0 mol 54 unq 0 iso 0 dist 7.51978 6.43082 6.83299 5.59128 5.02241 5.06052 5.0478 4.29856 6.14538 6.30987 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 16.2522 9.64444 6.73347 9.2902 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 16.5767 9.64444 6.73347 9.2902 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 16.7381 12.2861 8.30845 9.44658 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.6273 8.72704 10.1589 20.207 15.5385 8.76378 18.5425 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 18.8617 12.2861 8.30845 9.44658 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 11.6898 8.72704 10.1589 24.7909 15.5385 8.76378 18.5425 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 5.66952 9.38288 11.7228 14.3225 10.9441 9.11344 17.5912 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.32004 6.92096 9.87172 4.91188 6.19042 6.35763 14.3225 10.9441 9.11344 11.1099 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.32004 6.92096 9.87172 7.01214 7.44174 7.36192 14.3225 10.9441 9.11344 11.8717 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.69757 6.82985 7.12972 12.4356 8.6243 6.19596 8.74658 8.23791 9.90168 11.4282 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 15.1358 8.6355 10.1448 11.8229 5.71679 7.69991 8.73604 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1358 8.6355 5.41704 11.8229 5.71679 6.23142 8.73604 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 5.58352 9.36805 6.29785 11.9646 5.71511 9.4013 10.735 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 5.54495 6.93764 4.80231 14.3125 12.5387 5.94469 10.6207 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 14.9122 6.6251 6.2479 9.06217 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 14.9122 6.6251 6.2479 7.13252 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 5.6688 5.6044 9.72611 10.3766 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 14.9122 6.6251 7.99195 9.06217 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 5.6688 5.6044 9.72611 10.7723 numMergedOcc 0
20 mol 181 unq 6 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 14.9122 6.6251 7.99195 7.13252 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 7.58285 8.51516 13.2566 5.90931 12.9483 6.21588 5.86489 7.32294 11.641 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 7.13867 9.19704 6.23291 14.5739 10.3603 5.44002 10.5073 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 5.87056 9.32448 7.43071 10.4957 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 6.18486 6.78651 7.55216 5.31715 8.83563 11.662 9.84311 6.48027 5.41321 13.792 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 4.68558 7.20082 7.04058 13.4941 10.0842 9.01021 10.9156 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 7.90792 8.93697 6.33524 6.63358 7.32347 6.3384 12.9236 5.0324 9.0975 11.0343 numMergedOcc 0
