0 mol 18 unq 0 iso 0 dist 7.37356 10.8815 6.79099 4.84965 8.51213 13.1537 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.35333 9.79432 9.15042 5.81652 6.6657 5.82017 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.16277 10.2669 9.15042 5.66849 6.6657 5.82017 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.85873 8.12715 8.25651 5.19804 5.25504 4.80369 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.07365 9.72663 6.05043 4.90339 9.17862 11.1228 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.07365 9.72663 6.05043 12.9365 8.27456 6.99612 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.77678 6.88366 6.59361 6.99654 8.1306 7.35494 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.47907 9.39204 5.09114 8.96396 8.054 11.2576 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.52413 12.5521 5.63906 15.6548 7.09426 5.90884 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 9.23836 12.1176 6.60651 11.5727 7.84536 10.2953 numMergedOcc 0
10 mol 196 unq 1 iso 0 dist 9.23836 12.1176 6.60651 8.10415 7.07723 11.554 numMergedOcc 0
11 mol 196 unq 2 iso 0 dist 9.23836 12.1176 6.60651 6.1798 6.40064 6.29554 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.73691 5.88456 6.82881 9.92307 8.48081 7.67515 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.39537 8.99495 9.82174 5.81253 8.39522 8.0362 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 8.97461 8.99495 9.2521 5.81253 5.99187 8.0362 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 6.94654 9.12387 9.41975 11.7816 9.93378 14.809 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 6.94654 6.02698 8.51359 11.7816 9.93378 8.0362 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 8.89487 15.9514 9.41975 5.81253 9.93378 14.809 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 8.89487 8.99495 8.51359 5.81253 9.93378 8.0362 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 7.38758 9.68063 9.04738 8.01575 7.06108 7.75956 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 7.43241 9.12426 7.18433 15.2838 9.12551 9.08117 numMergedOcc 0
