0 mol 19 unq 0 iso 0 dist 9.47909 5.96899 12.818 9.12608 6.16954 13.4039 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.17072 8.66738 8.11586 6.81477 7.13468 8.94643 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.17072 8.66738 8.11586 5.88912 9.50693 8.36195 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.03295 8.66738 14.6631 6.81477 9.57803 8.94643 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.03174 6.53195 9.70861 4.77227 6.64845 5.98867 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.96872 9.43839 11.4354 11.0751 9.71134 14.8713 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 6.55349 7.06763 6.33005 3.79204 9.42335 10.1866 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 7.82186 7.50959 3.3085 12.7301 6.14769 9.13689 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 5.85006 5.24948 3.3085 8.40361 6.14769 9.13689 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 7.93307 9.88912 12.3926 10.8288 8.52194 18.5427 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 7.93307 9.46218 6.41455 10.8288 8.52194 13.744 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 4.46402 9.98689 13.1897 5.54803 8.01191 9.54118 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 4.46402 5.93144 4.12949 5.54803 8.01191 10.5701 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 4.97597 8.46317 10.6576 9.22406 9.79225 16.119 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.84716 8.99777 9.59768 3.82682 8.11956 8.92335 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 5.88987 7.32974 9.59768 4.84679 8.11956 8.92335 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.62128 5.97886 3.52454 13.6719 9.44905 12.0396 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 7.62128 5.97886 3.52454 10.6036 4.95355 8.15495 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.99274 6.90472 5.99357 11.0725 7.8339 4.76164 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.27812 6.48382 10.0357 9.64323 9.96942 14.8852 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 7.67597 9.87477 10.3925 11.0763 8.05048 15.8826 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 9.09717 8.08382 3.54121 5.74706 8.74892 6.89373 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.71214 8.17436 7.67746 4.06566 7.89324 5.55176 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.71214 8.17436 7.67746 4.06566 7.89324 5.55176 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.71214 8.17436 7.67746 4.06566 7.89324 5.55176 numMergedOcc 0
