0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 12.7597 9.19007 9.64573 13.8238 7.02374 12.7627 7.92928 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 12.7599 9.6994 6.58151 6.26831 6.34883 10.1803 10.3034 10.9812 7.48645 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 13.3337 7.15528 6.58151 6.26831 9.19662 10.1803 10.3034 14.3013 7.48645 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19621 9.95 9.6994 8.69991 6.26831 6.34883 15.678 10.3034 10.9812 7.48645 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 6.83587 7.15528 8.69991 6.26831 9.19662 15.678 10.3034 14.3013 7.48645 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 10.9798 6.34525 11.128 13.4874 5.31367 12.383 8.06525 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 16.5854 8.56342 4.91132 19.2082 10.0197 14.0269 9.87025 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 16.5854 8.56342 4.91132 19.0836 10.6679 9.63176 5.85818 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 13.3078 9.29384 9.32969 13.3545 7.00551 11.0153 9.39683 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 10.6416 9.29384 9.32969 13.1338 7.00551 11.0153 9.39683 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 15.1521 7.35824 12.5754 18.3157 11.1651 15.9448 7.01126 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 13.624 9.17364 10.0424 18.3157 11.1651 15.9448 6.58434 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 5.49143 4.92088 10.1489 5.20764 5.25267 10.5498 5.98771 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 5.49143 4.92088 8.27339 5.20764 5.25267 11.4139 5.98771 numMergedOcc 0
14 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 5.49143 4.92088 9.79302 5.20764 5.25267 10.2288 5.98771 numMergedOcc 0
15 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 5.49143 4.92088 8.65097 5.20764 5.25267 11.4815 5.98771 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 5.20422 6.38157 7.38025 6.35728 6.67959 10.852 5.10114 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 5.20422 6.38157 9.35273 6.35728 6.67959 12.6888 5.10114 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 8.49704 10.644 8.85478 5.20422 6.38157 5.63388 6.35728 6.67959 7.46831 5.10114 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 7.69431 8.03442 10.2525 8.34104 6.43754 12.4085 7.1372 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 7.69431 8.03442 10.5813 8.34104 6.43754 8.17891 7.1372 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 7.69431 8.03442 7.22396 8.34104 6.43754 6.95902 7.1372 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 7.69431 8.03442 6.10296 8.34104 6.43754 11.004 7.1372 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 7.69431 8.03442 9.69537 8.34104 6.43754 12.8864 7.1372 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 16.0652 7.32982 12.3808 14.6283 8.85181 13.9989 9.42618 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 5.56719 5.96552 5.72887 11.468 7.32982 12.3808 11.0241 8.85181 13.9989 9.42618 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 13.6686 8.55558 5.60748 9.27954 5.79468 7.48005 6.39918 numMergedOcc 0
