0 mol 18 unq 0 iso 0 dist 8.2056 8.35401 9.7591 10.3745 12.7898 7.60512 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.79739 8.93805 4.61651 8.03355 11.1672 9.4577 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.90481 9.83449 4.61651 12.0074 11.1672 9.4577 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 6.30807 9.83449 12.0998 12.0074 17.5145 9.4577 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.35101 9.1791 7.4999 4.7391 5.84625 7.58739 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 5.35101 6.86485 4.99692 4.7391 5.84625 9.01564 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 5.35101 8.37546 3.70586 4.7391 5.84625 7.11065 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 8.68381 8.26586 7.4999 4.35705 5.84625 7.58739 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 8.68381 9.76234 4.99692 4.35705 5.84625 9.01564 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 12.6241 11.9711 9.77084 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.66549 6.24296 13.0679 4.32784 10.4828 5.05893 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.66549 6.83218 15.4283 4.32784 10.4828 5.71866 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.62621 6.64714 6.44712 5.75219 5.51406 8.77355 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.84466 9.43355 3.91263 17.826 9.82649 9.19977 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.84466 9.43355 3.91263 16.0131 7.4518 7.28831 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 8.84466 9.43355 3.91263 11.7408 9.1687 9.71411 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 9.2948 9.43355 15.8131 17.826 23.1889 9.19977 numMergedOcc 0
17 mol 93 unq 4 iso 0 dist 9.2948 9.43355 15.8131 16.0131 22.7533 7.28831 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 9.2948 9.43355 15.8131 11.7408 14.5196 9.71411 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.59311 7.33743 3.84992 8.11294 9.58772 8.83732 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.22456 7.33743 5.68827 8.11294 9.04845 8.83732 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 5.7232 7.33743 11.5628 8.11294 6.72323 8.83732 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 9.04205 9.31829 6.30259 10.1415 12.8147 9.35202 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.56204 8.66311 14.9735 6.07908 9.43938 6.05009 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.94464 9.19831 7.88733 6.15536 9.07527 8.59681 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 8.63713 9.19831 5.76612 6.15536 10.9985 8.59681 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 8.92685 7.83476 5.31548 4.19412 10.5454 8.12266 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.61454 9.42801 4.46929 11.4437 11.2839 8.97952 numMergedOcc 0
