0 mol 8 unq 0 iso 0 dist 8.68949 9.31461 3.84732 6.88402 8.70858 10.0164 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 5.52834 7.53194 4.62559 6.79455 6.51963 9.28732 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.64686 6.65972 4.13187 15.6024 9.74201 13.7564 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.64686 6.65972 4.13187 13.7118 8.17967 9.11491 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 8.64686 4.2253 9.13196 15.6024 9.74201 17.8419 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 8.64686 4.2253 9.13196 13.7118 8.17967 12.3393 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.06641 8.63446 6.65219 4.46847 8.95044 11.0483 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 6.61973 9.12145 8.63935 10.3223 9.49798 16.7093 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 6.61973 9.12145 8.63935 12.8624 8.31955 16.3887 numMergedOcc 0
9 mol 116 unq 2 iso 0 dist 6.61973 8.11048 4.10222 10.3223 9.49798 13.3505 numMergedOcc 0
10 mol 116 unq 3 iso 0 dist 6.61973 8.11048 4.10222 12.8624 8.31955 11.6657 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.79195 9.35049 4.63862 7.50288 8.03691 12.0673 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.72718 9.12589 9.57585 9.77203 7.46024 14.5433 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 5.61326 9.16422 8.51428 7.60926 9.40031 13.1832 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.20044 8.77524 6.42785 5.64245 6.35305 4.51124 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.41232 8.77524 7.66776 5.64245 9.23348 4.51124 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 9.24729 8.01593 3.86973 10.2514 7.08409 9.53034 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.86185 7.24545 13.8399 7.57139 6.98781 14.6444 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.53369 9.48672 9.41237 4.92263 9.31129 14.1783 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 8.57274 9.48672 13.3588 4.92263 9.77741 14.1783 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.62494 6.48382 4.39553 12.9391 9.85022 9.6721 numMergedOcc 0
