HO* G 1 2HO* G 1 33.371 -11.459 -10.395
7 H1* G 1 H1* G 1 35.164 -12.626 -9.217
8 H8 G 1 H8 G 1 36.344 -11.152 -5.910
9 H1 G 1 H1 G 1 31.730 -15.500 -5.169
10 1H2 G 1 1H2 G 1 31.426 -15.322 -8.642
11 2H2 G 1 2H2 G 1 30.864 -16.038 -7.147
12 H5T G 1 H5T G 1 36.870 -7.449 -7.742
13 1H5* G 2 1H5* G 2 32.501 -8.577 -11.353
14 2H5* G 2 2H5* G 2 31.348 -7.272 -10.968
15 H4* G 2 H4* G 2 30.446 -9.620 -11.680
16 H3* G 2 H3* G 2 29.576 -8.152 -9.152
17 1H2* G 2 1H2* G 2 28.049 -9.884 -8.692
18 2HO* G 2 2HO* G 2 28.523 -10.877 -11.333
19 H1* G 2 H1* G 2 29.667 -12.000 -9.486
20 H8 G 2 H8 G 2 31.631 -9.513 -7.407
21 H1 G 2 H1 G 2 28.093 -13.422 -3.810
22 1H2 G 2 1H2 G 2 26.642 -14.393 -6.835
23 2H2 G 2 2H2 G 2 26.695 -14.584 -5.096
24 1H5* C 3 1H5* C 3 25.741 -8.395 -11.724
25 2H5* C 3 2H5* C 3 24.700 -7.043 -11.232
26 H4* C 3 H4* C 3 23.839 -9.510 -10.911
27 H3* C 3 H3* C 3 23.748 -7.330 -8.772
28 1H2* C 3 1H2* C 3 22.580 -8.835 -7.380
29 2HO* C 3 2HO* C 3 21.075 -9.791 -8.621
30 H1* C 3 H1* C 3 24.058 -11.096 -8.041
31 1H4 C 3 1H4 C 3 27.312 -7.775 -3.281
32 2H4 C 3 2H4 C 3 26.313 -8.943 -2.448
33 H5 C 3 H5 C 3 27.227 -7.429 -5.668
34 H6 C 3 H6 C 3 26.169 -8.129 -7.760
35 1H5* G 4 1H5* G 4 19.325 -8.551 -9.419
36 2H5* G 4 2H5* G 4 18.369 -7.135 -8.907
37 H4* G 4 H4* G 4 18.036 -9.482 -7.749
38 H3* G 4 H3* G 4 18.455 -6.862 -6.226
39 1H2* G 4 1H2* G 4 18.059 -8.073 -4.232
40 2HO* G 4 2HO* G 4 17.265 -10.327 -5.794
41 H1* G 4 H1* G 4 19.459 -10.348 -4.969
42 H8 G 4 H8 G 4 21.449 -7.238 -5.825
43 H1 G 4 H1 G 4 21.922 -8.865 0.329
44 1H2 G 4 1H2 G 4 20.428 -10.441 0.815
45 2H2 G 4 2H2 G 4 19.323 -11.084 -0.379
46 1H5* U 5 1H5* U 5 14.016 -7.632 -4.083
47 2H5* U 5 2H5* U 5 13.692 -5.915 -4.394
48 H4* U 5 H4* U 5 13.724 -6.781 -1.908
49 H3* U 5 H3* U 5 15.140 -4.294 -2.962
50 1H2* U 5 1H2* U 5 15.909 -3.812 -0.792
51 2HO* U 5 2HO* U 5 14.113 -5.809 0.189
52 H1* U 5 H1* U 5 16.447 -6.411 -0.007
53 H3 U 5 H3 U 5 20.449 -4.182 -0.114
54 H5 U 5 H5 U 5 19.713 -5.334 -4.105
55 H6 U 5 H6 U 5 17.476 -5.969 -3.441
56 1H5* A 6 1H5* A 6 12.570 -3.648 0.643
57 2H5* A 6 2H5* A 6 11.690 -2.111 0.528
58 H4* A 6 H4* A 6 12.799 -2.415 2.749
59 H3* A 6 H3* A 6 13.489 -0.157 0.890
60 1H2* A 6 1H2* A 6 15.346 0.524 2.035
61 2HO* A 6 2HO* A 6 15.541 0.197 4.327
62 H1* A 6 H1* A 6 16.033 -1.855 3.428
63 H8 A 6 H8 A 6 15.802 -1.328 -0.390
