0 mol 17 unq 0 iso 0 dist 6.89863 8.48453 11.074 12.9838 18.8195 9.78331 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.50287 7.51978 11.6633 13.9555 17.1119 7.21717 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 6.17698 7.28711 3.5994 9.98867 9.11762 5.73743 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.81202 5.09688 8.71142 6.29383 15.1918 7.38135 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.27056 9.26343 8.71142 10.728 15.1918 7.38135 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 6.65267 8.38646 13.7859 6.24872 12.3443 7.73435 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 6.65267 8.38646 13.7859 10.4668 16.2115 9.3778 numMergedOcc 0
7 mol 125 unq 2 iso 0 dist 6.55342 8.38646 12.4582 6.24872 9.19255 7.73435 numMergedOcc 0
8 mol 125 unq 3 iso 0 dist 6.55342 8.38646 12.4582 10.4668 11.9962 9.3778 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.43061 9.75558 5.64577 9.62363 6.35397 9.97343 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 4.31989 6.7319 4.76513 8.10288 9.62783 6.6554 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.36589 7.39961 10.803 5.95655 9.74859 6.30021 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 9.36589 7.80643 7.7394 11.7605 14.0422 9.44367 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 9.36589 7.80643 7.7394 5.95655 9.74859 9.47433 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 5.78397 6.64164 5.89138 10.2539 7.93807 9.67741 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 9.87896 6.42827 5.09262 5.74889 9.68308 5.48118 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 6.11495 6.49599 4.53603 10.451 11.226 7.98231 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 6.11495 9.47382 11.2052 10.451 11.226 7.08526 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.39418 7.28096 6.27066 12.4113 8.82948 6.89451 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.39418 7.28096 6.27066 12.4113 8.82948 6.89451 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.39418 7.28096 6.27066 12.4113 8.82948 6.89451 numMergedOcc 0
