0 mol 26 unq 0 iso 0 dist 7.54282 7.53125 9.90986 7.23962 9.06516 6.77783 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.54282 7.53125 9.90986 7.95969 9.96121 11.7823 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.21811 8.69745 6.56549 3.71754 6.78936 6.72058 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.91835 12.2694 5.33961 10.3737 4.44979 4.45424 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.91835 6.24264 9.29816 10.3737 4.44979 9.31771 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.91835 12.5185 5.08983 10.3737 4.44979 9.47873 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.29692 11.7413 8.3505 9.55475 6.61111 12.8333 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 7.6935 12.6877 5.33961 11.1769 4.44979 4.45424 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 7.6935 11.6464 9.29816 11.1769 4.44979 9.31771 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 7.6935 6.39965 5.08983 11.1769 4.44979 9.47873 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 8.71558 16.3787 8.3505 11.1769 6.61111 12.8333 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.79263 5.20786 5.90003 6.21945 6.55202 6.02826 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.09831 9.11409 9.76097 7.11305 8.50705 6.11049 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.61511 11.6041 9.13697 7.49514 5.52149 5.90631 numMergedOcc 0
14 mol 144 unq 0 iso 0 dist 7.83328 11.229 7.46026 4.587 9.09684 13.6501 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.38297 10.33 6.48993 6.77802 7.30954 4.0737 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 6.89441 10.186 6.0033 12.7975 9.27218 4.40086 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.97859 6.89134 6.96382 12.4402 7.39547 13.1765 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.97859 6.89134 6.96382 10.4365 7.24334 8.92175 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 5.97717 12.9101 9.01651 6.56856 8.53041 14.1218 numMergedOcc 0
20 mol 247 unq 1 iso 0 dist 5.97717 7.97824 8.83903 6.56856 8.53041 9.55655 numMergedOcc 0