64 1H6 A 6 1H6 A 6 21.936 -0.938 -0.379
65 2H6 A 6 2H6 A 6 20.500 -0.959 -1.375
66 H2 A 6 H2 A 6 20.563 -1.333 3.888
67 1H5* A 7 1H5* A 7 12.789 4.209 3.807
68 2H5* A 7 2H5* A 7 13.911 3.491 2.627
69 H4* A 7 H4* A 7 14.243 3.480 5.667
70 H3* A 7 H3* A 7 15.575 5.032 3.406
71 1H2* A 7 1H2* A 7 17.624 4.933 4.564
72 2HO* A 7 2HO* A 7 17.768 4.389 6.747
73 H1* A 7 H1* A 7 17.384 2.332 5.494
74 H8 A 7 H8 A 7 16.357 2.947 1.838
75 1H6 A 7 1H6 A 7 22.200 1.701 0.344
76 2H6 A 7 2H6 A 7 20.603 2.046 -0.279
77 H2 A 7 H2 A 7 21.908 1.797 4.826
78 1H5* G 8 1H5* G 8 16.456 8.144 6.888
79 2H5* G 8 2H5* G 8 16.722 9.596 5.887
80 H4* G 8 H4* G 8 18.672 8.582 7.359
81 H3* G 8 H3* G 8 18.954 9.301 4.399
82 1H2* G 8 1H2* G 8 21.268 8.836 4.610
83 2HO* G 8 2HO* G 8 20.928 8.505 7.423
84 H1* G 8 H1* G 8 20.953 6.541 6.122
85 H8 G 8 H8 G 8 18.373 6.777 3.325
86 H1 G 8 H1 G 8 24.015 4.622 1.280
87 1H2 G 8 1H2 G 8 25.160 5.483 4.461
88 2H2 G 8 2H2 G 8 25.540 4.822 2.887
89 1H5* G 9 1H5* G 9 22.138 12.193 5.865
90 2H5* G 9 2H5* G 9 22.069 13.470 4.627
91 H4* G 9 H4* G 9 24.244 12.012 4.949
92 H3* G 9 H3* G 9 22.896 12.483 2.250
93 1H2* G 9 1H2* G 9 24.787 11.414 1.270
94 2HO* G 9 2HO* G 9 26.019 11.237 3.831
95 H1* G 9 H1* G 9 24.877 9.336 3.081
96 H8 G 9 H8 G 9 21.238 9.925 2.438
97 H1 G 9 H1 G 9 23.998 7.008 -2.518
98 1H2 G 9 1H2 G 9 27.004 7.847 -0.946
99 2H2 G 9 2H2 G 9 26.215 7.089 -2.313
100 1H5* A 10 1H5* A 10 26.460 15.109 1.412
101 2H5* A 10 2H5* A 10 25.964 16.176 0.086
102 H4* A 10 H4* A 10 27.652 14.220 -0.397
103 H3* A 10 H3* A 10 25.173 14.877 -2.057
104 1H2* A 10 1H2* A 10 25.745 13.139 -3.508
105 2HO* A 10 2HO* A 10 27.924 13.530 -3.825
106 H1* A 10 H1* A 10 26.623 11.319 -1.644
107 H8 A 10 H8 A 10 23.554 12.041 -0.053
108 1H6 A 10 1H6 A 10 20.270 9.966 -4.840
109 2H6 A 10 2H6 A 10 20.217 10.380 -3.141
110 H2 A 10 H2 A 10 24.486 10.716 -6.238
111 1H5* U 11 1H5* U 11 25.849 13.454 -5.416
112 2H5* U 11 2H5* U 11 27.045 14.635 -5.956
113 H4* U 11 H4* U 11 25.757 14.232 -7.903
114 H3* U 11 H3* U 11 25.637 16.781 -6.862
115 1H2* U 11 1H2* U 11 23.626 16.631 -5.697
116 2HO* U 11 2HO* U 11 22.768 17.183 -8.375
117 H1* U 11 H1* U 11 22.314 15.033 -7.906
118 H3 U 11 H3 U 11 18.678 14.401 -5.362
119 H5 U 11 H5 U 11 21.803 14.127 -2.546
120 H6 U 11 H6 U 11 23.376 14.573 -4.336
121 1H5* U 12 1H5* U 12 27.140 14.127 -11.727
122 2H5* U 12 2H5* U 12 25.707 15.162 -11.732
