0 mol 2 unq 0 iso 0 dist 9.73168 13.0312 9.97181 17.9288 11.5353 6.15195 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.52017 4.45291 6.95457 11.086 5.22412 8.25984 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 8.69477 4.64154 8.75732 4.96341 6.45116 7.95419 numMergedOcc 0
3 mol 51 unq 1 iso 0 dist 8.59604 4.64154 6.01366 4.96341 8.65732 7.95419 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.76814 14.7574 9.21675 18.3445 9.53861 7.11187 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.76814 14.7574 9.21675 15.8165 10.0584 6.60356 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.61323 11.3093 7.33646 15.2576 5.82731 8.48435 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 8.96089 9.98904 7.17412 5.52837 4.6147 8.15549 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 8.34886 11.7742 8.78286 15.0429 10.6912 6.24111 numMergedOcc 0
9 mol 210 unq 1 iso 0 dist 8.34886 11.7742 8.78286 18.0534 15.1716 9.00343 numMergedOcc 0
10 mol 210 unq 2 iso 0 dist 8.34886 11.7742 8.78286 17.3105 11.533 6.41444 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.95282 10.0214 5.10016 11.9961 13.2303 9.81136 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 6.59468 4.80435 9.27398 5.51354 8.50846 9.86417 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.39796 8.26463 5.05353 12.0733 8.34455 9.17355 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.39796 8.26463 5.05353 13.4572 6.08894 8.5434 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.13651 7.76381 9.75866 11.9821 11.3958 6.51449 numMergedOcc 0
16 mol 257 unq 1 iso 0 dist 7.70445 6.91217 9.75866 12.4705 11.3958 6.51449 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.42773 4.98212 7.94491 13.585 13.1019 8.73077 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 8.42773 4.98212 7.94491 10.549 12.1307 6.76656 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 7.64813 8.52263 9.17214 12.7072 8.93055 6.41477 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.27648 6.30922 9.55134 9.13318 8.71561 6.7897 numMergedOcc 0
