0 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 10.4452 5.97304 8.86116 5.06937 5.78238 9.59761 9.90845 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 11.0565 3.98564 9.60462 15.284 9.54846 12.5148 6.85381 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 7.35503 11.5698 7.30204 11.0565 3.98564 7.45389 15.284 9.54846 6.38057 6.85381 numMergedOcc 0
3 mol 112 unq 2 iso 0 dist 8.79543 11.7503 7.23962 11.6825 3.98564 9.60462 14.1273 9.54846 12.5148 6.85381 numMergedOcc 0
4 mol 112 unq 3 iso 0 dist 8.79543 10.886 7.30204 11.6825 3.98564 7.45389 14.1273 9.54846 6.38057 6.85381 numMergedOcc 0
5 mol 112 unq 4 iso 0 dist 6.48223 10.626 7.23962 5.81552 3.98564 9.60462 5.16543 9.54846 12.5148 6.85381 numMergedOcc 0
6 mol 112 unq 5 iso 0 dist 6.48223 5.27363 7.30204 5.81552 3.98564 7.45389 5.16543 9.54846 6.38057 6.85381 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 10.2589 3.78311 8.73993 5.7998 10.1832 14.0677 9.42766 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 12.477 5.5703 6.06638 9.3182 8.8359 9.07346 9.06961 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 13.9298 9.35627 8.56324 15.2694 14.8536 9.66339 9.10619 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 13.9298 9.35627 6.70283 15.2694 14.8536 13.9994 9.10619 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 9.19078 11.3742 8.28642 18.3042 11.2078 8.67331 22.0532 17.5431 10.7816 9.74498 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 8.8513 7.63908 8.47347 10.7448 4.46081 9.96154 5.51595 5.77968 5.5682 6.02561 numMergedOcc 0
13 mol 188 unq 1 iso 0 dist 9.53031 7.63236 8.47347 7.63268 4.46081 9.96154 4.54544 5.77968 5.5682 6.02561 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 7.27481 6.42798 6.00706 4.56782 12.5498 8.81265 8.7347 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 15.676 13.4281 14.9329 9.17826 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.33735 15.9389 8.38865 20.5429 12.9587 7.09863 22.6784 14.0932 7.69739 9.64299 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 15.676 13.4281 13.2783 9.17826 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.3376 12.696 8.92743 14.4018 11.6847 8.22528 22.5851 19.2949 11.9226 9.84492 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 6.62923 4.86504 9.97651 6.07797 5.7564 11.082 9.1118 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 4.78812 8.7909 8.33638 8.20642 14.5853 9.58279 6.94346 numMergedOcc 0
21 mol 272 unq 2 iso 0 dist 7.11691 5.27123 8.46061 6.62923 4.86504 8.46116 6.07797 5.7564 6.72149 9.1118 numMergedOcc 0