123 H4* U 12 H4* U 12 25.657 12.524 -10.248
124 H3* U 12 H3* U 12 26.273 12.597 -12.888
125 1H2* U 12 1H2* U 12 24.503 13.820 -13.714
126 2HO* U 12 2HO* U 12 24.131 12.003 -14.872
127 H1* U 12 H1* U 12 22.454 12.545 -11.963
128 H3 U 12 H3 U 12 19.790 15.568 -14.082
129 H5 U 12 H5 U 12 22.646 17.933 -12.075
130 H6 U 12 H6 U 12 23.828 15.898 -11.493
131 1H5* A 13 1H5* A 13 27.432 7.173 -12.957
132 2H5* A 13 2H5* A 13 25.706 7.415 -13.281
133 H4* A 13 H4* A 13 27.170 7.294 -10.653
134 H3* A 13 H3* A 13 25.381 5.590 -11.842
135 1H2* A 13 1H2* A 13 23.541 7.070 -11.958
136 2HO* A 13 2HO* A 13 22.132 6.484 -10.268
137 H1* A 13 H1* A 13 24.147 8.054 -9.163
138 H8 A 13 H8 A 13 22.739 8.950 -12.647
139 1H6 A 13 1H6 A 13 19.844 13.523 -9.703
140 2H6 A 13 2H6 A 13 19.916 12.603 -11.190
141 H2 A 13 H2 A 13 22.945 11.770 -6.954
142 1H5* C 14 1H5* C 14 28.428 4.848 -9.818
143 2H5* C 14 2H5* C 14 29.065 3.628 -8.706
144 H4* C 14 H4* C 14 29.755 5.936 -8.063
145 H3* C 14 H3* C 14 27.923 4.355 -6.213
146 1H2* C 14 1H2* C 14 27.984 6.120 -4.658
147 2HO* C 14 2HO* C 14 30.201 6.546 -4.668
148 H1* C 14 H1* C 14 27.863 8.214 -6.481
149 1H4 C 14 1H4 C 14 21.577 6.362 -5.696
150 2H4 C 14 2H4 C 14 21.930 7.271 -4.244
151 H5 C 14 H5 C 14 23.256 5.827 -7.370
152 H6 C 14 H6 C 14 25.657 5.890 -7.878
153 1H5* C 15 1H5* C 15 31.806 4.193 -3.612
154 2H5* C 15 2H5* C 15 31.799 2.525 -3.001
155 H4* C 15 H4* C 15 31.746 4.400 -1.231
156 H3* C 15 H3* C 15 29.658 2.181 -1.375
157 1H2* C 15 1H2* C 15 28.630 3.035 0.556
158 2HO* C 15 2HO* C 15 29.641 4.538 1.915
159 H1* C 15 H1* C 15 28.916 5.737 -0.048
160 1H4 C 15 1H4 C 15 23.463 3.623 -3.193
161 2H4 C 15 2H4 C 15 22.954 3.771 -1.526
162 H5 C 15 H5 C 15 25.754 3.893 -3.902
163 H6 C 15 H6 C 15 28.040 4.372 -3.171
164 1H5* U 16 1H5* U 16 30.907 2.046 2.689
165 2H5* U 16 2H5* U 16 30.986 0.379 3.296
166 H4* U 16 H4* U 16 29.321 2.086 4.422
167 H3* U 16 H3* U 16 28.550 -0.732 3.510
168 1H2* U 16 1H2* U 16 26.450 -0.379 4.557
169 2HO* U 16 2HO* U 16 26.075 1.340 5.964
170 H1* U 16 H1* U 16 26.156 2.246 3.698
171 H3 U 16 H3 U 16 22.952 -0.497 1.774
172 H5 U 16 H5 U 16 26.365 -0.827 -0.685
173 H6 U 16 H6 U 16 27.615 0.408 0.982
174 1H5* A 17 1H5* A 17 27.446 -1.259 7.823
175 2H5* A 17 2H5* A 17 27.969 -2.925 8.145
176 H4* A 17 H4* A 17 25.485 -2.488 8.486
177 H3* A 17 H3* A 17 26.417 -4.572 6.476
