0 mol 12 unq 0 iso 0 dist 8.34132 6.13614 7.96154 13.2743 7.10076 9.64703 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.57204 7.25365 7.72069 10.2097 4.91651 6.61704 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.00504 5.86904 6.61704 10.1925 4.91651 7.72069 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.69782 12.7376 8.51894 7.69888 3.83043 8.27592 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.69888 12.7376 8.27592 8.69782 3.83043 8.51894 numMergedOcc 0
5 mol 69 unq 2 iso 0 dist 9.35592 5.09333 8.51894 9.6155 3.83043 8.27592 numMergedOcc 0
6 mol 69 unq 3 iso 0 dist 9.6155 5.09333 8.27592 9.35592 3.83043 8.51894 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 9.95424 5.10388 7.75237 9.05218 8.67175 4.87423 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.81722 17.1706 7.84699 12.2576 5.47475 8.40844 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.81722 17.1706 7.84699 14.0017 5.05066 6.99156 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.81722 11.3142 7.53504 12.2576 5.47475 8.66342 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 9.81722 11.3142 7.53504 14.0017 5.05066 7.21285 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 9.81722 11.3142 7.53504 16.5571 9.51715 6.95094 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 8.27446 10.116 8.40844 12.9325 5.47475 7.84699 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.27446 10.116 8.40844 9.76332 4.4628 6.99156 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 8.27446 15.6804 8.66342 12.9325 5.47475 7.53504 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 8.27446 15.6804 8.66342 9.76332 4.4628 7.21285 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 8.27446 15.6804 8.66342 16.6864 11.6754 6.95094 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 9.76332 10.116 6.99156 12.9325 5.05066 7.84699 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 9.76332 10.116 6.99156 8.27446 4.4628 8.40844 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 9.76332 15.6804 7.21285 12.9325 5.05066 7.53504 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 9.76332 15.6804 7.21285 8.27446 4.4628 8.66342 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 9.76332 15.6804 7.21285 16.6864 7.64038 6.95094 numMergedOcc 0
23 mol 76 unq 0 iso 0 dist 9.27114 14.1307 8.62536 13.9306 4.73776 7.93891 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 8.97109 7.81617 8.6728 16.4046 12.1484 9.36989 numMergedOcc 0
25 mol 102 unq 0 iso 0 dist 8.63253 5.89461 9.61113 5.15752 7.56811 7.59973 numMergedOcc 0
26 mol 102 unq 1 iso 0 dist 5.15752 5.89461 7.59973 8.63253 7.56811 9.61113 numMergedOcc 0
27 mol 173 unq 0 iso 0 dist 8.68723 6.54119 7.13369 11.4988 13.1862 9.17063 numMergedOcc 0
28 mol 173 unq 1 iso 0 dist 8.68723 6.54119 7.13369 11.8831 11.2682 9.99332 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.60482 6.0983 4.35909 11.6915 8.67658 5.77393 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 8.05967 4.38116 5.66519 9.62613 5.2966 6.50067 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 9.62613 4.38116 6.50067 8.05967 5.2966 5.66519 numMergedOcc 0
32 mol 249 unq 2 iso 0 dist 8.75137 8.24395 5.66519 7.82699 5.2966 6.50067 numMergedOcc 0
33 mol 249 unq 3 iso 0 dist 7.82699 8.24395 6.50067 8.75137 5.2966 5.66519 numMergedOcc 0
34 mol 260 unq 0 iso 0 dist 8.78344 7.3067 8.66784 4.1077 5.54154 8.3298 numMergedOcc 0
35 mol 260 unq 1 iso 0 dist 4.1077 7.3067 8.3298 8.78344 5.54154 8.66784 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 5.59326 6.09216 9.27042 9.66652 6.19097 9.88818 numMergedOcc 0
37 mol 266 unq 1 iso 0 dist 9.66652 6.09216 9.88818 5.59326 6.19097 9.27042 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.88613 5.67354 5.38704 12.9362 6.03753 9.30966 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 8.88613 5.67354 5.38704 11.0731 6.07831 8.05503 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 8.88613 7.47139 8.26695 11.0731 6.07831 5.59151 numMergedOcc 0
41 mol 274 unq 3 iso 0 dist 8.88613 7.47139 8.26695 12.803 16.4367 8.17922 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 7.64708 5.57184 8.83777 5.73065 11.4925 9.42812 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 5.73065 5.57184 9.42812 7.64708 11.4925 8.83777 numMergedOcc 0
44 mol 285 unq 0 iso 0 dist 8.5942 10.2687 8.33415 14.439 14.0317 8.78148 numMergedOcc 0
