0 mol 20 unq 0 iso 0 dist 6.30355 6.13068 7.68085 9.4232 7.55864 4.49708 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.02975 6.13068 8.45034 9.4232 9.33568 4.49708 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 4.44406 12.345 9.52295 9.36678 9.97844 9.54412 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 8.68377 5.88705 4.7864 13.6027 7.92196 7.88793 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 6.63089 3.47775 4.7864 9.42667 7.92196 7.88793 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.99541 11.3005 8.79457 9.20676 7.40801 15.8461 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 7.99541 4.31442 9.25264 9.20676 7.40801 7.57208 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 9.54356 13.1196 9.91824 14.0417 8.49775 4.93796 numMergedOcc 0
8 mol 89 unq 1 iso 0 dist 8.63062 9.72874 9.91824 12.0626 8.49775 4.93796 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.64066 9.18926 6.84082 4.30029 7.48283 6.87017 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.64066 11.2623 8.66256 4.30029 7.48283 10.0173 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 9.64066 9.29912 8.08194 4.30029 7.48283 5.23504 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 9.64066 16.3041 9.89622 4.30029 7.48283 12.6234 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.61323 5.91575 9.91321 11.3093 7.33646 10.7482 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.98057 10.2381 6.18881 9.41416 6.48738 5.05068 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.98057 7.48119 9.35927 9.41416 6.48738 6.83365 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.95282 4.02916 9.05875 10.0214 5.10016 11.0048 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.59468 5.07198 6.02521 4.80435 9.27398 5.24297 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 6.16117 7.07563 5.89063 6.67746 6.50869 8.96314 numMergedOcc 0
19 mol 247 unq 1 iso 0 dist 6.16117 7.07563 5.89063 9.74878 9.54682 5.39204 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.42773 6.00285 4.98888 10.7991 8.14526 5.45575 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.42773 6.00285 4.98888 13.0438 7.75803 7.04297 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 8.42773 6.00285 4.98888 4.98212 7.94491 6.13878 numMergedOcc 0
