0 mol 93 unq 0 iso 0 dist 8.16531 8.77074 9.42916 14.5206 9.81831 18.2573 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 8.16531 8.77074 9.42916 10.2104 9.12858 16.6164 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 8.16531 8.77074 9.42916 12.7325 9.4523 17.9577 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.5606 9.58855 10.5177 4.77991 6.34525 14.1487 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 7.28496 8.24653 5.6462 4.97215 8.97264 10.8906 numMergedOcc 0
5 mol 124 unq 1 iso 0 dist 7.28496 8.24653 5.6462 9.28205 8.80896 11.3309 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.02258 8.81111 11.7939 14.4768 6.69515 16.5386 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 8.02258 8.81111 11.7939 13.0477 7.86572 13.5519 numMergedOcc 0
8 mol 141 unq 2 iso 0 dist 8.02258 5.66405 5.38571 14.4768 6.69515 11.0743 numMergedOcc 0
9 mol 141 unq 3 iso 0 dist 8.02258 5.66405 5.38571 13.0477 7.86572 9.97343 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 4.49707 9.00731 5.45183 5.00649 8.00506 11.6966 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 4.49707 5.99212 4.56165 5.00649 8.00506 6.45896 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.39908 8.53237 8.11873 5.5366 6.258 9.19 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.14238 4.65126 8.11873 7.39708 6.258 9.19 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.92844 9.854 6.74112 9.70055 6.60567 6.95086 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 7.92844 9.854 6.74112 9.9116 7.62942 14.0524 numMergedOcc 0
16 mol 203 unq 0 iso 0 dist 8.08419 8.22927 4.51268 9.59306 8.72527 11.1581 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 5.6524 9.24401 11.1744 5.92474 7.63018 10.8927 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 4.72269 6.80332 9.75095 7.1502 8.57827 12.6219 numMergedOcc 0
19 mol 212 unq 1 iso 0 dist 4.72269 6.80332 9.75095 5.3615 6.29767 9.74144 numMergedOcc 0
20 mol 212 unq 2 iso 0 dist 4.72269 7.64336 9.63281 7.1502 8.57827 10.7294 numMergedOcc 0
21 mol 212 unq 3 iso 0 dist 4.72269 7.64336 9.63281 5.3615 6.29767 7.15603 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 5.6241 5.91739 5.92456 7.45579 8.50331 12.6259 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.35413 7.87648 8.10604 5.38982 6.70815 7.21311 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.35413 7.87648 8.10604 12.3699 7.99477 11.2102 numMergedOcc 0
