0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 5.07985 6.1206 7.12508 8.15894 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 15.1191 9.06158 9.93832 18.3387 10.0168 10.8828 7.24352 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 15.1191 9.06158 8.60739 18.3387 10.0168 5.07458 7.24352 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 18.8714 19.476 12.6108 5.43933 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 21.2585 19.9429 10.9279 4.99604 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 11.4567 10.2348 5.43385 7.44041 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 16.9078 19.2666 13.764 9.97483 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 10.1832 3.78311 7.77116 18.3746 12.31 6.9194 9.6121 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 10.1832 3.78311 7.77116 16.57 7.64052 9.68677 9.57341 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 8.8359 5.5703 9.46588 6.36968 11.4624 10.7549 8.66815 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 14.8536 9.35627 9.77552 20.3318 14.437 12.4535 6.92726 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 14.8536 9.35627 8.28642 20.3318 14.437 9.84297 6.92726 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 17.5431 11.2078 8.28642 18.241 15.2732 9.84297 6.92726 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 15.1289 6.74196 8.84507 7.97027 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 15.5283 11.4707 8.67203 6.81955 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 13.6078 8.36842 6.02502 4.9876 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 11.4439 4.59567 8.37597 3.56689 8.08349 5.13732 8.54702 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 10.3724 4.59567 8.37597 11.4272 8.08349 5.13732 8.54702 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 15.7465 9.91384 4.1511 5.28771 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 15.7465 9.91384 4.69247 5.28771 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 9.17826 11.4528 7.55216 14.5658 10.6244 5.87815 15.7308 12.2073 5.73883 9.71916 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 9.13669 10.3016 4.1511 5.28771 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 22.5907 16.8558 11.0437 6.42694 numMergedOcc 0
23 mol 229 unq 1 iso 0 dist 9.84492 11.9226 8.22528 19.2949 11.6847 8.92743 23.7008 16.8118 11.9989 7.63917 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 8.43766 7.07028 6.7547 10.3524 6.20661 6.41286 11.9323 12.3973 9.70574 7.07833 numMergedOcc 0
