0 mol 5 unq 0 iso 0 dist 5.14917 9.05414 5.13643 9.57274 8.88048 13.658 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.94843 9.64829 9.16055 5.7654 8.31647 12.9358 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41842 5.73206 4.77227 10.8869 8.04019 11.3945 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.41842 5.73206 4.77227 10.1727 7.44828 5.52908 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.5203 6.44158 5.80848 6.20447 8.68012 8.95619 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 7.38663 6.72594 8.39751 5.18893 7.36738 5.96987 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 7.38663 6.72594 8.39751 4.18787 7.79266 9.41317 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.1662 7.09184 13.0828 3.86843 6.49343 7.7106 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 10.7182 8.27009 18.2418 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 8.34804 8.39857 14.8076 5.66613 5.80736 13.7019 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 5.01633 9.01568 5.19081 4.18109 8.25597 12.4284 numMergedOcc 0
11 mol 75 unq 1 iso 0 dist 5.01633 9.01568 5.19081 4.01868 4.76466 9.28944 numMergedOcc 0
12 mol 75 unq 2 iso 0 dist 5.01633 9.01568 5.19081 6.54389 8.67172 11.393 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 5.52999 8.99759 7.59764 6.64985 6.79959 13.791 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.01269 9.48694 5.55073 6.65104 9.23104 14.3232 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.61448 5.84909 8.13581 13.8877 8.76088 16.1477 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 9.8446 9.63241 5.54803 4.08841 6.85551 6.89325 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 8.49376 7.80506 10.0449 8.23203 7.98755 13.7944 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 6.9705 9.32606 10.0449 4.84752 7.98755 13.7944 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.31333 6.36789 3.82682 4.43567 9.2254 10.2921 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.22332 6.97662 4.37243 4.95393 7.65121 9.24959 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.5942 9.03261 4.1635 4.31761 8.52996 9.8349 numMergedOcc 0
22 mol 226 unq 1 iso 0 dist 9.5942 7.67573 9.6805 4.31761 8.52996 6.72708 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 4.60599 8.63249 13.7761 numMergedOcc 0
24 mol 246 unq 0 iso 0 dist 7.63397 8.58085 10.7108 6.06278 8.16617 14.159 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 15.4705 8.10903 20.5145 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.17911 5.9223 14.8337 13.8539 7.25618 19.3656 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 7.29764 6.96986 5.25426 4.80845 9.00071 10.9825 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 5.02003 9.34051 10.5453 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 9.5388 7.73676 4.6652 17.4715 9.87655 14.1029 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 numMergedOcc 0
33 mol 293 unq 0 iso 0 dist 7.67909 8.04021 5.48105 5.86662 7.41524 10.2129 numMergedOcc 0
34 mol 293 unq 1 iso 0 dist 6.83404 8.04021 4.88851 5.86662 6.42608 10.2129 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 5.71656 9.64435 6.19638 8.43044 9.22572 15.0489 numMergedOcc 0
