0 mol 39 unq 0 iso 0 dist 6.50983 8.13434 7.99016 11.6588 8.55553 5.84083 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.50983 8.13434 7.99016 5.25652 5.00813 6.92307 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 6.50983 9.18004 6.41793 11.6588 8.55553 5.16873 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 6.50983 9.18004 6.41793 5.25652 5.00813 7.52517 numMergedOcc 0
4 mol 39 unq 4 iso 0 dist 6.50983 8.87798 6.50101 11.6588 8.55553 3.08793 numMergedOcc 0
5 mol 39 unq 5 iso 0 dist 6.50983 8.87798 6.50101 5.25652 5.00813 4.6056 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.32155 10.4149 7.15901 14.0484 9.82307 5.14161 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.26179 15.7193 7.69861 11.7078 8.59337 9.21869 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.26179 15.7193 7.69861 16.0942 7.66942 6.06973 numMergedOcc 0
9 mol 74 unq 0 iso 0 dist 8.46846 13.5316 7.94725 11.8009 8.42173 7.98596 numMergedOcc 0
10 mol 74 unq 1 iso 0 dist 7.37827 4.43101 7.94725 3.80878 8.42173 7.98596 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 6.69262 9.40112 7.26995 10.6239 5.9281 3.65203 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.52352 10.8782 7.16698 9.72694 8.56866 3.37746 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.52352 10.8782 7.16698 10.7652 5.66207 8.92479 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 7.52352 9.42107 8.68663 9.72694 8.56866 8.45583 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 7.52352 9.42107 8.68663 10.7652 5.66207 5.94217 numMergedOcc 0
16 mol 143 unq 4 iso 0 dist 7.23619 12.018 8.68663 9.96149 8.56866 8.45583 numMergedOcc 0
17 mol 143 unq 5 iso 0 dist 7.23619 12.018 8.68663 7.81193 5.66207 5.94217 numMergedOcc 0
18 mol 143 unq 6 iso 0 dist 7.23619 6.75596 7.16698 9.96149 8.56866 3.37746 numMergedOcc 0
19 mol 143 unq 7 iso 0 dist 7.23619 6.75596 7.16698 7.81193 5.66207 8.92479 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 8.15524 3.96267 6.11331 10.7405 8.06621 11.6769 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 7.55147 4.93673 7.17037 13.7538 9.02222 11.5009 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.84316 6.26268 8.17226 4.52436 7.88501 4.46688 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 6.84316 6.26268 8.17226 5.94727 9.09585 4.9849 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.98533 8.40761 7.79115 5.20357 6.18257 3.42559 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 7.5552 4.44853 9.62911 7.73082 7.56327 8.61517 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 5.63728 4.5781 8.49032 7.3757 8.38298 10.9434 numMergedOcc 0