178 1H2* A 17 1H2* A 17 24.139 -5.167 6.209
179 2HO* A 17 2HO* A 17 22.535 -4.511 7.640
180 H1* A 17 H1* A 17 23.124 -2.590 6.252
181 H8 A 17 H8 A 17 26.249 -2.772 4.106
182 1H6 A 17 1H6 A 17 22.696 -4.716 -0.535
183 2H6 A 17 2H6 A 17 24.295 -4.168 -0.081
184 H2 A 17 H2 A 17 20.197 -4.690 3.205
185 1H5* U 18 1H5* U 18 24.046 -6.925 8.957
186 2H5* U 18 2H5* U 18 24.665 -8.585 9.070
187 H4* U 18 H4* U 18 22.428 -8.373 7.890
188 H3* U 18 H3* U 18 24.866 -9.503 6.444
189 1H2* U 18 1H2* U 18 23.526 -9.939 4.564
190 2HO* U 18 2HO* U 18 21.751 -10.874 5.635
191 H1* U 18 H1* U 18 21.985 -7.629 4.681
192 H3 U 18 H3 U 18 24.529 -7.608 0.824
193 H5 U 18 H5 U 18 27.042 -6.072 3.841
194 H6 U 18 H6 U 18 25.366 -6.690 5.477
195 1H5* G 19 1H5* G 19 21.789 -13.319 6.648
196 2H5* G 19 2H5* G 19 22.975 -14.637 6.442
197 H4* G 19 H4* G 19 20.936 -14.376 4.782
198 H3* G 19 H3* G 19 23.846 -14.754 3.947
199 1H2* G 19 1H2* G 19 23.165 -14.814 1.697
200 2HO* G 19 2HO* G 19 20.462 -15.001 2.607
201 H1* G 19 H1* G 19 21.254 -12.813 1.860
202 H8 G 19 H8 G 19 24.445 -11.906 3.720
203 H1 G 19 H1 G 19 24.920 -10.924 -2.563
204 1H2 G 19 1H2 G 19 21.873 -12.611 -2.756
205 2H2 G 19 2H2 G 19 23.161 -11.792 -3.610
206 1H5* C 20 1H5* C 20 21.748 -18.112 1.723
207 2H5* C 20 2H5* C 20 22.969 -19.396 1.600
208 H4* C 20 H4* C 20 22.007 -18.414 -0.609
209 H3* C 20 H3* C 20 25.015 -18.571 -0.053
210 1H2* C 20 1H2* C 20 25.325 -17.914 -2.312
211 2HO* C 20 2HO* C 20 23.635 -17.910 -3.814
212 H1* C 20 H1* C 20 23.279 -16.026 -2.336
213 1H4 C 20 1H4 C 20 28.713 -13.110 0.147
214 2H4 C 20 2H4 C 20 28.782 -12.837 -1.578
215 H5 C 20 H5 C 20 27.037 -14.492 1.198
216 H6 C 20 H6 C 20 25.072 -15.902 0.821
217 1H5* C 21 1H5* C 21 24.024 -21.038 -3.705
218 2H5* C 21 2H5* C 21 25.225 -22.334 -3.883
219 H4* C 21 H4* C 21 24.891 -20.621 -5.847
220 H3* C 21 H3* C 21 27.590 -21.447 -4.676
221 1H2* C 21 1H2* C 21 28.646 -20.145 -6.337
222 2HO* C 21 2HO* C 21 27.534 -19.365 -8.155
223 H1* C 21 H1* C 21 26.845 -18.022 -6.280
224 1H4 C 21 1H4 C 21 31.338 -17.019 -1.482
225 2H4 C 21 2H4 C 21 31.908 -16.120 -2.871
226 H5 C 21 H5 C 21 29.402 -18.458 -1.545
227 H6 C 21 H6 C 21 27.602 -19.343 -2.946
228 H3T C 21 H3T C 21 26.385 -23.047 -5.776
Start of MODEL 12
1 1H5* G 1 1H5* G 1 36.712 -6.574 -8.552
2 2H5* G 1 2H5* G 1 36.885 -7.251 -6.911
3 H4* G 1 H4* G 1 36.740 -8.813 -9.554
