0 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 10.5096 10.4221 8.16246 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 4.22514 8.12687 7.4038 10.5096 10.4221 9.48823 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 8.6659 6.04335 4.82346 12.4775 8.61334 8.68674 numMergedOcc 0
3 mol 99 unq 1 iso 0 dist 8.4731 6.04335 8.07233 12.4775 12.2155 8.68674 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.37345 10.1051 8.88401 14.3497 10.503 6.79959 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.55581 6.14253 5.92836 13.8059 7.82218 8.8353 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 8.6371 4.46614 6.55217 12.9378 5.90456 9.13339 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 8.6371 4.46614 6.55217 8.72216 5.00766 7.60956 numMergedOcc 0
8 mol 140 unq 2 iso 0 dist 8.6371 4.74205 7.21686 8.72216 5.00766 9.9171 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 6.62466 7.20315 7.8052 11.9061 7.00425 9.8755 numMergedOcc 0
10 mol 165 unq 1 iso 0 dist 6.62466 7.20315 7.8052 8.19939 6.27901 7.21397 numMergedOcc 0
11 mol 165 unq 2 iso 0 dist 6.62466 7.20315 7.8052 13.5707 9.20479 8.46714 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.01462 9.45299 9.56869 11.7697 5.38744 8.16228 numMergedOcc 0
13 mol 174 unq 1 iso 0 dist 8.01462 5.34155 7.37131 11.7697 5.38744 8.57467 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.69083 6.60289 9.42877 9.79447 6.40216 6.28935 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.85256 4.72952 7.80073 10.4134 10.1043 8.86185 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 6.23348 6.0731 5.70674 9.23283 6.13333 3.67935 numMergedOcc 0
17 mol 255 unq 0 iso 0 dist 8.17286 4.52659 7.16286 5.84157 12.1115 7.57779 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 7.11605 7.87626 6.38295 7.60676 5.846 4.45141 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.72085 5.05806 9.84741 9.04355 7.43524 6.96774 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.01428 14.4188 9.30394 18.3585 11.7624 5.15923 numMergedOcc 0
21 mol 287 unq 2 iso 0 dist 8.01428 10.5276 8.5458 17.6062 14.0575 7.14859 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.72085 5.05806 9.84741 9.04355 7.43524 6.96774 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 8.01428 14.4188 9.30394 18.3585 11.7624 5.15923 numMergedOcc 0
24 mol 288 unq 2 iso 0 dist 8.01428 10.5276 8.5458 17.6062 14.0575 7.14859 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 8.72085 5.05806 9.84741 9.04355 7.43524 6.96774 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 8.01428 14.4188 9.30394 18.3585 11.7624 5.15923 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 8.01428 10.5276 8.5458 17.6062 14.0575 7.14859 numMergedOcc 0
