0 mol 13 unq 0 iso 0 dist 8.37063 6.39939 5.99004 6.80844 11.1689 9.65051 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.80844 6.39939 9.65051 8.37063 11.1689 5.99004 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 4.71264 6.67704 4.09276 5.43691 6.67079 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 4.09276 4.71264 6.67079 7.6082 5.43691 6.67704 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 9.24687 8.5755 6.67704 12.344 5.43691 6.67079 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 8.46495 11.3868 5.65212 18.1033 12.3527 9.48373 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.40355 5.53482 4.73362 12.2212 8.15383 7.3795 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 9.25466 13.2865 8.9536 13.2176 5.82135 9.87414 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.04448 17.0849 9.40173 12.2487 5.4823 6.04768 numMergedOcc 0
9 mol 145 unq 0 iso 0 dist 6.87753 4.17909 9.82695 9.03586 6.25649 9.73998 numMergedOcc 0
10 mol 145 unq 1 iso 0 dist 9.03586 4.17909 9.73998 6.87753 6.25649 9.82695 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.13184 6.11369 8.32841 7.27593 11.1396 6.56065 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 7.27593 6.11369 6.56065 9.13184 11.1396 8.32841 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 7.55408 12.6211 8.94849 13.8127 9.003 8.7695 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 7.18997 6.26644 8.7695 12.923 9.003 8.94849 numMergedOcc 0
15 mol 185 unq 2 iso 0 dist 8.38127 5.9439 8.94849 13.1417 9.003 8.7695 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 7.30582 10.7816 9.14228 18.2998 14.1116 9.04127 numMergedOcc 0
17 mol 241 unq 1 iso 0 dist 9.69499 14.8485 9.04127 17.8727 14.1116 9.14228 numMergedOcc 0
18 mol 241 unq 2 iso 0 dist 7.44279 9.73806 9.04127 13.4186 14.1116 9.14228 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.16789 9.01951 5.60146 12.0298 11.0309 9.80249 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 8.19381 4.38246 5.60146 7.35657 11.0309 9.80249 numMergedOcc 0
21 mol 244 unq 2 iso 0 dist 7.35657 4.38246 9.80249 8.19381 11.0309 5.60146 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.8643 12.9629 5.21664 15.7634 10.7055 8.6522 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 8.8643 12.9629 5.21664 14.3216 7.32436 7.31529 numMergedOcc 0
24 mol 279 unq 2 iso 0 dist 9.24895 15.0891 8.6522 12.3747 6.55493 7.31529 numMergedOcc 0
25 mol 279 unq 3 iso 0 dist 9.24895 15.0891 8.6522 14.2182 10.7055 5.21664 numMergedOcc 0
26 mol 279 unq 4 iso 0 dist 8.34154 4.01471 8.6522 9.07176 6.55493 7.31529 numMergedOcc 0
27 mol 279 unq 5 iso 0 dist 8.34154 4.01471 8.6522 5.90456 10.7055 5.21664 numMergedOcc 0
28 mol 279 unq 6 iso 0 dist 9.07176 4.01471 7.31529 8.34154 6.55493 8.6522 numMergedOcc 0
29 mol 279 unq 7 iso 0 dist 9.07176 4.01471 7.31529 5.90456 7.32436 5.21664 numMergedOcc 0
30 mol 279 unq 8 iso 0 dist 5.90456 4.01471 5.21664 8.34154 10.7055 8.6522 numMergedOcc 0
31 mol 279 unq 9 iso 0 dist 5.90456 4.01471 5.21664 9.07176 7.32436 7.31529 numMergedOcc 0