4 H3* G 1 H3* G 1 34.687 -8.189 -7.388
5 1H2* G 1 1H2* G 1 33.746 -10.324 -7.670
6 2HO* G 1 2HO* G 1 35.315 -10.594 -10.045
7 H1* G 1 H1* G 1 36.118 -11.721 -8.014
8 H8 G 1 H8 G 1 36.331 -9.190 -5.176
9 H1 G 1 H1 G 1 33.565 -14.664 -3.403
10 1H2 G 1 1H2 G 1 33.581 -15.418 -6.812
11 2H2 G 1 2H2 G 1 33.164 -15.928 -5.192
12 H5T G 1 H5T G 1 38.901 -8.032 -7.488
13 1H5* G 2 1H5* G 2 32.352 -9.550 -11.138
14 2H5* G 2 2H5* G 2 30.888 -8.531 -11.161
15 H4* G 2 H4* G 2 30.562 -11.077 -11.334
16 H3* G 2 H3* G 2 29.291 -9.450 -9.086
17 1H2* G 2 1H2* G 2 28.193 -11.395 -8.341
18 2HO* G 2 2HO* G 2 28.007 -13.251 -9.603
19 H1* G 2 H1* G 2 30.303 -13.154 -8.764
20 H8 G 2 H8 G 2 31.492 -9.928 -7.153
21 H1 G 2 H1 G 2 28.951 -13.976 -2.923
22 1H2 G 2 1H2 G 2 27.925 -15.782 -5.732
23 2H2 G 2 2H2 G 2 27.960 -15.664 -3.988
24 1H5* C 3 1H5* C 3 25.186 -10.158 -11.586
25 2H5* C 3 2H5* C 3 24.373 -8.657 -11.092
26 H4* C 3 H4* C 3 23.283 -10.966 -10.473
27 H3* C 3 H3* C 3 23.711 -8.664 -8.508
28 1H2* C 3 1H2* C 3 22.545 -9.934 -6.891
29 2HO* C 3 2HO* C 3 20.808 -10.675 -8.084
30 H1* C 3 H1* C 3 23.654 -12.396 -7.562
31 1H4 C 3 1H4 C 3 27.819 -9.314 -3.388
32 2H4 C 3 2H4 C 3 26.833 -10.365 -2.398
33 H5 C 3 H5 C 3 27.458 -9.010 -5.756
34 H6 C 3 H6 C 3 26.077 -9.645 -7.674
35 1H5* G 4 1H5* G 4 19.179 -9.378 -8.959
36 2H5* G 4 2H5* G 4 18.306 -7.882 -8.534
37 H4* G 4 H4* G 4 17.815 -10.146 -7.265
38 H3* G 4 H3* G 4 18.343 -7.459 -5.911
39 1H2* G 4 1H2* G 4 17.942 -8.488 -3.824
40 2HO* G 4 2HO* G 4 16.077 -9.651 -4.327
41 H1* G 4 H1* G 4 19.219 -10.883 -4.378
42 H8 G 4 H8 G 4 21.310 -7.941 -5.547
43 H1 G 4 H1 G 4 21.860 -9.037 0.717
44 1H2 G 4 1H2 G 4 20.327 -10.511 1.368
45 2H2 G 4 2H2 G 4 19.177 -11.216 0.257
46 1H5* U 5 1H5* U 5 13.924 -7.951 -3.645
47 2H5* U 5 2H5* U 5 13.635 -6.257 -4.089
48 H4* U 5 H4* U 5 13.679 -6.922 -1.544
49 H3* U 5 H3* U 5 15.142 -4.562 -2.804
50 1H2* U 5 1H2* U 5 15.946 -3.930 -0.688
51 2HO* U 5 2HO* U 5 15.085 -4.772 1.243
52 H1* U 5 H1* U 5 16.431 -6.471 0.296
53 H3 U 5 H3 U 5 20.477 -4.340 -0.037
54 H5 U 5 H5 U 5 19.683 -5.839 -3.899
55 H6 U 5 H6 U 5 17.437 -6.356 -3.165
56 1H5* A 6 1H5* A 6 12.503 -3.628 0.703
57 2H5* A 6 2H5* A 6 11.694 -2.057 0.533
58 H4* A 6 H4* A 6 12.777 -2.404 2.785
59 H3* A 6 H3* A 6 13.408 -0.136 0.937
60 1H2* A 6 1H2* A 6 15.334 0.522 1.959
61 2HO* A 6 2HO* A 6 15.610 0.254 4.270
