0 mol 0 unq 0 iso 0 dist 8.82108 8.90148 6.49002 8.82652 5.22416 9.94405 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.90148 8.82108 6.49002 8.82652 9.94405 5.22416 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 9.12796 6.1462 4.09396 9.56016 6.51566 8.56432 numMergedOcc 0
3 mol 6 unq 0 iso 1 dist 6.1462 9.12796 4.09396 9.56016 8.56432 6.51566 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.50179 6.72231 7.62467 7.63222 6.55764 3.5175 numMergedOcc 0
5 mol 21 unq 0 iso 1 dist 6.72231 9.50179 7.62467 7.63222 3.5175 6.55764 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 7.55357 5.86972 9.56267 7.17698 5.73081 5.31226 numMergedOcc 0
7 mol 38 unq 0 iso 1 dist 5.86972 7.55357 9.56267 7.17698 5.31226 5.73081 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 7.55357 5.86972 9.56267 4.74069 6.66655 4.57886 numMergedOcc 0
9 mol 38 unq 1 iso 1 dist 5.86972 7.55357 9.56267 4.74069 4.57886 6.66655 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.36915 6.01454 8.29103 6.68961 10.9119 6.1565 numMergedOcc 0
11 mol 48 unq 0 iso 1 dist 6.01454 8.36915 8.29103 6.68961 6.1565 10.9119 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.12189 7.50126 11.0817 5.9959 6.95933 5.30466 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 7.50126 5.12189 11.0817 5.9959 5.30466 6.95933 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 5.20195 4.77133 4.56331 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 5.33543 7.85526 5.63574 5.20195 4.56331 4.77133 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 5.36826 8.50225 4.69216 5.50187 6.11221 8.01939 numMergedOcc 0
17 mol 146 unq 0 iso 1 dist 8.50225 5.36826 4.69216 5.50187 8.01939 6.11221 numMergedOcc 0
18 mol 199 unq 0 iso 0 dist 9.88917 9.56785 10.3162 9.57414 4.95497 8.54449 numMergedOcc 0
19 mol 199 unq 0 iso 1 dist 9.56785 9.88917 10.3162 9.57414 8.54449 4.95497 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 7.5808 11.3121 13.5418 numMergedOcc 0
21 mol 223 unq 0 iso 1 dist 9.14789 9.29204 4.44825 7.5808 13.5418 11.3121 numMergedOcc 0
22 mol 223 unq 1 iso 0 dist 9.29204 7.80764 16.0208 7.5808 11.3121 7.74459 numMergedOcc 0
23 mol 223 unq 1 iso 1 dist 7.80764 9.29204 16.0208 7.5808 7.74459 11.3121 numMergedOcc 0
24 mol 223 unq 2 iso 0 dist 9.29204 5.75896 11.898 7.5808 11.3121 4.53638 numMergedOcc 0
25 mol 223 unq 2 iso 1 dist 5.75896 9.29204 11.898 7.5808 4.53638 11.3121 numMergedOcc 0
26 mol 223 unq 1 iso 0 dist 9.14789 7.80764 16.2327 7.5808 13.5418 7.74459 numMergedOcc 0
27 mol 223 unq 1 iso 1 dist 7.80764 9.14789 16.2327 7.5808 7.74459 13.5418 numMergedOcc 0
28 mol 223 unq 2 iso 0 dist 9.14789 5.75896 13.5741 7.5808 13.5418 4.53638 numMergedOcc 0
29 mol 223 unq 2 iso 1 dist 5.75896 9.14789 13.5741 7.5808 4.53638 13.5418 numMergedOcc 0
30 mol 223 unq 2 iso 0 dist 7.80764 5.75896 7.12929 7.5808 7.74459 4.53638 numMergedOcc 0
31 mol 223 unq 2 iso 1 dist 5.75896 7.80764 7.12929 7.5808 4.53638 7.74459 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 5.36326 3.56689 11.4272 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 9.08719 6.6537 11.6002 5.36326 11.4272 3.56689 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 9.09835 7.21466 5.24285 5.99355 14.486 11.8914 numMergedOcc 0
35 mol 239 unq 0 iso 1 dist 7.21466 9.09835 5.24285 5.99355 11.8914 14.486 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 9.6327 6.49094 8.08023 numMergedOcc 0
37 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 9.6327 8.08023 6.49094 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.91916 4.55368 4.70261 8.40328 10.2743 7.06301 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 4.55368 8.91916 4.70261 8.40328 7.06301 10.2743 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.91916 4.55368 4.70261 8.2518 11.46 7.80863 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 4.55368 8.91916 4.70261 8.2518 7.80863 11.46 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 8.61786 8.42706 11.4983 8.62843 11.9611 11.8531 numMergedOcc 0
43 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 8.62843 11.8531 11.9611 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 9.63694 6.58277 15.3443 8.95841 6.96111 11.8531 numMergedOcc 0
45 mol 266 unq 1 iso 1 dist 6.58277 9.63694 15.3443 8.95841 11.8531 6.96111 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 8.3815 7.13925 11.1685 9.19367 8.97643 11.6244 numMergedOcc 0
47 mol 283 unq 0 iso 1 dist 7.13925 8.3815 11.1685 9.19367 11.6244 8.97643 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 9.1882 8.60951 7.36026 8.82415 5.83829 9.77424 numMergedOcc 0
49 mol 284 unq 0 iso 1 dist 8.60951 9.1882 7.36026 8.82415 9.77424 5.83829 numMergedOcc 0
