0 mol 7 unq 0 iso 0 dist 8.48743 9.17764 17.04 12.0561 17.8613 8.60435 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.9795 5.20528 9.29301 11.5334 7.1589 8.70863 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 6.21351 5.19438 5.04559 7.06723 5.92032 7.3964 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 8.86938 9.86487 18.0868 13.2927 21.6951 9.77017 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 7.42474 9.86487 5.76986 13.2927 13.6135 9.77017 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 11.1226 18.1091 7.82544 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.66715 9.29665 17.3196 8.01896 16.5366 6.18808 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 9.00172 9.29665 16.1302 11.1226 19.9981 7.82544 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 9.00172 9.29665 16.1302 8.01896 15.7571 6.18808 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.68975 7.85849 4.60632 17.112 13.6079 9.30061 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.84656 7.85849 5.29786 17.112 10.873 9.30061 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 4.9155 7.85849 5.71679 17.112 13.846 9.30061 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 9.42271 6.08299 5.71679 9.75179 13.846 9.30061 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.44195 8.85675 10.0639 6.03671 10.8041 6.51014 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 7.34207 8.85675 5.27847 6.03671 7.72144 6.51014 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.52413 8.76308 8.14815 7.72772 11.7123 5.45675 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.0639 6.0685 7.94756 8.49599 13.487 7.02575 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 6.91355 6.0685 7.02735 8.49599 10.5836 7.02575 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.66521 9.45021 9.98177 15.5048 16.6568 7.95359 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 8.49415 7.87337 13.6299 9.04612 17.4901 8.85062 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.13226 6.74022 5.29529 12.9095 9.56685 8.2997 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 6.63088 6.57903 7.85414 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 6.63088 11.5506 7.85414 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 7.23956 6.71956 7.70529 6.63088 12.7237 7.85414 numMergedOcc 0
