0 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 8.6586 6.7846 8.23075 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 13.2236 8.03955 4.7841 4.30252 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 8.6586 6.7846 8.23075 7.8619 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 13.2236 8.03955 4.7841 13.3176 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 8.6586 6.7846 8.23075 11.0098 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 13.2236 8.03955 4.7841 12.496 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 11.3003 9.92243 7.03372 11.386 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 7.13085 8.95682 6.18002 14.8727 9.86609 7.39848 12.8435 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 3.88757 7.54568 10.2865 14.0035 8.37717 9.01812 15.3758 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 5.22543 4.50603 6.57035 5.08458 6.98314 5.53055 10.7133 7.89838 9.23765 13.154 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 9.86767 13.0914 9.59585 9.34113 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 11.2266 8.8822 10.1816 12.94 12.5818 9.7073 14.2952 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 9.86767 13.0914 9.59585 5.35711 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 8.89481 4.36935 5.86073 9.01097 9.66219 8.42718 12.94 12.5818 9.7073 11.8845 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 11.127 9.90168 13.7237 13.8709 11.6692 8.80895 17.1537 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 11.5759 6.66772 7.12976 4.82356 6.12885 5.78814 10.218 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 11.6678 7.78652 6.48978 10.5624 6.75249 8.64905 13.6073 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 11.347 8.91301 5.20762 10.5624 6.75249 8.64905 12.9862 numMergedOcc 0
18 mol 180 unq 0 iso 0 dist 9.88732 6.54937 9.62337 10.6052 5.85827 8.78204 7.58661 4.38407 9.63576 9.14663 numMergedOcc 0
19 mol 180 unq 1 iso 0 dist 5.77949 6.91082 9.62337 5.62869 5.85827 8.78204 5.81023 4.38407 9.63576 9.14663 numMergedOcc 0
20 mol 180 unq 2 iso 0 dist 8.68403 10.1423 9.62337 8.39191 5.85827 8.78204 7.80553 4.38407 9.63576 9.14663 numMergedOcc 0
21 mol 180 unq 3 iso 0 dist 5.80441 9.82186 9.62337 4.11186 5.85827 8.78204 9.87378 4.38407 9.63576 9.14663 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 3.99238 6.03688 12.4957 16.1999 13.3822 7.13783 17.7232 numMergedOcc 0
23 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 3.83595 6.54852 6.37275 17.3809 17.7601 9.9868 16.0391 numMergedOcc 0
24 mol 231 unq 1 iso 0 dist 8.01942 8.55683 8.40182 3.83595 6.54852 6.37275 13.9064 10.3815 7.3268 10.3577 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 11.6863 4.04428 8.25985 9.78273 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 12.0387 4.22149 9.27788 11.9664 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 11.8576 4.24652 9.83622 9.2199 numMergedOcc 0
