0 mol 34 unq 0 iso 0 dist 8.36524 7.66913 7.86199 10.0272 7.18022 12.8273 5.39587 4.55481 9.12176 7.01952 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.36524 7.66913 7.86199 6.65242 6.24711 10.5579 5.39587 4.55481 9.12176 4.58552 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 9.35453 10.7805 6.59001 6.66407 13.7086 13.8606 11.4153 15.419 9.50614 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 9.35453 10.7805 6.59001 6.66407 13.7086 10.8355 4.96926 15.6707 8.34145 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 7.83378 7.07971 14.1491 8.00085 5.00433 5.79394 9.09348 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.42474 8.65004 12.2656 6.59976 5.56994 10.1088 10.281 6.09562 10.0279 7.31064 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.42474 9.86487 5.76986 6.59976 5.56994 6.11407 10.281 6.09562 10.4943 7.31064 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.5055 8.91143 5.81428 6.30012 7.22643 11.9279 10.7738 4.88025 9.91154 7.48208 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 15.9796 7.93372 9.0176 14.395 10.8635 6.93712 8.62504 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 5.21803 8.27017 5.8736 4.6728 7.37333 12.2437 9.71155 5.65603 10.518 9.43904 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 5.21803 8.27017 5.8736 7.06734 7.45998 13.1079 9.71155 5.65603 10.518 7.01095 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 12.0822 6.49765 18.0562 15.0907 8.97813 20.0524 5.03818 numMergedOcc 0
12 mol 273 unq 0 iso 0 dist 9.79022 6.59092 7.81483 4.3735 6.31969 5.61969 12.7672 10.2693 10.5462 9.02537 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 10.3171 9.57499 9.26157 9.22453 11.2997 6.64795 7.16209 numMergedOcc 0
14 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 10.3171 5.46926 9.26157 9.22453 4.40029 6.64795 7.16209 numMergedOcc 0
15 mol 277 unq 2 iso 0 dist 8.53324 6.71956 4.37645 10.6814 5.13913 9.11117 9.22453 4.40029 6.64795 4.62936 numMergedOcc 0
16 mol 277 unq 3 iso 0 dist 7.23956 6.71956 7.70529 10.3171 8.9682 9.26157 9.22453 3.97543 6.64795 7.16209 numMergedOcc 0
17 mol 277 unq 4 iso 0 dist 7.23956 6.71956 7.70529 10.6814 6.92711 9.11117 9.22453 3.97543 6.64795 4.62936 numMergedOcc 0
