0 mol 18 unq 0 iso 0 dist 8.95573 7.81434 9.74802 4.86477 8.09187 5.79003 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.16769 8.95822 8.23162 10.0645 8.61815 4.61111 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.94447 11.7007 8.55666 4.8668 5.45882 8.60758 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 8.94447 11.7007 8.55666 8.60367 4.57487 7.49297 numMergedOcc 0
4 mol 113 unq 2 iso 0 dist 8.94447 9.26549 8.45284 4.8668 5.45882 5.85846 numMergedOcc 0
5 mol 113 unq 3 iso 0 dist 8.94447 9.26549 8.45284 8.60367 4.57487 5.23629 numMergedOcc 0
6 mol 113 unq 4 iso 0 dist 8.94447 12.6498 7.77845 4.8668 5.45882 10.3632 numMergedOcc 0
7 mol 113 unq 5 iso 0 dist 8.94447 12.6498 7.77845 8.60367 4.57487 9.86085 numMergedOcc 0
8 mol 113 unq 6 iso 0 dist 8.94447 18.0659 9.43828 4.8668 5.45882 14.0625 numMergedOcc 0
9 mol 113 unq 7 iso 0 dist 8.94447 18.0659 9.43828 8.60367 4.57487 11.2311 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6785 13.853 9.31512 8.14095 5.96977 6.06647 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 9.6785 5.5081 8.40088 8.14095 5.96977 6.93927 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 7.09847 13.0531 9.03971 4.23511 9.46392 13.4601 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.58245 7.6839 9.47487 4.05539 9.6071 11.3271 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 6.58245 7.6839 9.47487 9.33865 9.77656 15.4113 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 6.11919 7.19605 6.80916 5.18947 6.07371 5.15503 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 6.11919 7.19605 6.80916 8.28362 7.98532 4.15106 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 8.75957 11.2974 6.61098 17.1788 8.56867 11.3526 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 8.75957 11.2974 6.61098 15.0574 6.29872 8.93485 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 8.75957 14.3662 6.25794 17.1788 8.56867 6.26054 numMergedOcc 0
20 mol 264 unq 3 iso 0 dist 8.75957 14.3662 6.25794 15.0574 6.29872 3.81537 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.70421 7.77225 5.6513 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 8.70062 12.463 9.99897 9.73619 5.50067 9.53574 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.70421 7.77225 5.6513 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 8.70062 12.463 9.99897 9.73619 5.50067 9.53574 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 8.70062 12.463 9.99897 7.70421 7.77225 5.6513 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 8.70062 12.463 9.99897 9.73619 5.50067 9.53574 numMergedOcc 0
