0 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 6.09918 7.94662 8.78328 4.50502 10.8992 5.96833 7.27254 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 9.78006 3.98483 7.98363 5.84314 5.8245 9.71516 7.05919 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 9.78006 3.98483 10.4204 5.84314 5.8245 9.81658 7.05919 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 8.44506 13.2876 8.13684 7.11305 14.8317 9.96121 6.38243 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 5.69955 10.6756 4.80984 8.25132 13.6027 5.84066 6.73167 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.34347 9.16962 11.887 5.69955 10.6756 4.80984 4.94205 12.8365 11.8063 7.40948 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.27383 6.37648 9.17656 4.00553 9.08221 10.1478 6.87028 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 7.27383 6.37648 10.8775 4.00553 9.08221 10.7327 6.87028 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 6.61823 6.08245 10.4141 5.31547 10.9241 13.3865 6.98037 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.33898 8.36431 10.9701 6.61823 6.08245 10.4141 4.3481 7.06939 10.5758 6.9223 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.33898 8.36431 10.9701 6.49956 6.86728 4.36639 4.3481 7.06939 10.5758 7.0561 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 9.64443 8.36431 12.4284 6.61823 7.24315 10.4141 5.31547 9.36001 13.3865 6.98037 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 9.64443 8.36431 12.4284 6.61823 7.24315 10.4141 4.3481 12.4681 10.5758 6.9223 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 9.64443 8.36431 12.4284 6.49956 12.163 4.36639 4.3481 12.4681 10.5758 7.0561 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.72642 5.61704 5.87507 5.03039 6.04595 13.0432 8.4965 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 5.03039 10.5599 13.0432 8.4965 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 5.03039 11.8378 13.0432 8.4965 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 6.9194 12.31 6.55202 9.6121 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 9.68677 7.64052 9.08536 9.57341 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 9.46588 5.5703 5.83002 10.7549 11.4624 9.93613 8.66815 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 8.57203 14.4508 12.3382 6.78801 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 12.6005 14.4508 12.3382 6.78801 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 12.6005 14.4508 20.4658 6.78801 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 16.4114 14.3561 15.8119 8.48313 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 12.8086 11.0808 14.0978 6.99345 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 7.41373 9.33094 11.7151 5.11043 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 16.4114 9.71716 15.8119 8.48313 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 12.8086 9.1998 14.0978 6.99345 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 7.41373 8.69531 11.7151 5.11043 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.92088 10.1489 7.07052 6.42973 7.06025 12.6109 8.25282 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 6.43573 8.96511 5.96647 4.92088 8.27339 7.07052 6.42973 10.0638 12.6109 8.25282 numMergedOcc 0
31 mol 178 unq 2 iso 0 dist 7.17202 8.96511 12.075 4.92088 9.79302 7.07052 6.42973 13.2692 12.6109 8.25282 numMergedOcc 0
32 mol 178 unq 3 iso 0 dist 8.81551 8.96511 9.92132 4.92088 8.65097 7.07052 6.42973 15.0672 12.6109 8.25282 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 9.40098 8.19953 8.64911 8.37597 6.77927 8.5129 5.13732 11.2501 5.73591 8.54702 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 6.61986 8.19953 10.7113 8.37597 4.59567 8.5129 5.13732 8.08349 5.73591 8.54702 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 4.1511 9.91384 7.79951 5.28771 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 4.69247 9.91384 10.4959 5.28771 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 4.69247 9.91384 7.79951 5.28771 numMergedOcc 0
38 mol 227 unq 3 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 5.73883 12.2073 12.1795 9.71916 numMergedOcc 0
39 mol 227 unq 4 iso 0 dist 7.09863 8.17891 9.13836 8.38865 12.9587 5.92529 4.1511 10.3016 7.79951 5.28771 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 8.50331 7.22918 11.6774 11.5307 16.0783 14.3086 9.14068 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 8.50331 9.05842 11.6774 11.5307 16.07 14.3086 9.14068 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 8.50331 7.00028 11.6774 11.5307 10.0129 14.3086 9.14068 numMergedOcc 0
