0 mol 44 unq 0 iso 0 dist 9.16411 14.5415 7.52117 12.5896 9.17518 5.87283 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.16411 14.5415 7.52117 6.50809 8.21833 10.6223 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.78177 18.2661 8.63486 15.7106 8.98797 11.2318 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 7.03635 10.6193 8.63486 6.41609 8.98797 11.2318 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 7.18031 9.20197 12.3813 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 14.3084 7.85041 8.58164 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.16531 10.2104 9.12858 14.3084 7.85041 9.67788 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.16531 12.7325 9.4523 14.3084 7.85041 5.33106 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.98593 10.145 9.81831 12.7552 7.85041 8.58164 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 8.98593 13.574 9.12858 12.7552 7.85041 9.67788 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 8.98593 16.236 9.4523 12.7552 7.85041 5.33106 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.5606 4.77991 6.34525 5.04712 8.06525 5.31367 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 8.64445 6.39981 6.63727 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.05288 7.12332 9.17364 7.90465 6.58434 11.1651 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 9.66132 5.35732 8.77887 5.81835 6.21206 6.47974 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.92844 9.70055 6.60567 7.56699 9.79691 13.6975 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 7.92844 9.9116 7.62942 7.56699 9.79691 6.08211 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 5.6524 5.92474 7.63018 6.06056 6.4829 10.9823 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.96047 7.98893 7.05523 10.6276 7.2498 7.62375 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 5.96047 14.3395 8.46327 10.6276 7.2498 10.7373 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 7.61091 12.5237 7.42587 10.3017 7.35569 5.54394 numMergedOcc 0
21 mol 240 unq 0 iso 0 dist 8.67485 5.36005 9.47583 6.14722 8.33853 10.7371 numMergedOcc 0
22 mol 240 unq 1 iso 0 dist 8.67485 5.36005 9.47583 11.0093 5.66537 13.9225 numMergedOcc 0
23 mol 240 unq 2 iso 0 dist 8.67485 4.4564 8.44909 6.14722 8.33853 7.75407 numMergedOcc 0
24 mol 240 unq 3 iso 0 dist 8.67485 4.4564 8.44909 11.0093 5.66537 12.076 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 9.56438 10.3409 8.29305 6.70116 8.23056 5.3373 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 9.56438 12.3922 6.43341 6.70116 8.23056 7.18967 numMergedOcc 0