62 H1* A 6 H1* A 6 16.017 -1.813 3.451
63 H8 A 6 H8 A 6 15.798 -1.419 -0.383
64 1H6 A 6 1H6 A 6 21.930 -1.038 -0.374
65 2H6 A 6 2H6 A 6 20.495 -1.094 -1.370
66 H2 A 6 H2 A 6 20.550 -1.268 3.903
67 1H5* A 7 1H5* A 7 12.769 4.186 3.976
68 2H5* A 7 2H5* A 7 13.852 3.523 2.730
69 H4* A 7 H4* A 7 14.317 3.462 5.751
70 H3* A 7 H3* A 7 15.537 5.046 3.450
71 1H2* A 7 1H2* A 7 17.639 4.942 4.509
72 2HO* A 7 2HO* A 7 17.059 5.476 6.610
73 H1* A 7 H1* A 7 17.457 2.332 5.424
74 H8 A 7 H8 A 7 16.260 2.996 1.826
75 1H6 A 7 1H6 A 7 22.023 1.753 0.046
76 2H6 A 7 2H6 A 7 20.401 2.119 -0.498
77 H2 A 7 H2 A 7 21.931 1.769 4.539
78 1H5* G 8 1H5* G 8 16.603 7.806 7.137
79 2H5* G 8 2H5* G 8 16.901 9.368 6.328
80 H4* G 8 H4* G 8 18.829 8.135 7.653
81 H3* G 8 H3* G 8 19.090 9.259 4.825
82 1H2* G 8 1H2* G 8 21.367 8.653 4.841
83 2HO* G 8 2HO* G 8 22.475 8.117 6.723
84 H1* G 8 H1* G 8 21.055 6.216 6.127
85 H8 G 8 H8 G 8 18.433 6.860 3.425
86 H1 G 8 H1 G 8 23.915 4.604 1.074
87 1H2 G 8 1H2 G 8 25.149 5.092 4.302
88 2H2 G 8 2H2 G 8 25.470 4.565 2.665
89 1H5* G 9 1H5* G 9 22.555 11.323 6.766
90 2H5* G 9 2H5* G 9 22.739 12.843 5.853
91 H4* G 9 H4* G 9 24.650 11.018 5.845
92 H3* G 9 H3* G 9 23.519 12.290 3.307
93 1H2* G 9 1H2* G 9 25.260 11.182 2.135
94 2HO* G 9 2HO* G 9 26.389 10.337 4.609
95 H1* G 9 H1* G 9 25.044 8.788 3.525
96 H8 G 9 H8 G 9 21.551 9.907 2.768
97 H1 G 9 H1 G 9 24.430 7.647 -2.464
98 1H2 G 9 1H2 G 9 27.347 7.803 -0.546
99 2H2 G 9 2H2 G 9 26.612 7.406 -2.083
100 1H5* A 10 1H5* A 10 27.402 14.508 2.903
101 2H5* A 10 2H5* A 10 27.008 15.883 1.855
102 H4* A 10 H4* A 10 28.375 13.860 0.876
103 H3* A 10 H3* A 10 25.956 15.178 -0.443
104 1H2* A 10 1H2* A 10 26.184 13.708 -2.248
105 2HO* A 10 2HO* A 10 28.053 12.537 -2.665
106 H1* A 10 H1* A 10 26.868 11.439 -0.838
107 H8 A 10 H8 A 10 23.989 12.537 1.067
108 1H6 A 10 1H6 A 10 20.262 11.273 -3.678
109 2H6 A 10 2H6 A 10 20.330 11.607 -1.962
110 H2 A 10 H2 A 10 24.504 11.367 -5.184
111 1H5* U 11 1H5* U 11 27.136 14.342 -4.163
112 2H5* U 11 2H5* U 11 28.142 15.758 -4.493
113 H4* U 11 H4* U 11 26.833 15.371 -6.486
114 H3* U 11 H3* U 11 26.683 17.820 -5.249
115 1H2* U 11 1H2* U 11 24.718 17.427 -3.990
116 2HO* U 11 2HO* U 11 24.283 19.264 -5.263
117 H1* U 11 H1* U 11 23.403 16.125 -6.378
118 H3 U 11 H3 U 11 19.779 14.872 -4.060
119 H5 U 11 H5 U 11 22.732 15.069 -1.058
120 H6 U 11 H6 U 11 24.344 15.664 -2.765
