0 mol 34 unq 0 iso 0 dist 9.3613 6.20159 13.9758 10.5928 8.58962 12.1627 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 4.32337 6.56152 6.41212 6.99697 9.53334 9.2497 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.68599 9.78508 7.63024 13.8714 9.18836 11.8523 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 6.68599 9.78508 7.63024 7.50942 6.07294 13.0921 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.23755 6.35752 11.6826 15.0981 6.82707 18.4536 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.23755 8.88238 8.15716 15.0981 6.82707 9.69315 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.40582 8.22584 11.952 16.1172 8.96747 17.9272 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 9.60797 8.35313 5.27788 5.98881 9.23757 6.84656 numMergedOcc 0
8 mol 105 unq 1 iso 0 dist 6.88033 5.84385 4.1272 11.7437 9.23757 10.349 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 6.85063 8.50478 10.7517 4.11976 8.40219 6.75601 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 8.80671 6.53528 10.727 11.4601 8.88405 16.374 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 8.80671 6.53528 10.727 6.4298 7.13854 10.76 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 5.41885 6.38041 7.39922 5.53416 7.60896 10.4632 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 9.66298 9.00616 18.2243 11.7392 6.45102 20.5808 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 9.66298 6.35699 14.9188 11.7392 6.45102 18.0283 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.20998 9.85095 4.86442 7.30886 6.77259 11.3494 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 6.20998 8.25191 12.138 7.30886 6.77259 15.4618 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.20998 7.35056 12.3665 7.30886 6.77259 14.5283 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 7.29081 8.20612 11.9479 6.85615 9.57659 14.7112 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 7.29081 8.20612 11.9479 9.64596 7.8424 17.3239 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 3.97964 8.89904 5.84126 5.51019 7.42529 8.83569 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 7.72152 8.89904 13.5533 10.0297 8.47055 18.6437 numMergedOcc 0
