0 mol 32 unq 0 iso 0 dist 5.07365 6.76514 5.28639 5.31805 6.19304 4.62858 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.85697 7.61402 5.19805 5.45932 10.5379 7.21995 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.85697 7.61402 5.19805 8.19237 14.0326 9.62637 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 8.85697 8.11293 10.2656 5.45932 10.5379 7.70625 numMergedOcc 0
4 mol 45 unq 3 iso 0 dist 8.85697 8.11293 10.2656 8.19237 14.0326 6.01423 numMergedOcc 0
5 mol 45 unq 4 iso 0 dist 7.78089 7.61402 5.48117 5.45932 10.2516 7.21995 numMergedOcc 0
6 mol 45 unq 5 iso 0 dist 7.78089 7.61402 5.48117 8.19237 10.7967 9.62637 numMergedOcc 0
7 mol 45 unq 6 iso 0 dist 7.78089 8.11293 5.7088 5.45932 10.2516 7.70625 numMergedOcc 0
8 mol 45 unq 7 iso 0 dist 7.78089 8.11293 5.7088 8.19237 10.7967 6.01423 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.54428 8.41365 12.6895 5.01159 9.20373 6.30987 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.24753 6.22513 7.5192 4.80291 4.73362 7.03226 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.59587 7.81181 5.28505 7.62766 10.0979 5.79343 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.97546 8.28362 5.73959 6.3353 5.24709 6.75145 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 5.97546 5.60137 7.28943 6.3353 5.24709 8.1856 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.72148 7.49255 5.32985 3.98813 6.40435 5.81122 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.7192 4.94012 5.32985 6.29145 6.40435 5.81122 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 6.95445 6.68441 8.81117 4.02361 10.6021 6.72852 numMergedOcc 0
17 mol 159 unq 1 iso 0 dist 6.95445 6.68441 8.81117 9.90351 13.4512 8.52082 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.332 9.13913 14.244 10.735 15.423 8.41245 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 9.332 9.13913 14.244 14.6187 19.1535 6.64779 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.18725 9.75763 7.41566 6.45756 12.381 9.82588 numMergedOcc 0