121 1H5* U 12 1H5* U 12 28.284 16.194 -8.606
122 2H5* U 12 2H5* U 12 28.421 16.567 -10.331
123 H4* U 12 H4* U 12 26.956 14.454 -9.059
124 H3* U 12 H3* U 12 28.155 14.923 -11.447
125 1H2* U 12 1H2* U 12 26.578 16.270 -12.444
126 2HO* U 12 2HO* U 12 25.332 15.036 -13.855
127 H1* U 12 H1* U 12 24.234 14.744 -11.373
128 H3 U 12 H3 U 12 21.980 18.025 -13.592
129 H5 U 12 H5 U 12 24.257 20.095 -10.708
130 H6 U 12 H6 U 12 25.359 18.002 -10.169
131 1H5* A 13 1H5* A 13 28.704 9.678 -12.916
132 2H5* A 13 2H5* A 13 27.042 9.212 -13.317
133 H4* A 13 H4* A 13 28.393 9.011 -10.782
134 H3* A 13 H3* A 13 26.395 7.651 -12.065
135 1H2* A 13 1H2* A 13 24.698 9.272 -11.804
136 2HO* A 13 2HO* A 13 23.798 7.487 -10.799
137 H1* A 13 H1* A 13 25.570 9.789 -8.957
138 H8 A 13 H8 A 13 24.415 11.522 -12.249
139 1H6 A 13 1H6 A 13 21.691 15.541 -8.462
140 2H6 A 13 2H6 A 13 21.822 15.017 -10.126
141 H2 A 13 H2 A 13 24.322 12.802 -6.047
142 1H5* C 14 1H5* C 14 29.143 5.736 -9.802
143 2H5* C 14 2H5* C 14 29.233 4.321 -8.745
144 H4* C 14 H4* C 14 30.377 6.423 -7.857
145 H3* C 14 H3* C 14 28.182 4.969 -6.324
146 1H2* C 14 1H2* C 14 28.427 6.483 -4.541
147 2HO* C 14 2HO* C 14 30.219 7.857 -4.347
148 H1* C 14 H1* C 14 28.781 8.778 -6.061
149 1H4 C 14 1H4 C 14 22.237 7.981 -5.860
150 2H4 C 14 2H4 C 14 22.632 8.485 -4.233
151 H5 C 14 H5 C 14 23.926 7.523 -7.558
152 H6 C 14 H6 C 14 26.335 7.237 -7.946
153 1H5* C 15 1H5* C 15 31.811 4.152 -3.747
154 2H5* C 15 2H5* C 15 31.754 2.472 -3.179
155 H4* C 15 H4* C 15 31.777 4.277 -1.352
156 H3* C 15 H3* C 15 29.575 2.178 -1.568
157 1H2* C 15 1H2* C 15 28.581 3.032 0.381
158 2HO* C 15 2HO* C 15 29.655 4.371 1.821
159 H1* C 15 H1* C 15 29.019 5.732 -0.133
160 1H4 C 15 1H4 C 15 23.469 4.088 -3.374
161 2H4 C 15 2H4 C 15 22.960 4.181 -1.702
162 H5 C 15 H5 C 15 25.774 4.255 -4.063
163 H6 C 15 H6 C 15 28.082 4.555 -3.303
164 1H5* U 16 1H5* U 16 30.907 1.936 2.485
165 2H5* U 16 2H5* U 16 30.956 0.262 3.070
166 H4* U 16 H4* U 16 29.409 2.008 4.293
167 H3* U 16 H3* U 16 28.539 -0.781 3.396
168 1H2* U 16 1H2* U 16 26.463 -0.406 4.459
169 2HO* U 16 2HO* U 16 27.524 1.986 5.602
170 H1* U 16 H1* U 16 26.181 2.243 3.667
171 H3 U 16 H3 U 16 22.949 -0.513 1.755
172 H5 U 16 H5 U 16 26.281 -0.633 -0.835
173 H6 U 16 H6 U 16 27.560 0.543 0.850
174 1H5* A 17 1H5* A 17 27.578 -1.157 7.708
175 2H5* A 17 2H5* A 17 27.992 -2.834 8.116
