0 mol 5 unq 0 iso 0 dist 8.25372 10.7254 7.44029 6.13695 7.74636 11.6519 11.45 5.31713 9.90623 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.25372 10.7254 7.44029 6.13695 7.74636 11.6519 12.7004 7.84244 14.186 8.31759 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.36963 6.41686 6.50444 9.27837 6.77807 3.5691 14.1863 8.56896 11.4697 8.7908 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.62508 7.88348 9.3223 6.95803 9.2146 5.35996 11.8984 16.4255 12.8672 8.53424 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 6.62508 7.88348 9.3223 6.95803 9.2146 5.35996 12.2067 16.0765 10.8131 7.08766 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 6.62508 7.88348 9.3223 6.95803 9.2146 5.35996 10.7835 13.6412 9.3779 4.82199 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 9.77719 8.72422 9.3223 4.3475 9.2146 5.35996 6.76158 16.4255 12.8672 8.53424 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 9.77719 8.72422 9.3223 4.3475 9.2146 5.35996 7.423 16.0765 10.8131 7.08766 numMergedOcc 0
8 mol 28 unq 5 iso 0 dist 9.77719 8.72422 9.3223 4.3475 9.2146 5.35996 5.89257 13.6412 9.3779 4.82199 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 7.39124 10.7612 7.57749 6.16081 5.4713 9.83606 9.77219 6.08836 10.0975 3.77542 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 7.39124 10.7612 7.57749 6.16081 5.4713 9.83606 14.487 14.1986 19.2442 9.97314 numMergedOcc 0
11 mol 46 unq 2 iso 0 dist 7.39124 6.57152 8.55202 6.16081 5.4713 8.99132 9.77219 6.08836 11.5946 3.77542 numMergedOcc 0
12 mol 46 unq 3 iso 0 dist 7.39124 6.57152 8.55202 6.16081 5.4713 8.99132 14.487 14.1986 14.345 9.97314 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 5.65006 5.94401 6.63973 5.5308 5.45099 9.68005 5.61831 3.35924 6.46582 7.66068 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 5.65006 5.94401 6.63973 10.5881 8.44765 14.6547 5.61831 3.35924 6.46582 9.5043 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 5.65006 5.94401 6.63973 9.74852 9.06643 14.1202 5.61831 3.35924 6.46582 8.34132 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 6.53198 8.97892 6.12348 5.23075 4.30875 3.77247 10.0487 3.52445 7.08403 7.02358 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 6.53198 5.45975 7.2672 5.23075 4.30875 7.80142 10.0487 3.52445 9.88567 7.02358 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 8.65328 9.52243 9.23064 4.18108 7.0961 7.13766 9.57924 6.06538 8.97414 5.86767 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 8.65328 9.52243 9.23064 4.18108 7.0961 7.13766 8.47439 10.919 10.1297 5.28353 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 6.4644 8.878 6.27683 5.05368 4.11374 3.89732 10.0553 3.59996 7.33643 6.96715 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 6.4644 5.51046 7.1757 5.05368 4.11374 7.61664 10.0553 3.59996 10.1085 6.96715 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.52702 11.113 7.27503 4.38276 9.73217 9.04755 7.13397 15.6308 17.4567 8.62655 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 10.8476 5.96434 9.18918 6.24487 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 10.8476 5.96434 9.18918 6.24487 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.37164 5.5725 9.14467 7.52677 6.22311 5.9286 10.8476 5.96434 9.18918 6.24487 numMergedOcc 0
