0 mol 5 unq 0 iso 0 dist 9.89833 9.83318 4.2849 3.99762 9.65106 8.97274 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.89833 9.83318 4.2849 8.19993 10.9267 7.5815 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.3489 7.74463 5.04413 5.92541 6.77277 7.82875 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.25984 9.04117 5.5061 4.22382 5.51659 6.57633 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.00677 8.67352 5.15743 9.19015 11.4913 8.73588 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.15549 8.62632 12.032 8.91031 10.1299 8.40461 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.57285 9.21757 5.46646 4.57152 6.89622 7.94976 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.954 6.51243 5.09521 7.51816 13.0269 9.65468 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 8.66115 10.1886 5.97971 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.47689 8.39573 5.71744 6.02642 10.5594 8.72747 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 6.47689 8.39573 5.71744 7.62243 10.8736 8.23845 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 12.0975 8.65729 8.565 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 3.74681 8.65729 8.565 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 9.08719 5.36326 11.4272 3.74681 9.9137 8.565 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 8.32298 9.09697 5.05503 13.611 12.1652 7.71863 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 6.23346 9.3974 12.4865 5.70986 8.59955 6.75627 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.57184 9.67281 12.4194 7.18715 11.9776 5.52788 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 6.90276 6.17824 6.24693 10.4064 13.6877 9.65275 numMergedOcc 0
18 mol 251 unq 1 iso 0 dist 8.65339 8.07576 10.1422 4.72905 12.9316 9.65275 numMergedOcc 0
19 mol 255 unq 0 iso 0 dist 9.72048 7.58813 9.02405 4.03201 11.497 5.88708 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.57035 7.03656 7.23238 7.77606 7.08788 8.30375 numMergedOcc 0
