0 mol 24 unq 0 iso 0 dist 9.54519 8.70141 4.33963 13.2653 5.54419 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 8.70141 4.33963 5.80023 7.36323 9.24958 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.88413 5.97432 10.1525 5.59268 7.17969 6.90155 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.87281 5.97432 7.63409 6.17631 7.31767 5.81959 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.63928 5.97432 8.4666 6.17631 6.03987 5.81959 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.88695 9.70778 16.2725 5.3315 8.34347 12.1186 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.19021 6.15568 5.73693 4.18584 6.43774 6.06454 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 7.19021 6.15568 5.73693 9.0702 7.2846 9.44459 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 7.35142 8.67545 7.04013 4.93292 7.38797 11.0406 numMergedOcc 0
9 mol 71 unq 1 iso 0 dist 7.35142 7.23173 6.6504 4.93292 7.38797 7.77916 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 7.74197 8.87924 5.31226 4.0486 9.36773 12.1018 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 7.86537 8.87924 9.61103 4.0486 8.31336 12.1018 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.15985 7.98999 3.98564 6.68714 9.60462 7.23962 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.15985 7.98999 3.98564 6.71889 7.45389 7.30204 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.18763 6.1835 5.75886 5.3154 6.18601 9.66471 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.44385 6.1835 8.65129 12.1192 9.87172 15.6203 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 5.63005 6.1835 6.4739 10.5268 8.73993 14.7696 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 6.38163 7.56091 5.99437 8.61575 9.61051 13.8175 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 6.38163 7.56091 5.99437 10.0961 5.83384 11.7868 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 5.49877 7.39532 5.97111 3.96103 8.70949 8.33077 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 5.49877 6.62468 6.97875 3.96103 8.70949 10.3572 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 7.81337 7.27702 7.73656 11.4498 6.85062 13.311 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.86531 7.34386 8.6769 6.26797 7.11802 12.2715 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 5.86531 7.34386 8.6769 9.73435 8.00618 15.7259 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 5.59806 9.17387 5.48292 8.66436 9.87651 13.8512 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 8.62103 7.31388 9.59996 3.84723 6.18308 5.37446 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 5.66569 8.38439 7.00028 11.2013 9.99038 11.9847 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 5.66569 8.38439 7.00028 4.15973 6.27581 8.50331 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.71801 6.63662 13.9495 5.9882 7.56915 11.3913 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.71801 9.89698 10.0584 5.9882 7.56915 12.4996 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 9.71801 7.65671 5.90436 5.9882 7.56915 9.56685 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 9.71801 7.3996 9.27829 5.9882 7.56915 8.49922 numMergedOcc 0
