0 mol 2 unq 0 iso 0 dist 8.66033 5.62761 6.35342 12.7276 6.3286 11.7849 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 11.9523 6.35342 6.45938 6.3286 11.7849 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.58467 9.95406 7.14934 6.71239 8.51396 6.80907 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.71965 13.9752 9.29873 13.4936 9.7641 3.90287 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.07051 6.27843 6.78459 11.1671 6.03038 6.77491 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 8.07051 6.27843 6.78459 4.37197 9.21675 3.94305 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.7097 9.38119 7.70349 8.73811 7.17412 7.79402 numMergedOcc 0
7 mol 132 unq 1 iso 0 dist 9.7097 9.38119 7.70349 6.86351 5.69956 4.29956 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 5.16184 7.48422 7.86625 7.7168 9.72584 3.8657 numMergedOcc 0
9 mol 182 unq 1 iso 0 dist 8.54162 6.98787 7.86625 10.8463 9.72584 3.8657 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 9.94658 15.6793 8.04591 9.83707 6.39437 7.24051 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.66634 9.90664 9.5331 7.2941 6.04056 5.08061 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 6.66634 9.90664 9.5331 10.0302 5.5343 6.61876 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 6.66634 9.90664 9.5331 13.0055 9.64466 7.92921 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 6.66634 9.90664 9.5331 14.7952 8.8252 11.1502 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.87835 9.55205 9.67457 16.8336 8.78286 17.8124 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 9.54076 18.346 9.67457 9.27683 8.78286 17.8124 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 9.91243 6.79177 9.93257 11.6667 6.16787 7.68225 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.09556 9.96224 9.59213 12.6189 5.8374 9.17045 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 9.40138 8.93697 5.67266 11.3627 8.69145 10.3469 numMergedOcc 0
