0 mol 11 unq 0 iso 0 dist 6.40513 12.8569 8.68293 5.83448 6.84216 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.40513 5.83448 6.84216 12.8569 8.68293 14.8738 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.97875 11.7637 8.01262 5.63105 6.58046 13.3327 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 6.97875 5.63105 6.58046 11.7637 8.01262 13.3327 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 7.12984 7.49157 5.31288 7.73794 4.10458 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.85331 5.31288 7.73794 7.12984 7.49157 4.10458 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.35095 6.85946 8.23075 6.85662 4.7841 6.0925 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.35095 6.85662 4.7841 6.85946 8.23075 6.0925 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 5.36645 5.39197 7.15542 9.53255 8.89047 6.87266 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 5.36645 9.53255 8.89047 5.39197 7.15542 6.87266 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 5.36645 5.39197 7.15542 7.75132 8.89003 4.62605 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 5.36645 7.75132 8.89003 5.39197 7.15542 4.62605 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 5.36645 9.53255 8.89047 7.75132 8.89003 3.23184 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 5.36645 7.75132 8.89003 9.53255 8.89047 3.23184 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 7.14865 6.31365 8.06267 5.08329 5.88334 3.20411 numMergedOcc 0
15 mol 68 unq 0 iso 1 dist 7.14865 5.08329 5.88334 6.31365 8.06267 3.20411 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 9.99029 17.7256 7.91148 15.9158 6.59794 3.24688 numMergedOcc 0
17 mol 78 unq 0 iso 1 dist 9.99029 15.9158 6.59794 17.7256 7.91148 3.24688 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 9.99029 17.7256 7.91148 17.574 8.34957 4.60796 numMergedOcc 0
19 mol 78 unq 1 iso 1 dist 9.99029 17.574 8.34957 17.7256 7.91148 4.60796 numMergedOcc 0
20 mol 78 unq 1 iso 0 dist 9.99029 15.9158 6.59794 17.574 8.34957 7.19832 numMergedOcc 0
21 mol 78 unq 1 iso 1 dist 9.99029 17.574 8.34957 15.9158 6.59794 7.19832 numMergedOcc 0
22 mol 79 unq 0 iso 0 dist 5.49623 6.51961 5.25027 4.08459 4.37025 5.30569 numMergedOcc 0
23 mol 79 unq 0 iso 1 dist 5.49623 4.08459 4.37025 6.51961 5.25027 5.30569 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 6.56115 6.99664 9.90947 4.09125 8.16252 3.25368 numMergedOcc 0
25 mol 163 unq 0 iso 1 dist 6.56115 4.09125 8.16252 6.99664 9.90947 3.25368 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 8.58946 11.6251 9.86868 6.39898 6.83528 9.71457 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 8.58946 6.39898 6.83528 11.6251 9.86868 9.71457 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 9.88212 10.5477 6.1896 11.445 6.09255 6.94905 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 9.88212 11.445 6.09255 10.5477 6.1896 6.94905 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 9.98232 13.2586 9.9868 12.8691 7.3268 13.1222 numMergedOcc 0
31 mol 231 unq 0 iso 1 dist 9.98232 12.8691 7.3268 13.2586 9.9868 13.1222 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 7.47238 6.89215 8.25985 11.652 9.27788 6.61868 numMergedOcc 0
33 mol 232 unq 0 iso 1 dist 7.47238 11.652 9.27788 6.89215 8.25985 6.61868 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 8.35794 5.11865 5.69112 8.46455 7.2091 3.75238 numMergedOcc 0
35 mol 277 unq 0 iso 1 dist 8.35794 8.46455 7.2091 5.11865 5.69112 3.75238 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 7.66291 11.0066 6.71946 4.90871 8.28061 9.00617 numMergedOcc 0
37 mol 285 unq 0 iso 1 dist 7.66291 4.90871 8.28061 11.0066 6.71946 9.00617 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 7.66291 11.0066 6.71946 6.59144 5.03601 7.33055 numMergedOcc 0
39 mol 285 unq 1 iso 1 dist 7.66291 6.59144 5.03601 11.0066 6.71946 7.33055 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 7.66291 4.90871 8.28061 6.59144 5.03601 4.55612 numMergedOcc 0
41 mol 285 unq 1 iso 1 dist 7.66291 6.59144 5.03601 4.90871 8.28061 4.55612 numMergedOcc 0
