0 mol 1 unq 0 iso 0 dist 9.34725 6.41817 5.19589 7.16224 8.69605 6.2936 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.96836 7.02884 13.5569 5.21083 7.34681 6.80314 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.86092 5.66861 6.52918 4.79821 6.70095 8.5021 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 9.99609 7.14461 4.99645 12.809 9.90256 10.3471 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.99609 7.14461 4.99645 8.37496 7.57471 8.59105 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.99609 9.03196 12.9785 12.809 9.90256 19.9993 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 9.99609 9.03196 12.9785 8.37496 7.57471 15.8348 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.75977 8.57012 4.92054 10.7488 8.15664 8.96747 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.75977 9.75945 6.7197 10.7488 8.15664 10.6424 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 7.68908 6.87901 10.3138 6.35861 7.66418 12.9296 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 7.68908 6.87901 10.3138 5.56761 8.078 10.0799 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.93751 6.73172 9.76776 10.5552 9.3757 14.7827 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.93751 6.73172 9.76776 11.4776 9.42014 10.67 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 9.09071 7.85045 10.5909 5.73517 6.53824 9.2638 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 7.7367 7.85045 6.2875 5.73517 6.61973 9.2638 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.98949 8.74658 13.3682 12.1136 6.08846 18.4941 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.98949 8.74658 13.3682 15.0398 9.19171 21.1887 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.21606 5.6688 5.10499 13.2658 9.40718 14.0071 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 7.82113 9.0939 10.2716 4.07548 8.1907 6.47305 numMergedOcc 0
19 mol 188 unq 1 iso 0 dist 7.82113 6.1338 5.01686 4.07548 8.1907 6.20426 numMergedOcc 0
20 mol 203 unq 0 iso 0 dist 9.52542 9.31742 4.76871 10.3525 6.84619 10.7462 numMergedOcc 0
21 mol 203 unq 1 iso 0 dist 9.80432 6.89817 4.76871 12.8357 6.84619 10.7462 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.96503 9.47112 4.79372 4.79799 5.86839 6.23057 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 8.19595 5.9131 3.93924 9.49668 6.69245 8.86801 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 8.19595 5.9131 3.93924 4.36153 7.90763 7.15093 numMergedOcc 0
25 mol 272 unq 2 iso 0 dist 8.56255 8.16917 3.93924 13.1454 6.69245 8.86801 numMergedOcc 0
26 mol 272 unq 3 iso 0 dist 8.56255 8.16917 3.93924 13.7982 7.90763 7.15093 numMergedOcc 0
27 mol 293 unq 0 iso 0 dist 8.84911 8.60282 8.37167 11.1018 9.65156 14.4483 numMergedOcc 0
