0 mol 27 unq 0 iso 0 dist 5.80623 10.1283 7.60283 16.9919 14.3929 9.77484 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.75307 3.71754 8.71752 8.28463 6.65855 9.77484 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.24775 3.71754 7.60283 8.28463 14.3929 9.77484 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.04708 5.70213 6.24515 11.1166 7.401 7.33969 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.04708 10.1297 6.47855 11.1166 7.401 7.45237 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 5.0478 5.59128 6.30987 7.51978 4.29856 5.02241 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.7389 11.0222 7.03226 10.1235 4.85247 6.21982 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.7389 11.0222 7.03226 12.2281 6.45686 8.19682 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 7.14461 5.75754 7.2268 10.8702 5.95671 7.51358 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 7.14461 5.75754 7.2268 11.794 7.93998 8.32298 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 7.14461 7.55769 8.31175 10.8702 5.95671 8.93296 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.22984 12.1174 7.09065 17.4437 9.36726 9.39469 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.22984 12.1174 7.09065 13.2537 7.16919 4.76815 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 6.6157 7.39527 7.09065 14.7041 9.36726 9.39469 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 6.6157 7.39527 7.09065 9.91446 7.16919 4.76815 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 7.37771 5.22124 7.09065 12.9862 9.36726 9.39469 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 7.37771 5.22124 7.09065 9.4618 7.16919 4.76815 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.12514 5.23522 7.70313 11.1807 14.0688 7.76729 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 9.14007 6.70767 5.26989 4.93035 7.42649 6.93652 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 9.14007 6.70767 5.26989 10.4824 8.39549 9.54444 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 6.97467 9.32932 6.05323 9.36561 5.81563 7.36119 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 6.1338 7.47532 9.33696 11.6748 10.5721 6.90541 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.84311 13.1968 7.57454 10.7118 10.9607 8.17891 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 9.84311 13.1968 7.57454 13.6059 9.72615 6.95902 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 8.85568 5.31715 9.28891 6.18486 6.67321 8.83563 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 7.06589 10.6548 9.58354 5.76077 5.78064 7.19465 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 8.70383 3.494 9.58354 7.0247 5.78064 7.19465 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 5.94224 6.63358 6.8972 10.9708 7.80785 6.85028 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 5.94224 6.63358 6.8972 7.90792 6.6348 7.32347 numMergedOcc 0
29 mol 282 unq 2 iso 0 dist 5.94224 6.63358 6.8972 11.2496 6.3458 8.3411 numMergedOcc 0
