0 mol 44 unq 0 iso 0 dist 8.60575 7.5356 8.28079 5.01912 6.11574 7.74211 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.49371 6.4157 7.63813 11.3498 9.26231 4.96793 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 5.05941 7.10225 7.63813 8.10722 9.26231 4.96793 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 9.66942 5.96906 7.63813 5.66928 9.26231 4.96793 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.05293 4.39945 6.00684 10.5363 9.8089 8.68717 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.55654 11.8901 9.90769 12.3414 7.9309 7.97948 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 7.56048 4.35688 6.17381 6.08354 4.62366 7.37385 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 5.13315 5.57652 6.3247 5.2781 9.15159 9.311 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 9.94668 8.10032 9.23587 7.73766 4.59484 5.07414 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 5.91901 7.79406 8.27545 5.88368 5.83093 5.31675 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 8.48834 6.70623 9.50443 7.16819 9.1732 8.78068 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 7.90944 6.23034 6.77267 14.6255 7.10828 11.0259 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 6.0854 6.96883 8.82741 5.52989 8.1195 11.6124 numMergedOcc 0
13 mol 243 unq 1 iso 0 dist 6.0854 7.37893 4.88105 5.52989 8.1195 11.0067 numMergedOcc 0
14 mol 243 unq 2 iso 0 dist 6.0854 13.8237 9.44057 5.52989 8.1195 16.3085 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.64956 8.73613 5.86702 11.4415 9.65711 5.06393 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.36667 8.0951 9.10723 4.72279 8.71966 8.86627 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 6.74021 4.30447 7.81641 5.33357 8.52827 6.68699 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 6.74021 4.30447 7.81641 9.67694 7.14122 9.30565 numMergedOcc 0
