0 mol 1 unq 0 iso 0 dist 5.65716 6.44928 6.09918 12.6791 7.94662 9.00903 9.44115 8.78328 8.56884 9.01967 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 13.0231 3.98483 8.57077 9.79973 7.98363 6.85412 8.27962 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.93613 11.7623 9.78006 13.0231 3.98483 8.57077 6.95341 10.4204 6.33889 11.4878 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 9.87281 7.63409 7.31767 13.4756 9.96732 7.685 8.43188 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.97432 6.17631 5.81959 7.63928 8.4666 6.03987 13.4756 9.96732 7.685 10.3635 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 10.8071 10.6756 8.34347 8.62693 4.80984 9.16962 11.887 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 15.7585 10.6756 8.34347 13.0944 4.80984 9.16962 11.887 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.46609 13.1626 8.44506 20.5634 13.2876 8.34347 14.7696 8.13684 6.73162 7.23546 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.15568 4.18584 6.06454 7.19021 5.73693 6.43774 9.61766 5.94047 7.06308 4.71384 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 6.15568 9.0702 9.44459 7.19021 5.73693 7.2846 9.61766 5.94047 6.34173 4.71384 numMergedOcc 0
10 mol 45 unq 2 iso 0 dist 6.15568 9.0702 9.44459 14.4598 11.6164 7.58835 9.61766 5.94047 6.34173 5.67689 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 5.33314 11.4573 8.71039 11.0728 5.89022 7.12972 11.9701 8.15392 8.6243 6.19596 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.4673 4.27736 5.4969 12.4261 12.3408 9.29945 12.4545 11.4433 9.52634 9.11521 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 9.12296 4.27736 7.35824 12.4261 12.5754 9.29945 12.4545 6.05776 9.52634 9.11521 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 15 11.0628 7.22101 11.6985 5.92529 8.17891 6.43754 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 17.8923 12.9587 7.09863 11.6985 5.92529 8.17891 9.13836 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 15 11.0628 8.65997 8.42382 5.23507 9.62609 14.6185 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 15 11.0628 8.65997 11.6985 5.92529 6.95902 6.43754 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 8.38439 4.15973 8.50331 12.3675 7.22918 9.81562 6.98151 11.6774 5.34718 11.8759 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 8.38439 4.15973 8.50331 11.0771 9.05842 7.68742 6.98151 11.6774 5.34718 11.3552 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 8.38439 4.15973 8.50331 5.66569 7.00028 6.27581 6.98151 11.6774 5.34718 6.04825 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 8.60979 9.38679 9.19033 15.9687 10.26 9.97651 10.8037 11.8912 9.09992 10.841 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 8.60979 9.38679 9.19033 15.9687 10.26 9.97651 11.86 6.56154 6.16449 4.72202 numMergedOcc 0
23 mol 272 unq 2 iso 0 dist 8.60979 9.38679 9.19033 14.5021 13.5034 8.46116 10.8037 11.8912 9.09992 5.63139 numMergedOcc 0
24 mol 272 unq 3 iso 0 dist 8.60979 9.38679 9.19033 14.5021 13.5034 8.46116 11.86 6.56154 6.16449 8.52877 numMergedOcc 0
