0 mol 0 unq 0 iso 0 dist 6.80636 9.15248 8.31596 13.3036 11.6716 5.75315 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 10.3034 6.3267 11.8368 6.78129 5.75315 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 5.8245 3.91075 9.71516 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 5.8245 3.91075 9.81658 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 13.8141 6.49199 9.65897 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 8.68559 6.68431 7.48825 7.26268 5.57199 8.74576 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 13.6385 11.9463 5.81001 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 12.457 11.9463 5.81001 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 10.7109 11.9463 5.81001 numMergedOcc 0
9 mol 45 unq 3 iso 0 dist 6.99408 7.39653 8.13782 5.94756 4.51883 5.81001 numMergedOcc 0
10 mol 45 unq 4 iso 0 dist 9.3403 10.6095 8.13782 10.7728 4.51883 5.81001 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 9.97819 10.7257 7.60018 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.40841 4.55117 8.80108 8.69057 11.0945 7.03126 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 7.58407 14.7581 8.80108 18.2125 10.7257 7.60018 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 7.58407 14.7581 8.80108 18.0198 11.0945 7.03126 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 6.31428 10.3782 8.80108 14.4477 10.7257 7.60018 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 6.31428 10.3782 8.80108 13.1897 11.0945 7.03126 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 9.74228 9.88768 9.14817 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 8.624 6.00418 9.19459 10.7906 12.9007 9.76686 numMergedOcc 0
19 mol 72 unq 2 iso 0 dist 8.624 6.00418 9.19459 12.952 12.9235 9.437 numMergedOcc 0
20 mol 72 unq 3 iso 0 dist 6.77912 9.0131 9.19459 7.12321 9.88768 9.14817 numMergedOcc 0
21 mol 72 unq 4 iso 0 dist 6.77912 9.0131 9.19459 9.35457 12.9007 9.76686 numMergedOcc 0
22 mol 72 unq 5 iso 0 dist 6.77912 9.0131 9.19459 12.1131 12.9235 9.437 numMergedOcc 0
23 mol 72 unq 6 iso 0 dist 7.321 7.11552 9.19459 10.7102 5.11318 9.37102 numMergedOcc 0
24 mol 72 unq 7 iso 0 dist 7.321 7.11552 9.19459 9.55118 6.74416 5.4605 numMergedOcc 0
25 mol 72 unq 8 iso 0 dist 7.321 7.11552 9.19459 12.111 10.7904 6.53824 numMergedOcc 0
26 mol 72 unq 9 iso 0 dist 7.321 7.17489 8.59747 10.7102 5.11318 7.93683 numMergedOcc 0
27 mol 72 unq 10 iso 0 dist 7.321 7.17489 8.59747 9.55118 6.74416 6.7272 numMergedOcc 0
28 mol 72 unq 11 iso 0 dist 7.321 7.17489 8.59747 9.10345 5.63793 7.64009 numMergedOcc 0
29 mol 88 unq 0 iso 0 dist 8.66514 5.90098 7.71582 10.2942 6.67934 5.28732 numMergedOcc 0
30 mol 88 unq 1 iso 0 dist 9.25235 5.90098 6.65776 10.2942 4.39545 5.28732 numMergedOcc 0
31 mol 114 unq 0 iso 0 dist 6.73814 6.95201 8.39249 5.7144 4.81369 5.51885 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 6.24825 5.78043 7.65255 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 7.64585 10.7942 6.40036 6.39384 5.65471 8.0168 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 8.94837 5.9915 6.4218 9.00918 5.58312 5.73203 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 8.94837 5.9915 6.4218 7.99477 9.61537 6.57379 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 7.77454 10.7186 6.4218 11.0651 5.58312 5.73203 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 7.77454 10.7186 6.4218 12.782 9.61537 6.57379 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 9.86313 13.5062 7.37901 12.9034 4.48516 5.36254 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 7.51198 8.27726 7.37901 8.97626 4.48516 5.36254 numMergedOcc 0
40 mol 175 unq 0 iso 0 dist 9.8589 11.0415 4.79852 13.6764 9.433 9.76114 numMergedOcc 0
41 mol 175 unq 1 iso 0 dist 7.24908 5.0384 4.79852 10.1305 9.433 9.76114 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 12.3088 7.09198 5.461 numMergedOcc 0
43 mol 218 unq 0 iso 0 dist 8.53199 7.47048 6.75035 9.24601 10.1772 8.61306 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 8.1945 3.92979 8.91356 numMergedOcc 0
45 mol 225 unq 1 iso 0 dist 5.50387 10.7506 8.75834 14.181 9.35263 9.57455 numMergedOcc 0
46 mol 225 unq 2 iso 0 dist 5.50387 7.12954 9.36396 8.1945 3.92979 9.59574 numMergedOcc 0
47 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 7.81215 11.8229 9.11572 numMergedOcc 0
48 mol 234 unq 1 iso 0 dist 9.5707 12.1076 9.6101 7.81215 11.8229 7.20293 numMergedOcc 0
49 mol 234 unq 2 iso 0 dist 6.16063 5.9221 8.49841 8.84746 6.00588 8.27411 numMergedOcc 0
50 mol 234 unq 3 iso 0 dist 6.16063 5.9221 8.49841 11.1846 14.8966 6.96257 numMergedOcc 0
51 mol 234 unq 4 iso 0 dist 9.39181 6.29366 5.32183 5.64285 6.45373 7.20293 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 8.96531 4.65297 6.65088 14.1555 13.037 9.84652 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 7.02475 8.82861 6.65088 9.12776 13.037 9.84652 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 7.67322 8.82861 6.5772 9.12776 9.75095 9.84652 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 9.90142 15.7973 8.70193 14.4013 11.7709 9.84652 numMergedOcc 0
56 mol 238 unq 4 iso 0 dist 5.9216 10.438 8.70193 11.1002 11.7709 9.84652 numMergedOcc 0
57 mol 238 unq 5 iso 0 dist 7.49471 12.1252 6.17025 8.69015 6.12722 9.84652 numMergedOcc 0
58 mol 238 unq 6 iso 0 dist 7.19008 8.82861 6.17025 9.12776 6.12722 9.84652 numMergedOcc 0
59 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 10.6962 10.106 9.33476 numMergedOcc 0
60 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 16.3194 10.7047 9.04189 numMergedOcc 0
61 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 15.074 7.66392 9.51462 numMergedOcc 0
62 mol 270 unq 2 iso 0 dist 8.25349 10.4895 8.39167 11.6697 4.66212 8.12971 numMergedOcc 0
63 mol 272 unq 0 iso 0 dist 7.67853 5.7074 6.75716 11.5372 9.96809 9.19905 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 6.50589 5.31116 8.49866 6.4611 5.70568 6.66172 numMergedOcc 0
