0 mol 37 unq 0 iso 0 dist 7.47638 11.746 5.98359 4.87451 6.84257 8.49523 15.2001 9.98549 9.08524 14.1513 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 7.47638 11.746 5.98359 12.8406 9.21102 4.23663 15.2001 9.98549 9.08524 10.9726 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 9.45804 6.10175 4.11549 6.29755 12.1689 6.2425 8.41365 10.352 10.1493 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 4.22514 9.45804 6.10175 8.12687 7.4038 11.8364 6.2425 8.41365 10.352 14.043 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 8.6659 7.05715 8.23566 6.39308 9.39801 12.5118 4.54208 8.86001 5.17028 9.40959 numMergedOcc 0
5 mol 99 unq 1 iso 0 dist 8.6659 7.05715 8.23566 6.04335 4.82346 4.74328 4.54208 8.86001 5.17028 6.83905 numMergedOcc 0
6 mol 99 unq 2 iso 0 dist 8.6659 7.05715 8.23566 6.13115 8.89165 6.55763 4.54208 8.86001 5.17028 8.5835 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 5.36878 4.94012 9.87685 7.72197 9.96269 8.60755 4.39332 6.13301 7.60038 4.27067 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.56066 13.1203 8.592 12.0473 8.75093 5.53478 7.99224 8.90311 14.8365 16.5867 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 8.6371 4.56374 9.74209 4.46614 6.55217 4.8476 11.324 6.29125 14.3113 10.9472 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 8.6371 4.56374 9.74209 4.74205 7.21686 8.53976 11.324 6.29125 14.3113 8.08387 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.45309 7.53305 5.13722 4.62365 8.49577 8.78766 9.12667 7.95111 11.1645 5.81835 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 7.13192 6.05626 9.16852 3.79373 7.71716 3.53549 9.03624 9.42057 14.5828 11.453 numMergedOcc 0
13 mol 203 unq 0 iso 0 dist 9.5818 9.75724 6.8395 4.90371 7.72498 5.52709 7.41365 9.47629 5.26458 5.30867 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.85256 7.07676 8.78008 4.72952 7.80073 8.20191 6.19462 9.10967 5.28695 4.81796 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 7.96325 9.47962 8.34471 14.2761 9.53832 8.44005 10.6494 9.11168 10.1271 7.16525 numMergedOcc 0
