0 mol 1 unq 0 iso 0 dist 9.34725 7.16224 8.69605 6.41817 5.19589 6.2936 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.96836 5.21083 7.34681 13.0776 16.9932 9.78918 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 7.96836 5.21083 7.34681 7.02884 13.5569 6.80314 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 6.86092 4.79821 6.70095 5.66861 6.52918 8.5021 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.99609 8.37496 7.57471 7.14461 4.99645 8.59105 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.75977 10.7488 8.15664 8.57012 4.92054 8.96747 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.09071 5.73517 6.53824 7.85045 10.5909 9.2638 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.7367 5.73517 6.61973 7.85045 6.2875 9.2638 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.67331 4.92832 9.88178 12.1466 13.5143 7.50264 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 7.82113 4.07548 8.1907 9.0939 10.2716 6.47305 numMergedOcc 0
10 mol 188 unq 1 iso 0 dist 7.82113 4.07548 8.1907 6.1338 5.01686 6.20426 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.52692 5.5367 6.20044 12.2358 4.92804 9.23676 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 9.7707 9.42629 6.20044 10.2998 4.92804 9.23676 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.96503 4.79799 5.86839 9.47112 4.79372 6.23057 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.92349 11.12 5.25149 12.4355 10.8928 8.75712 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.70779 11.12 8.6368 12.4355 4.03653 8.75712 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 8.24184 6.63806 7.74348 13.3482 8.64384 8.88405 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 8.24184 6.63806 7.74348 13.3587 9.7977 7.13854 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 8.19595 9.49668 6.69245 5.9131 3.93924 8.86801 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 8.19595 4.36153 7.90763 5.9131 3.93924 7.15093 numMergedOcc 0
20 mol 272 unq 2 iso 0 dist 8.56255 13.1454 6.69245 8.16917 3.93924 8.86801 numMergedOcc 0
21 mol 272 unq 3 iso 0 dist 8.56255 13.7982 7.90763 8.16917 3.93924 7.15093 numMergedOcc 0
