0 mol 0 unq 0 iso 0 dist 9.94618 5.98788 7.06591 7.49611 12.4363 6.91778 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 8.23852 6.10734 6.996 12.7044 11.2623 8.24634 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.85869 9.02286 5.03532 14.1047 9.85726 6.44736 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.5298 9.02286 4.45508 14.1047 10.8678 6.44736 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.87568 9.02286 5.41499 14.1047 10.0826 6.44736 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 7.12013 6.19304 8.43877 11.7888 16.2524 7.99969 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 8.60653 7.93241 5.65405 5.59773 7.21717 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 9.73668 8.9536 10.5085 4.86104 13.5302 8.39111 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.26463 8.61574 13.6411 10.5726 15.5753 9.23858 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.29439 9.21645 5.8134 11.6494 13.3876 8.00003 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 5.25879 8.54461 8.78276 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 8.26291 6.87196 7.91054 5.26656 11.3273 7.88805 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 8.26291 6.87196 7.91054 10.9365 7.83619 7.96646 numMergedOcc 0
13 mol 130 unq 3 iso 0 dist 8.26291 6.87196 7.91054 10.6181 14.6047 7.90048 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 5.50364 5.43662 4.17212 5.29825 8.97145 8.70296 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 8.7301 5.43662 9.64263 5.29825 6.5874 8.70296 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 10.9993 12.407 9.00416 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.47989 6.00295 4.78734 9.26251 12.4191 8.73722 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 9.04176 6.40435 5.0315 11.0374 13.7555 9.44367 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 9.04176 6.40435 5.0315 9.75709 10.543 7.90267 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.03259 9.99409 9.21613 5.114 11.2315 8.90963 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 4.35909 8.50938 6.70394 5.32859 7.44191 6.46704 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 5.77393 8.50938 10.8517 5.32859 6.00053 6.46704 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 5.13722 6.65725 8.44389 7.25468 11.3917 6.42735 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 5.1021 9.8711 6.59716 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 12.6212 14.3079 8.80683 numMergedOcc 0
26 mol 226 unq 1 iso 0 dist 9.05082 6.82883 7.93097 10.78 9.5723 6.11704 numMergedOcc 0
27 mol 226 unq 2 iso 0 dist 9.05082 6.95495 4.87605 8.19889 10.6892 9.83827 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 9.78444 6.47859 10.225 9.78463 18.214 9.01021 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 9.8995 8.80866 5.35196 5.44123 11.0373 7.16525 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 9.36052 8.16005 5.527 6.69098 12.8035 8.49177 numMergedOcc 0
