0 mol 36 unq 0 iso 0 dist 7.90158 11.1913 9.96441 4.96139 8.41542 6.66097 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.80117 6.82158 8.25915 9.69698 9.02471 11.2139 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.79386 12.8294 8.25915 5.90113 9.02471 11.2139 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.55023 3.61159 9.7662 12.9158 8.06267 14.4889 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.55023 6.00601 6.7739 12.9158 8.06267 9.51008 numMergedOcc 0
5 mol 68 unq 2 iso 0 dist 4.39888 5.23849 6.7739 6.13436 8.06267 9.51008 numMergedOcc 0
6 mol 68 unq 3 iso 0 dist 4.39888 8.81593 9.7662 6.13436 8.06267 14.4889 numMergedOcc 0
7 mol 68 unq 4 iso 0 dist 5.29595 5.23849 8.3318 6.13436 5.88334 9.51008 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 9.61504 4.44071 9.15163 17.4206 9.62234 15.2881 numMergedOcc 0
9 mol 81 unq 1 iso 0 dist 9.61504 15.4056 9.70125 17.4206 9.62234 4.58101 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.2753 4.47873 9.22903 6.38992 9.01812 7.35568 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 9.5434 14.576 9.49592 5.09542 5.54256 10.2218 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 9.5434 12.6508 5.88034 5.09542 5.54256 8.17186 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.0237 6.70003 9.82654 8.892 8.51123 3.97609 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.12319 8.28869 6.77638 5.25879 8.81797 6.33857 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 8.12319 8.28869 6.77638 5.26656 9.81269 5.72266 numMergedOcc 0
16 mol 130 unq 2 iso 0 dist 8.12319 8.28869 6.77638 10.9365 5.92733 5.15286 numMergedOcc 0
17 mol 130 unq 3 iso 0 dist 9.04366 10.3345 6.77638 10.7254 8.81797 6.33857 numMergedOcc 0
18 mol 130 unq 4 iso 0 dist 9.04366 10.3345 6.77638 14.0585 9.81269 5.72266 numMergedOcc 0
19 mol 130 unq 5 iso 0 dist 9.04366 10.3345 6.77638 5.63567 5.92733 5.15286 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 7.72354 11.1787 9.1526 7.25468 9.84566 9.56234 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.45086 4.32169 8.51947 8.3612 9.65093 5.85613 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 7.31316 14.5547 9.60788 14.1448 9.38984 11.4293 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 7.31316 14.5547 9.60788 12.1716 9.91118 14.5507 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 8.9865 5.25176 9.60788 8.50813 9.38984 11.4293 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 8.9865 5.25176 9.60788 12.6254 9.91118 14.5507 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 8.8788 9.61009 8.27156 6.39215 9.9868 9.0084 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 5.90826 13.5072 9.91332 6.13639 8.94231 15.5022 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 5.90826 13.5072 9.91332 5.59848 8.88652 12.4843 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 5.90826 13.5072 9.91332 7.17967 6.46771 7.22173 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 8.75412 10.1453 9.91332 11.8352 8.94231 15.5022 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 8.75412 10.1453 9.91332 7.31855 8.88652 12.4843 numMergedOcc 0
32 mol 238 unq 5 iso 0 dist 8.75412 10.1453 9.91332 5.91323 6.46771 7.22173 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 9.20256 4.77397 6.63516 14.0672 8.45764 12.8309 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 7.38867 5.56789 6.71152 12.4004 8.55044 9.74925 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 7.7096 5.72619 5.14151 11.263 8.54108 8.31727 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 7.70811 4.74285 8.23254 7.26296 6.09853 4.54581 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 9.98144 6.60935 8.23254 7.64772 6.09853 4.54581 numMergedOcc 0
