0 mol 9 unq 0 iso 0 dist 9.27637 6.11048 6.00657 15.0681 8.55446 14.2464 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.27637 6.11048 6.00657 11.8296 6.59455 11.0886 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.27637 6.11048 6.00657 5.67536 5.71201 6.59312 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 5.11617 4.90592 7.85986 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.93188 8.23075 4.21283 10.8238 8.16324 11.0098 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 4.93188 4.7841 4.97191 5.11617 4.90592 4.30252 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 4.93188 4.7841 4.97191 10.8238 8.16324 12.496 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 10.9837 9.5053 9.11311 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 10.9837 9.5053 15.3903 numMergedOcc 0
9 mol 28 unq 0 iso 0 dist 7.28416 8.95154 6.37119 8.4285 7.40415 5.19518 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.27383 6.79356 6.21346 5.85698 6.62229 6.41008 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 11.165 8.70863 10.3185 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 7.06961 8.43352 13.6994 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.34525 9.93438 13.7162 12.7083 9.35942 19.774 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.99623 7.60162 8.90156 7.45148 9.9151 6.21165 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.93905 6.42623 9.23272 8.2619 6.03352 11.9801 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 8.93905 8.95899 14.3708 8.2619 6.03352 16.1367 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.1439 5.44303 15.122 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 9.29384 8.80895 9.6795 13.7237 8.50562 17.1537 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 10.1386 4.46777 13.7754 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.69515 7.46621 10.7652 7.42649 6.94988 10.4812 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 11.1681 7.25644 13.9156 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 6.20182 7.93088 5.21512 4.20425 7.14263 5.67088 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 6.20182 7.93088 5.21512 6.07158 8.57005 12.4379 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 7.35824 9.19156 14.7729 11.8693 5.89564 19.542 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 7.35824 9.19156 14.7729 6.77832 5.60528 15.721 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 9.17364 9.19156 18.0583 6.77832 5.5995 15.721 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 7.30024 7.46987 8.72743 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 11.6598 5.68348 8.13022 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 14.4523 9.17946 21.128 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 7.84019 8.3087 12.403 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 6.29511 7.84952 5.46009 7.84019 9.32945 12.403 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 7.83711 8.25985 6.20756 4.9377 6.57921 9.78273 numMergedOcc 0
33 mol 232 unq 1 iso 0 dist 7.83711 9.27788 11.7554 4.9377 6.57921 11.9664 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 12.8544 8.61563 18.7778 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.56685 9.83622 8.10746 5.29529 8.2997 9.2199 numMergedOcc 0
