0 mol 7 unq 0 iso 0 dist 8.88982 9.49401 6.34041 13.9585 7.10621 12.9581 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.72522 9.56646 11.4502 16.5569 8.57077 17.2374 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 10.5449 6.86014 9.41441 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.99509 9.9451 10.7805 8.14351 5.73819 14.0799 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.47617 9.9451 13.5667 15.1595 8.80331 21.0357 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.47617 9.9451 13.5667 8.14351 6.20293 14.0799 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 5.73331 9.9451 7.42491 8.14351 8.93915 14.0799 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.13476 6.54052 4.29856 13.1047 9.5589 10.6808 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.13476 6.54052 4.29856 10.0565 6.83299 6.14538 numMergedOcc 0
9 mol 54 unq 2 iso 0 dist 6.13476 6.54052 4.29856 5.77448 8.10861 10.4158 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.22628 9.19273 6.40494 10.0419 9.33865 12.125 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.22628 9.19273 6.40494 6.8104 6.11741 12.2743 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.94863 8.19294 7.11959 7.58865 9.28393 13.5511 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.94909 9.68996 17.3514 8.76089 7.11802 13.416 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.94909 9.68996 17.3514 6.80087 8.00618 11.8524 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.50454 5.87853 6.29863 11.755 7.63312 11.9764 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.15963 5.87853 5.6044 14.1493 9.1374 14.2254 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.15963 5.87853 5.6044 6.73556 5.98885 9.72611 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 7.15963 5.87853 5.6044 5.49666 9.15386 10.428 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 6.43406 9.0234 7.77758 10.9813 7.81386 5.94469 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.73266 9.639 5.86489 5.57112 7.10633 11.5776 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 6.73266 9.639 5.86489 12.1292 8.51516 7.32294 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 4.91961 9.33455 10.0059 11.5103 9.45496 17.6227 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 4.91961 9.33455 10.0059 4.98993 6.7625 12.6238 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.99137 7.87572 13.1168 13.7629 9.81562 19.6441 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 5.99137 7.87572 13.1168 13.3575 7.68742 20.1345 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 5.99137 7.87572 13.1168 5.03598 6.27581 9.89 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 6.92721 9.26512 11.169 9.00069 6.16342 11.308 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 6.92721 9.2495 9.59042 9.00069 6.16342 11.5039 numMergedOcc 0
29 mol 239 unq 2 iso 0 dist 6.92721 5.82804 5.88931 9.00069 6.16342 10.3435 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 6.85589 9.9247 7.86966 5.85483 7.73141 10.3119 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 6.85589 9.9247 7.86966 4.31412 8.43057 11.0912 numMergedOcc 0
32 mol 261 unq 2 iso 0 dist 6.68878 9.9247 6.65675 4.31412 6.05727 11.0912 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.64889 9.7625 7.70529 15.4648 9.7748 16.795 numMergedOcc 0
34 mol 282 unq 0 iso 0 dist 7.34596 9.88071 8.2662 4.36798 8.76532 10.6906 numMergedOcc 0
35 mol 282 unq 1 iso 0 dist 7.12228 9.88071 6.6348 4.36798 6.33524 10.6906 numMergedOcc 0
