0 mol 11 unq 0 iso 0 dist 9.09091 5.25331 6.51674 3.66215 9.81983 6.83186 12.4305 9.74251 12.0683 9.89425 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 4.28224 7.11491 8.22812 10.8614 8.23404 9.26377 7.78689 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.34031 6.11249 5.39812 4.28224 7.11491 4.22002 10.8614 8.23404 4.88527 7.78689 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.34031 7.86326 8.55482 4.28224 7.11491 5.77855 10.8614 8.23404 4.76279 7.78689 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.34031 4.74786 3.50984 4.28224 7.11491 6.5241 10.8614 8.23404 9.94951 7.78689 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.58829 7.08628 6.34854 12.2529 8.56365 6.36817 18.0126 11.8248 11.246 7.7927 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.58829 7.08628 6.34854 12.2529 8.56365 6.36817 16.0298 9.10288 9.92075 6.17378 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 7.281 4.53565 3.65036 4.12075 7.1829 6.36817 10.6461 8.13327 9.7018 7.70645 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 7.281 8.53722 11.611 4.12075 7.1829 8.0812 10.6461 8.13327 8.95384 7.70645 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 7.281 6.15814 5.37655 4.12075 7.1829 4.17933 10.6461 8.13327 4.57947 7.70645 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 7.281 7.70284 8.48119 4.12075 7.1829 5.54893 10.6461 8.13327 4.60843 7.70645 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 7.87237 7.08462 5.79629 4.89844 7.38548 6.20144 8.71844 6.0749 7.19532 4.74254 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.33541 5.45882 11.746 5.09579 9.03527 4.49669 9.85902 8.74879 10.1118 8.67025 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 7.33541 5.45882 11.746 5.46299 9.60837 5.88896 5.29949 11.0969 8.39067 9.60127 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 7.33541 4.57487 9.9322 5.09579 9.03527 6.00221 9.85902 8.74879 8.19901 8.67025 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 9.30424 8.08798 4.5497 4.19541 7.2932 4.3855 7.46803 4.06908 5.94217 6.60366 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.55606 7.76863 9.16458 3.99343 11.8362 8.32259 8.66162 9.96173 4.7839 7.33774 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.55606 7.76863 9.16458 11.4601 16.0688 8.54737 8.66162 9.96173 4.7839 6.39122 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 7.10526 4.51124 3.85186 6.68247 11.8881 8.32259 5.3819 6.65648 5.80328 8.23717 numMergedOcc 0
19 mol 204 unq 3 iso 0 dist 7.10526 4.51124 3.85186 7.51762 13.0568 9.93489 5.3819 6.65648 5.80328 7.98864 numMergedOcc 0
20 mol 204 unq 4 iso 0 dist 7.10526 8.41517 9.61866 6.68247 11.8881 8.54737 5.3819 6.65648 3.68217 8.23717 numMergedOcc 0
21 mol 204 unq 5 iso 0 dist 7.10526 8.41517 9.61866 7.51762 13.0568 7.64057 5.3819 6.65648 3.68217 7.98864 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.69296 8.3107 6.28944 3.92649 5.05626 8.66082 10.1796 3.94038 4.84709 8.49349 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 7.69296 8.3107 6.28944 11.4548 8.41013 7.96338 10.1796 3.94038 4.84709 6.50654 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 7.48269 5.85613 5.59732 3.89364 4.36333 5.58222 8.94802 4.10994 4.96861 7.32564 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 6.71249 5.85613 3.96807 3.89364 6.96483 5.58222 8.94802 3.90666 4.96861 7.32564 numMergedOcc 0
26 mol 256 unq 2 iso 0 dist 9.18903 5.85613 11.141 3.89364 11.5655 5.58222 8.94802 11.4897 4.96861 7.32564 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 8.59762 5.97664 3.66473 4.93516 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 8.59762 5.97664 3.66473 4.93516 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 8.59762 5.97664 3.66473 4.93516 numMergedOcc 0
