0 mol 48 unq 0 iso 0 dist 9.05165 7.4343 4.91237 6.39142 8.05728 5.35252 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 9.56049 7.6104 13.8571 13.468 16.1036 7.2118 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 7.2833 4.58684 6.79748 5.79354 12.2004 6.22441 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 7.2833 6.90348 11.1253 5.79354 12.2004 5.91543 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 4.06171 5.57391 4.95662 4.73115 8.44207 8.68674 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.16537 7.68908 7.36959 6.35861 10.9486 7.66418 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 6.16537 7.68908 7.36959 5.56761 10.0476 8.078 numMergedOcc 0
7 mol 103 unq 2 iso 0 dist 9.77978 7.68908 6.38538 6.35861 11.6041 7.66418 numMergedOcc 0
8 mol 103 unq 3 iso 0 dist 9.77978 7.68908 6.38538 5.56761 7.52954 8.078 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.74464 8.98949 11.4305 12.1136 13.1658 6.08846 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.74464 8.98949 11.4305 15.0398 19.4877 9.19171 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.75007 6.29879 5.9683 6.92975 9.96416 5.79195 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.75007 6.29879 5.9683 6.53637 7.17051 9.2759 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.75007 6.29879 5.9683 11.1722 5.9962 8.76088 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 5.95841 9.90752 4.75665 9.38569 5.82577 8.0501 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 9.99509 7.82113 9.77899 4.07548 8.94864 8.1907 numMergedOcc 0
16 mol 203 unq 0 iso 0 dist 8.99533 9.80432 12.5914 12.8357 18.4856 6.84619 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.95977 7.52692 12.4189 4.89826 12.2846 6.62514 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.95977 7.52692 12.4189 5.5367 8.40718 6.20044 numMergedOcc 0
19 mol 204 unq 2 iso 0 dist 7.95977 7.52692 12.4189 9.88124 17.6118 9.41996 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.8495 8.96503 11.1756 4.79799 10.957 5.86839 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 8.00688 8.96503 6.67537 4.79799 7.55333 5.86839 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 6.54042 9.82101 4.31761 9.17371 9.5942 8.52996 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 9.56736 8.24184 4.24722 13.2154 12.2537 8.63249 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.56736 8.24184 4.24722 6.63806 5.6568 7.74348 numMergedOcc 0
