0 mol 27 unq 0 iso 0 dist 8.91798 9.75252 7.94369 5.33296 8.69158 9.93104 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.91798 5.27118 6.68853 5.33296 8.69158 8.05628 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 8.67055 8.16102 10.3125 12.1866 11.5897 8.05628 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 8.54422 9.75252 9.72913 5.33296 10.7968 9.93104 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 8.54422 5.27118 6.2181 5.33296 10.7968 8.05628 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 6.25236 8.16102 6.2181 12.1866 10.7968 8.05628 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 8.99557 9.942 6.54685 14.9992 10.0007 8.06964 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 8.99557 9.942 6.54685 9.89704 8.55031 5.2568 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 8.67331 8.77395 3.56868 9.62261 10.2998 9.07741 numMergedOcc 0
9 mol 55 unq 1 iso 0 dist 8.67331 6.91288 3.53986 9.62261 10.2998 8.0388 numMergedOcc 0
10 mol 55 unq 2 iso 0 dist 8.67331 8.60087 7.94035 9.62261 10.2998 9.7883 numMergedOcc 0
11 mol 55 unq 3 iso 0 dist 8.50163 8.77395 10.8666 9.62261 10.2889 9.07741 numMergedOcc 0
12 mol 55 unq 4 iso 0 dist 8.50163 6.91288 5.44338 9.62261 10.2889 8.0388 numMergedOcc 0
13 mol 55 unq 5 iso 0 dist 8.50163 8.60087 13.8903 9.62261 10.2889 9.7883 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 9.56049 6.72584 9.78009 11.9679 10.0598 9.55089 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 9.56049 7.25594 4.4399 4.21416 8.95808 7.88522 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 9.56049 7.25594 4.4399 11.9679 10.0598 7.22942 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.75007 7.84085 8.87194 10.9634 11.3584 6.30568 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 7.6395 8.99827 9.13918 6.5387 12.0644 7.53552 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 7.67343 8.97634 9.12533 6.67151 12.1846 7.49948 numMergedOcc 0
20 mol 153 unq 0 iso 0 dist 8.30572 5.17415 10.4694 6.75709 11.1444 8.16336 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.83021 7.93815 5.18174 9.13263 9.86348 8.51947 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.99476 8.26365 12.4675 5.28998 8.92332 7.89784 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 8.99476 8.26365 12.4675 11.1022 18.658 7.83983 numMergedOcc 0
