0 mol 18 unq 0 iso 0 dist 7.63261 7.23594 6.47139 5.03451 10.7484 10.0997 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 9.942 6.54685 15.711 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.99557 9.31319 15.919 5.92771 11.9936 7.13979 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 8.99557 8.2513 17.0196 9.942 6.54685 16.0486 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 8.99557 8.2513 17.0196 5.92771 11.9936 9.26597 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.47588 8.61163 7.21475 7.77212 3.86331 5.8646 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 8.90147 4.82623 9.60641 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 9.64287 4.56119 4.23405 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 8.60361 5.94478 5.47085 7.85115 8.11883 8.02001 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 9.85144 9.99182 6.21159 numMergedOcc 0
10 mol 136 unq 0 iso 0 dist 6.27434 6.53519 6.38418 7.75661 3.84229 4.22085 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 7.91749 15.1552 6.77599 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 8.6499 7.38138 8.61198 7.91749 15.1552 10.2375 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 7.96309 15.2935 6.74495 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 8.75339 7.34423 8.68422 7.96309 15.2935 10.2651 numMergedOcc 0
15 mol 153 unq 0 iso 0 dist 8.30572 9.56587 12.1679 5.17415 10.4694 6.14894 numMergedOcc 0
16 mol 153 unq 1 iso 0 dist 8.30572 9.56587 12.1679 8.379 9.20332 4.15597 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.01303 6.64164 8.66436 9.5648 5.09728 12.8624 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.83021 8.08787 8.94975 7.93815 5.18174 4.63377 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 7.8518 6.18322 6.49075 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 6.99474 6.32652 4.30341 7.8518 6.18322 8.62057 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 5.67616 4.71403 4.70115 6.19516 5.58279 5.99437 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 6.03628 6.62122 4.15355 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 7.81831 7.89413 7.79075 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 8.59762 5.52981 4.94196 8.5458 10.8708 9.81852 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 8.59762 6.22077 10.4847 8.5458 10.8708 3.61669 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 9.42881 5.52981 11.7195 8.5458 6.75664 9.81852 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 9.42881 6.22077 4.67327 8.5458 6.75664 3.61669 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 9.63988 7.11272 14.3233 9.97709 8.55166 9.89329 numMergedOcc 0
29 mol 276 unq 1 iso 0 dist 9.63988 6.24808 10.8564 9.97709 8.55166 12.1499 numMergedOcc 0
