0 mol 90 unq 0 iso 0 dist 7.63894 6.02596 4.67883 8.43244 7.54496 6.18681 numMergedOcc 0
1 mol 90 unq 1 iso 0 dist 6.17315 8.17454 4.67883 12.4268 7.54496 6.18681 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.46327 5.96189 5.99863 4.55399 7.85041 8.70794 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 8.28541 8.51084 12.2445 4.10604 9.41723 12.2574 numMergedOcc 0
4 mol 111 unq 1 iso 0 dist 8.28541 5.53271 3.75797 4.10604 9.41723 7.75479 numMergedOcc 0
5 mol 111 unq 2 iso 0 dist 5.61533 6.33923 4.26808 9.19878 7.92876 9.56723 numMergedOcc 0
6 mol 111 unq 3 iso 0 dist 5.61533 9.9801 10.1254 9.19878 7.92876 15.0217 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 8.56251 6.3472 8.56547 6.03496 5.98771 9.8525 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 6.78113 8.54982 7.2879 9.50216 8.89822 10.9853 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.67802 7.00382 8.54557 10.3571 7.94153 12.9302 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 7.44979 8.09863 8.42449 9.30421 8.50907 13.5659 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 6.98756 8.46486 5.61301 7.28957 7.37935 10.6711 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 7.84953 6.46335 11.2216 10.2089 6.86795 15.9417 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 7.84953 6.46335 11.2216 4.40481 6.61099 8.5244 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 8.24118 9.31268 14.2452 4.40826 9.42618 13.5433 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.6619 7.45508 9.78814 7.2107 5.45844 12.0365 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 5.6619 5.79883 5.22417 7.2107 5.45844 6.16848 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 7.82138 8.88629 10.4138 8.80846 6.57207 14.4158 numMergedOcc 0
