0 mol 55 unq 0 iso 0 dist 8.61209 4.31691 6.66861 12.6848 6.89662 8.70598 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.7638 6.96815 6.66861 11.5644 6.89662 8.70598 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 8.55679 6.96815 6.72084 11.5644 3.74852 8.70598 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.35101 4.7391 5.84625 9.1791 7.4999 7.58739 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.35101 4.7391 5.84625 6.86485 4.99692 9.01564 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.35101 4.7391 5.84625 8.37546 3.70586 7.11065 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 8.68381 4.35705 5.84625 8.26586 7.4999 7.58739 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.68381 4.35705 5.84625 9.76234 4.99692 9.01564 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.68381 4.35705 5.84625 10.1165 3.70586 7.11065 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.62621 5.75219 5.51406 6.64714 6.44712 8.77355 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.52947 14.4934 7.4518 12.2152 3.91263 7.28831 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.52947 11.7807 9.1687 12.2152 3.91263 9.71411 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 8.84466 16.0131 7.4518 9.43355 3.91263 7.28831 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 8.84466 11.7408 9.1687 9.43355 3.91263 9.71411 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.35162 7.34304 6.03154 10.3775 5.94952 9.59437 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.22456 8.11294 9.04845 7.33743 5.68827 8.83732 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.7232 8.11294 6.72323 7.33743 11.5628 8.83732 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 8.56204 5.82243 5.51388 10.2304 14.6592 9.15283 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.94464 6.15536 9.07527 12.2912 9.00952 8.12266 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.94464 6.15536 9.07527 12.82 8.32063 9.43306 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.94464 6.15536 9.07527 9.19831 7.88733 8.59681 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.92025 12.8555 8.37813 10.7437 5.45156 6.15635 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.78758 4.19643 9.21145 11.5953 11.7249 7.67837 numMergedOcc 0
