0 mol 5 unq 0 iso 0 dist 7.15734 10.5844 8.19185 11.5084 4.8206 7.88567 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.1686 7.28753 6.68744 15.4304 8.65597 8.98746 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.99402 4.84364 6.68744 10.1107 8.65597 8.98746 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 7.3489 11.1641 6.68744 12.2988 8.65597 8.98746 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 8.47497 8.02028 9.96441 14.4976 11.1913 7.90158 numMergedOcc 0
5 mol 36 unq 1 iso 0 dist 5.83354 6.03866 8.97567 9.14828 7.22428 7.00857 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.25984 5.71377 8.25915 11.6914 6.82158 7.80117 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.25984 5.71377 8.25915 14.1072 12.8294 9.79386 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 6.04551 15.0431 9.54119 11.0152 6.21973 7.05964 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 6.04551 15.0431 9.54119 23.0373 17.4974 9.90758 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 6.01454 15.1442 9.77004 20.0011 14.0438 7.32699 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 6.01454 15.1442 9.77004 16.6074 10.6879 6.45933 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 9.32972 5.74636 9.7662 10.946 3.61159 9.55023 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 9.32972 5.74636 9.7662 9.31455 8.81593 4.39888 numMergedOcc 0
14 mol 68 unq 2 iso 0 dist 7.19203 6.31365 6.7739 12.7184 6.00601 9.55023 numMergedOcc 0
15 mol 68 unq 3 iso 0 dist 7.19203 6.31365 6.7739 7.41911 5.23849 4.39888 numMergedOcc 0
16 mol 68 unq 4 iso 0 dist 7.19203 5.08329 8.3318 7.41911 5.23849 5.29595 numMergedOcc 0
17 mol 68 unq 5 iso 0 dist 8.8095 5.74636 6.7739 10.946 6.00601 9.55023 numMergedOcc 0
18 mol 68 unq 6 iso 0 dist 8.8095 5.74636 6.7739 9.31455 5.23849 4.39888 numMergedOcc 0
19 mol 68 unq 7 iso 0 dist 8.8095 8.30034 8.3318 9.31455 5.23849 5.29595 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 8.63522 6.04036 9.49592 11.8703 14.576 9.5434 numMergedOcc 0
21 mol 102 unq 1 iso 0 dist 5.43401 6.04036 5.88034 11.8703 12.6508 9.5434 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.56593 5.93647 5.18805 10.1869 8.28737 7.74168 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 8.56593 8.51016 7.11158 10.1869 8.28737 8.16507 numMergedOcc 0
24 mol 165 unq 0 iso 0 dist 8.2197 6.22764 4.63353 10.56 6.28125 7.55302 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.33462 7.54878 9.91332 12.6603 13.5072 5.90826 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.33462 7.54878 9.91332 11.0072 10.1453 8.75412 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 6.18866 10.441 9.38713 9.39819 7.82195 5.7671 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 8.14494 6.79594 9.08396 7.76689 7.93109 9.33041 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.84011 8.19595 9.14721 11.0839 4.49194 6.69403 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 9.84011 7.37483 7.15322 11.0839 4.49194 5.76694 numMergedOcc 0
31 mol 283 unq 2 iso 0 dist 7.88405 5.01922 8.91437 9.0626 5.2842 9.33601 numMergedOcc 0
