0 mol 9 unq 0 iso 0 dist 5.87266 5.41626 7.05346 11.2374 8.88528 7.32257 11.607 8.076 8.50424 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.60462 7.06965 7.05346 10.5597 8.88528 7.32257 5.94302 8.076 8.50424 7.35972 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.36946 10.172 7.9944 12.5274 4.58685 6.55811 6.78554 6.32226 6.02809 7.35972 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.36946 10.172 7.9944 12.4763 5.83039 7.36018 6.78554 6.32226 6.02809 9.93542 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 9.36946 5.4068 7.032 12.5274 4.58685 8.64915 6.78554 6.32226 4.98827 7.35972 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 9.36946 5.4068 7.032 12.4763 5.83039 8.17347 6.78554 6.32226 4.98827 9.93542 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 20.0127 13.9675 7.75618 10.1168 6.39966 4.97119 9.95212 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 16.7308 11.9395 9.41441 12.1924 9.69752 4.32034 8.00171 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 16.7308 11.9395 9.41441 21.194 16.6617 12.2662 5.95834 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 5.78238 9.59761 6.60423 16.7308 11.9395 9.41441 17.5266 12.7806 8.67951 4.2121 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 5.78238 9.59761 6.60423 16.7308 11.9395 9.41441 14.9821 9.36461 8.52463 6.72323 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 8.6578 6.07691 7.52117 7.42925 5.1728 9.6782 6.30672 7.03307 4.55437 7.48846 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 8.86912 7.46358 5.38091 12.2197 12.4049 7.30357 10.2977 7.46845 5.81563 8.21184 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 8.86912 7.46358 5.38091 12.2197 12.4049 7.30357 8.6635 9.59889 5.52796 5.41575 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 8.86912 7.46358 5.38091 14.829 11.7015 8.61587 10.2977 7.46845 5.81563 5.9976 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 8.86912 7.46358 5.38091 14.829 11.7015 8.61587 8.6635 9.59889 5.52796 6.86566 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 7.34321 6.71523 8.00506 9.25835 4.56165 6.45896 8.75377 10.5082 4.38317 9.7361 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 12.9816 6.29877 5.93786 16.1891 10.352 5.48551 7.22518 numMergedOcc 0
18 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 12.9816 6.29877 5.93786 17.7994 11.4752 7.9651 5.25109 numMergedOcc 0
19 mol 171 unq 2 iso 0 dist 7.11599 12.3586 7.71426 12.9808 5.90358 8.1344 16.1891 10.352 5.48551 7.58499 numMergedOcc 0
20 mol 171 unq 3 iso 0 dist 7.11599 12.3586 7.71426 12.9808 5.90358 8.1344 17.7994 11.4752 7.9651 8.21618 numMergedOcc 0
21 mol 171 unq 4 iso 0 dist 7.11599 9.45239 5.10618 12.9816 6.29877 8.24693 16.1891 10.352 8.05069 7.22518 numMergedOcc 0
22 mol 171 unq 5 iso 0 dist 7.11599 9.45239 5.10618 12.9816 6.29877 8.24693 17.7994 11.4752 12.6853 5.25109 numMergedOcc 0
23 mol 171 unq 6 iso 0 dist 7.11599 9.45239 5.10618 12.9808 5.90358 6.71356 16.1891 10.352 8.05069 7.58499 numMergedOcc 0
24 mol 171 unq 7 iso 0 dist 7.11599 9.45239 5.10618 12.9808 5.90358 6.71356 17.7994 11.4752 12.6853 8.21618 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 10.6315 5.92931 8.65535 13.9769 5.68348 11.6598 6.1886 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 9.13708 16.5287 8.83356 12.6412 7.50057 6.72379 13.9769 5.68348 7.11753 6.38324 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 13.5442 13.8622 9.05071 5.39184 6.57921 4.9377 9.8664 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.22411 10.6339 6.39158 13.6439 7.85398 6.36341 15.7764 11.4177 5.5163 6.94789 numMergedOcc 0