176 H4* A 17 H4* A 17 25.543 -2.187 8.453
177 H3* A 17 H3* A 17 26.331 -4.484 6.626
178 1H2* A 17 1H2* A 17 24.026 -4.950 6.366
179 2HO* A 17 2HO* A 17 23.445 -3.072 8.431
180 H1* A 17 H1* A 17 23.163 -2.322 6.205
181 H8 A 17 H8 A 17 26.274 -2.765 4.101
182 1H6 A 17 1H6 A 17 22.694 -4.962 -0.404
183 2H6 A 17 2H6 A 17 24.301 -4.412 0.015
184 H2 A 17 H2 A 17 20.189 -4.627 3.316
185 1H5* U 18 1H5* U 18 23.808 -6.509 9.222
186 2H5* U 18 2H5* U 18 24.334 -8.191 9.448
187 H4* U 18 H4* U 18 22.138 -7.931 8.200
188 H3* U 18 H3* U 18 24.543 -9.271 6.883
189 1H2* U 18 1H2* U 18 23.216 -9.752 5.003
190 2HO* U 18 2HO* U 18 20.966 -9.642 5.033
191 H1* U 18 H1* U 18 21.804 -7.358 4.947
192 H3 U 18 H3 U 18 24.405 -7.687 1.150
193 H5 U 18 H5 U 18 26.975 -6.176 4.134
194 H6 U 18 H6 U 18 25.234 -6.591 5.767
195 1H5* G 19 1H5* G 19 21.697 -13.500 7.277
196 2H5* G 19 2H5* G 19 23.206 -14.452 7.314
197 H4* G 19 H4* G 19 21.351 -14.921 5.491
198 H3* G 19 H3* G 19 24.317 -14.523 4.862
199 1H2* G 19 1H2* G 19 23.826 -15.108 2.624
200 2HO* G 19 2HO* G 19 22.484 -16.868 2.880
201 H1* G 19 H1* G 19 21.445 -13.690 2.470
202 H8 G 19 H8 G 19 24.188 -11.720 4.227
203 H1 G 19 H1 G 19 24.688 -11.485 -2.126
204 1H2 G 19 1H2 G 19 22.205 -13.934 -2.115
205 2H2 G 19 2H2 G 19 23.270 -12.918 -3.062
206 1H5* C 20 1H5* C 20 23.577 -18.862 3.236
207 2H5* C 20 2H5* C 20 25.178 -19.587 3.487
208 H4* C 20 H4* C 20 24.224 -19.587 1.075
209 H3* C 20 H3* C 20 26.984 -18.437 1.736
210 1H2* C 20 1H2* C 20 27.318 -18.256 -0.605
211 2HO* C 20 2HO* C 20 24.889 -19.692 -1.042
212 H1* C 20 H1* C 20 24.741 -17.372 -1.184
213 1H4 C 20 1H4 C 20 28.367 -12.086 0.571
214 2H4 C 20 2H4 C 20 28.546 -12.223 -1.162
215 H5 C 20 H5 C 20 27.194 -13.717 1.910
216 H6 C 20 H6 C 20 25.947 -15.822 1.871
217 1H5* C 21 1H5* C 21 29.074 -22.561 -0.921
218 2H5* C 21 2H5* C 21 27.502 -21.779 -1.178
219 H4* C 21 H4* C 21 28.522 -21.545 -3.281
220 H3* C 21 H3* C 21 31.111 -21.069 -1.728
221 1H2* C 21 1H2* C 21 31.937 -19.875 -3.589
222 2HO* C 21 2HO* C 21 30.957 -19.970 -5.625
223 H1* C 21 H1* C 21 29.553 -18.579 -4.219
224 1H4 C 21 1H4 C 21 32.614 -15.007 0.477
225 2H4 C 21 2H4 C 21 33.128 -14.328 -1.050
226 H5 C 21 H5 C 21 31.248 -16.991 0.646
227 H6 C 21 H6 C 21 30.086 -18.742 -0.610
228 H3T C 21 H3T C 21 31.823 -22.640 -3.246
No H/Q in entry = 228
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