0 mol 78 unq 0 iso 0 dist 7.80757 5.5849 7.19663 5.53214 9.45835 10.3301 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 8.25651 9.51842 10.4087 4.80369 5.25504 11.8494 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.9538 9.36111 5.04987 6.24587 9.35212 13.7328 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 6.23573 9.0339 13.624 4.73274 7.84864 10.31 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 6.23573 8.48641 12.1165 4.73274 7.84864 11.4629 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 9.52671 7.94593 12.5882 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 6.57868 9.50454 7.15963 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 6.96824 9.25528 11.9017 8.05561 8.80581 15.2927 numMergedOcc 0
8 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 6.57868 7.15963 9.50454 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 10.7365 6.20646 15.6372 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 14.1382 6.73266 18.9314 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 6.82185 6.82881 5.45334 7.67515 7.22234 8.48081 numMergedOcc 0
12 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 6.97521 5.86501 10.1705 numMergedOcc 0
13 mol 213 unq 2 iso 0 dist 6.82881 6.82185 5.45334 7.67515 8.48081 7.22234 numMergedOcc 0
14 mol 213 unq 3 iso 0 dist 6.77104 8.10356 11.3915 8.06042 9.1663 15.9376 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.96424 5.40366 6.89336 10.5016 6.93717 12.4259 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.96424 8.93637 13.4403 10.5016 6.93717 18.4056 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 8.0362 8.39522 5.99187 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.82174 8.51359 15.8898 8.0362 8.39522 9.93378 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 9.2521 9.82174 14.0328 8.0362 5.99187 8.39522 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 9.2521 8.51359 6.85126 8.0362 5.99187 9.93378 numMergedOcc 0
21 mol 238 unq 4 iso 0 dist 8.51359 9.82174 15.8898 8.0362 9.93378 8.39522 numMergedOcc 0
22 mol 238 unq 5 iso 0 dist 8.51359 9.2521 6.85126 8.0362 9.93378 5.99187 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 6.15322 6.85589 6.68878 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 7.7309 7.26647 4.63549 6.15322 6.68878 6.85589 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 9.04738 8.68046 9.81725 7.75956 7.06108 10.6628 numMergedOcc 0
26 mol 271 unq 1 iso 0 dist 9.04738 5.98336 10.2122 7.75956 7.06108 12.1673 numMergedOcc 0
27 mol 271 unq 2 iso 0 dist 9.04738 9.67453 16.9733 7.75956 7.06108 14.066 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 5.9433 7.34596 7.12228 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 5.9433 7.12228 7.34596 numMergedOcc 0
