0 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 14.6778 8.03754 17.5911 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.78532 9.35453 7.42491 5.9674 9.47348 11.5449 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.9651 8.44761 10.0743 8.88456 9.40333 13.2276 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.9651 6.81124 6.20057 8.88456 9.40333 11.6989 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 6.77833 6.13606 4.36555 5.81368 9.74802 10.0684 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 9.83265 8.42287 4.36555 3.88245 9.74802 10.0684 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 9.88245 9.41191 17.7874 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 16.6927 9.1146 23.7184 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 15.0514 6.48328 11.0888 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 4.9155 7.85849 5.71679 12.4563 8.86784 11.6726 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 9.42271 6.08299 5.71679 10.9017 8.86784 11.6726 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 7.34207 8.85675 5.27847 6.84292 6.36439 10.5028 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 5.21803 8.27017 5.8736 5.58809 7.69229 10.9337 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 9.55713 6.94789 15.9712 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 6.11505 6.79634 11.6232 9.51216 6.23932 12.8727 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 8.95071 5.27184 9.52712 5.81446 5.90804 5.91739 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 8.95071 7.98527 9.82639 5.81446 5.90804 10.9794 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.38793 7.64361 16.4697 9.78665 6.03235 16.2187 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 7.23956 6.71956 7.70529 10.2688 4.81916 9.35976 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.95849 8.25538 13.2859 5.51191 9.32175 12.8377 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.95849 8.25538 13.2859 5.51191 9.32175 12.8377 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.95849 8.25538 13.2859 5.51191 9.32175 12.8377 numMergedOcc 0
