0 mol 0 unq 0 iso 0 dist 9.6994 6.26831 6.34883 5.24778 11.2072 6.64713 10.7845 14.597 8.39054 9.38507 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 6.26831 9.19662 5.24778 11.2263 6.64713 10.7845 16.4933 8.39054 9.38507 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 16.3188 13.7992 15.6099 7.85986 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 12.0986 8.92779 12.5557 4.30252 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 16.3188 13.2846 15.6099 7.85986 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 12.0986 12.3897 12.5557 4.30252 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 8.23075 6.7846 4.21283 7.85986 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 4.7841 8.03955 4.97191 4.30252 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 10.551 6.7846 4.21283 7.85986 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 14.1707 8.03955 4.97191 4.30252 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.9837 18.1487 9.5053 7.98005 12.5438 12.4814 9.11311 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.0962 11.8747 6.99108 10.3805 7.21504 3.91174 9.09425 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 6.79356 5.87468 6.21346 6.41008 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 15.4008 11.9949 14.1233 8.04853 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 12.1279 13.3089 14.3481 6.46549 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 18.405 16.5853 14.1233 8.04853 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 14.7287 16.2205 14.3481 6.46549 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 15.4008 16.5853 14.1233 8.04853 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 12.1279 16.2205 14.3481 6.46549 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 12.0878 10.3933 11.1054 8.98175 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 10.3369 11.8327 8.92828 18.6796 18.9041 16.0667 8.47526 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 7.12972 8.71039 5.89022 7.92788 11.8327 8.92828 15.2551 18.9041 16.0667 8.47526 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 7.92788 11.8327 5.44303 15.2551 18.9041 9.93041 8.47526 numMergedOcc 0
23 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 13.1439 11.8327 5.44303 18.8134 18.9041 9.93041 8.47526 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 11.6919 16.2017 7.46987 17.3863 18.5746 9.28201 8.72743 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 13.0658 9.53629 9.17946 17.68 12.4332 11.5523 6.81516 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 6.03031 8.44861 5.28092 13.0658 9.53629 9.17946 11.5794 6.49049 10.2944 9.17562 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 7.26832 5.60393 5.28092 14.4523 9.53629 9.17946 16.9049 12.4332 11.5523 6.81516 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 7.26832 5.60393 5.28092 14.4523 9.53629 9.17946 13.4668 6.49049 10.2944 9.17562 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 10.2446 6.70898 3.98816 9.30639 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 12.1951 9.8062 8.88664 10.2446 6.70898 3.98816 6.24462 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 11.6161 10.6381 7.16819 10.2446 6.70898 3.98816 6.02034 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 8.25985 4.04428 6.20756 9.78273 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 9.02271 7.77998 13.6942 5.78064 13.07 8.15091 11.2301 12.7368 8.4971 9.82605 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 9.02271 7.77998 13.6942 5.78064 13.07 8.15091 9.7691 12.9854 4.30218 9.73723 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 11.8311 12.5154 13.6012 8.09181 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 11.8311 14.1901 13.6012 8.09181 numMergedOcc 0
