0 mol 1 unq 0 iso 0 dist 7.68779 4.86523 6.86701 9.56692 5.11735 5.96833 8.19374 10.488 4.50502 8.56884 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.79099 9.05986 5.65084 12.893 7.04695 5.04478 13.443 11.103 6.11048 8.52106 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.79099 9.05986 5.65084 12.893 7.04695 5.04478 12.8146 9.94539 4.52259 6.32451 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.04193 7.43516 9.97769 13.037 10.3598 8.13051 11.3723 12.6159 6.07871 8.81638 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.15486 7.43516 9.08221 13.037 11.6697 8.13051 11.3723 14.5434 6.07871 8.81638 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.89185 6.12049 8.65848 5.86276 5.22036 5.47706 5.46279 11.2771 4.77202 8.30646 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.89185 4.94803 7.25801 5.86276 5.22036 8.89842 5.46279 11.2771 8.12982 8.30646 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 7.80757 8.07529 6.85523 8.16546 4.92509 5.47706 11.3763 11.3054 4.77202 8.30646 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 7.80757 12.9164 5.77326 8.16546 4.92509 8.07568 11.3763 11.3054 11.8801 8.30646 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 5.5849 8.07529 8.65848 8.16546 5.22036 5.47706 11.3763 11.2771 4.77202 8.30646 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 5.5849 6.52163 7.25801 8.16546 5.22036 8.89842 11.3763 11.2771 8.12982 8.30646 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 9.2835 14.1127 6.85523 13.9157 4.92509 5.47706 18.5668 11.3054 4.77202 8.30646 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 9.2835 7.94748 5.77326 13.9157 4.92509 8.07568 18.5668 11.3054 11.8801 8.30646 numMergedOcc 0
13 mol 78 unq 8 iso 0 dist 5.02591 10.5433 6.85523 9.94668 4.92509 5.47706 15.274 11.3054 4.77202 8.30646 numMergedOcc 0
14 mol 78 unq 9 iso 0 dist 5.02591 7.00354 5.77326 9.94668 4.92509 8.07568 15.274 11.3054 11.8801 8.30646 numMergedOcc 0
15 mol 78 unq 10 iso 0 dist 8.75605 13.4429 8.65848 12.6977 5.22036 5.47706 16.7983 11.2771 4.77202 8.30646 numMergedOcc 0
16 mol 78 unq 11 iso 0 dist 8.75605 10.7757 7.25801 12.6977 5.22036 8.89842 16.7983 11.2771 8.12982 8.30646 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.59784 13.4766 7.64052 17.9689 10.0197 6.13374 18.9741 12.6489 6.20019 6.19042 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.59784 13.4766 7.64052 17.9689 10.0197 6.13374 14.1714 9.72413 4.39676 8.43904 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.59784 13.4766 7.64052 17.222 10.6679 9.08536 21.1726 16.7981 14.443 7.39889 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 8.59784 13.4766 7.64052 17.222 10.6679 9.08536 9.70986 8.73993 9.68677 9.63176 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 8.59784 13.4766 7.64052 17.222 10.6679 9.08536 18.9741 12.6489 6.20019 7.44174 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.72463 7.21648 7.36975 12.3708 6.01455 7.05845 14.2717 10.6877 7.63293 7.31468 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 8.72463 7.21648 7.36975 12.3708 6.01455 7.05845 18.558 12.7524 11.903 7.7056 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 9.49122 5.2908 9.27218 15.7335 11.6759 17.0276 8.99696 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.83122 12.8946 7.46481 6.74861 6.67959 8.70987 6.75833 8.85478 11.1534 7.46831 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 6.83122 12.8946 7.46481 6.74861 6.67959 8.70987 14.183 11.9355 7.19184 8.60247 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.2521 12.95 9.08509 12.0613 5.17471 5.43613 12.8083 6.22714 12.7938 7.49471 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.2521 12.95 9.08509 12.0613 5.17471 5.43613 10.1821 7.31233 11.0772 7.19008 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.47382 11.8307 5.85442 15.0738 5.79468 6.23661 13.8605 7.46176 10.067 7.48005 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.47382 11.8307 5.85442 15.0738 5.79468 6.23661 18.5731 11.858 7.09907 8.37865 numMergedOcc 0
