0 mol 37 unq 0 iso 0 dist 8.58982 11.5018 9.70008 14.6263 9.09432 5.98359 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 6.78356 5.81148 9.01516 11.2096 13.124 9.49909 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91206 14.1204 8.0534 14.0106 10.565 7.53504 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.91206 14.1204 8.0534 10.0291 10.0209 8.66342 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.91206 14.1204 8.0534 9.27331 6.28525 7.21285 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.91206 14.1204 8.0534 13.8777 5.32605 6.95094 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.67513 15.8898 8.0534 19.1334 10.565 7.53504 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.67513 15.8898 8.0534 18.2094 10.0209 8.66342 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 8.67513 15.8898 8.0534 14.6779 6.28525 7.21285 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 8.67513 15.8898 8.0534 11.7293 5.32605 6.95094 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 9.12738 4.20293 9.01452 6.328 3.69759 7.23435 numMergedOcc 0
11 mol 75 unq 0 iso 0 dist 6.59253 9.00615 5.50645 11.8835 7.01551 8.47302 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.73842 7.22809 6.07991 5.31281 10.9798 8.592 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.68174 13.0938 9.31118 19.3576 12.3511 9.40608 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 6.76315 4.92164 6.86657 7.69421 4.76844 9.82833 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 4.97005 9.36078 5.31166 12.8706 8.13761 8.09373 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 7.22 9.36078 9.10393 12.8706 7.15821 8.09373 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.23919 10.8844 9.27651 8.44004 5.18278 5.98076 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.60925 4.80815 9.61475 8.23246 9.38497 7.0166 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.60925 4.80815 9.61475 12.6228 12.2857 8.75468 numMergedOcc 0
20 mol 220 unq 2 iso 0 dist 7.60925 9.19827 9.68034 12.6228 12.2857 8.60479 numMergedOcc 0
21 mol 220 unq 3 iso 0 dist 7.60925 11.6562 8.1579 13.3558 5.96592 7.96032 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 6.40153 6.40309 7.25321 11.1793 6.75927 8.64393 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 6.20912 5.91745 7.25321 11.1281 6.75927 8.64393 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.84798 16.3239 7.84195 23.8835 15.0876 7.88102 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.84798 16.3239 7.84195 22.3519 13.7974 7.93694 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 7.5355 4.77763 5.65882 5.78017 7.91886 8.36655 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 7.88343 5.44699 5.65882 6.12742 7.91886 8.36655 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 7.58292 5.50235 8.92291 11.697 8.43368 9.61122 numMergedOcc 0
