0 mol 11 unq 0 iso 0 dist 5.27762 8.06254 5.99293 11.1876 12.3244 7.5459 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.08801 8.12184 6.08445 11.3074 12.3553 7.5459 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 6.89863 7.02884 11.5928 12.9838 18.8195 7.92012 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.50287 5.0478 7.67964 6.85941 11.8816 9.17082 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 6.65267 8.6317 12.3669 6.24872 12.3443 6.11502 numMergedOcc 0
5 mol 125 unq 1 iso 0 dist 6.65267 8.6317 12.3669 10.4668 16.2115 6.33431 numMergedOcc 0
6 mol 125 unq 2 iso 0 dist 6.55342 8.6317 7.21828 6.24872 9.19255 6.11502 numMergedOcc 0
7 mol 125 unq 3 iso 0 dist 6.55342 8.6317 7.21828 10.4668 11.9962 6.33431 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.43061 9.45931 15.6036 7.98447 15.971 6.75376 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 8.43061 6.35397 9.62363 7.98447 15.971 9.10042 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 8.43061 6.35397 9.62363 8.12085 14.9122 9.75059 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 8.43061 6.35397 9.62363 10.1812 9.78937 6.83404 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.36589 6.97467 11.691 14.0762 19.6603 8.21184 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 9.36589 6.97467 11.691 12.9439 15.6499 5.9976 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 7.18149 5.21339 9.26635 10.6902 15.1528 9.62455 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 9.87896 9.68308 5.74889 11.1429 11.08 5.9627 numMergedOcc 0
16 mol 284 unq 0 iso 0 dist 9.40824 5.61727 10.747 8.51351 15.2561 7.34931 numMergedOcc 0
17 mol 284 unq 1 iso 0 dist 6.1324 5.61727 7.95816 8.51351 10.4919 7.34931 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.39418 8.82948 12.4113 10.7234 14.9646 6.95912 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.39418 8.82948 12.4113 10.7234 14.9646 6.95912 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.39418 8.82948 12.4113 10.7234 14.9646 6.95912 numMergedOcc 0
