0 mol 2 unq 0 iso 0 dist 7.58285 8.3726 13.355 6.07772 8.80146 12.0861 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 8.23849 8.34115 8.12741 3.89663 8.05514 11.329 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.16531 9.44156 12.4215 6.38065 7.8435 7.24956 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 8.16531 9.44156 12.4215 9.63231 5.99269 11.5899 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 8.16531 9.44156 12.4215 13.1685 5.71763 16.7505 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.00443 8.76245 14.9051 7.59527 9.82982 9.92057 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 5.14185 8.82481 11.6193 5.35456 8.999 9.68512 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 7.89418 9.40138 11.8199 5.42667 9.79338 14.6838 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 9.96034 9.84239 7.84639 19.5127 9.79338 15.9016 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 9.96034 9.1728 11.4731 19.5127 9.79338 20.2391 numMergedOcc 0
10 mol 176 unq 3 iso 0 dist 9.96034 8.0255 12.0573 19.5127 9.79338 20.9566 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.7062 4.93303 7.1653 9.57152 7.53395 11.4354 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.7062 9.95859 17.7558 9.57152 7.53395 18.1798 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.8679 8.96442 5.46009 5.66276 8.04838 12.3613 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 6.86851 9.62914 8.20635 5.84974 7.07833 13.6174 numMergedOcc 0
15 mol 230 unq 1 iso 0 dist 6.86851 9.73038 15.7685 5.84974 7.07833 14.987 numMergedOcc 0
16 mol 237 unq 0 iso 0 dist 7.61091 9.79219 8.0982 11.9278 8.7414 14.7819 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.30709 4.76164 4.05076 14.0954 9.65775 9.73217 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 7.30709 4.76164 4.05076 4.58993 9.50634 7.49606 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 4.92907 8.50998 5.72469 4.95754 7.49391 10.8694 numMergedOcc 0
