0 mol 30 unq 0 iso 0 dist 5.90481 6.30807 7.5925 9.83449 4.61651 12.0998 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 6.30807 5.90481 7.5925 9.83449 12.0998 4.61651 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.48514 8.57785 5.58252 5.69981 3.64781 3.82947 numMergedOcc 0
3 mol 55 unq 0 iso 1 dist 8.57785 8.48514 5.58252 5.69981 3.82947 3.64781 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 6.89527 3.77705 7.64337 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 9.62459 5.16558 5.32316 6.89527 7.64337 3.77705 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 9.43355 3.91263 15.8131 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 9.2948 8.84466 16.5604 9.43355 15.8131 3.91263 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.84466 9.2948 16.5604 5.64141 5.59024 13.6266 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 9.2948 8.84466 16.5604 5.64141 13.6266 5.59024 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.84466 9.2948 16.5604 5.46186 12.9872 5.17052 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 9.2948 8.84466 16.5604 5.46186 5.17052 12.9872 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 9.26505 12.8905 11.7277 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 6.30982 7.99121 5.11161 9.26505 11.7277 12.8905 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 9.26505 12.8905 8.29196 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 6.12404 7.99121 10.7282 9.26505 8.29196 12.8905 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 6.30982 6.12404 6.56935 9.26505 11.7277 8.29196 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 6.12404 6.30982 6.56935 9.26505 8.29196 11.7277 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 7.33743 3.84992 5.68827 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 9.22456 5.59311 5.01776 7.33743 5.68827 3.84992 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 7.33743 3.84992 11.5628 numMergedOcc 0
21 mol 133 unq 1 iso 1 dist 5.7232 5.59311 10.5425 7.33743 11.5628 3.84992 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.22456 5.7232 12.3753 7.33743 5.68827 11.5628 numMergedOcc 0
23 mol 133 unq 1 iso 1 dist 5.7232 9.22456 12.3753 7.33743 11.5628 5.68827 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.94464 8.63713 11.4167 9.19831 7.88733 5.76612 numMergedOcc 0
25 mol 181 unq 0 iso 1 dist 8.63713 8.94464 11.4167 9.19831 5.76612 7.88733 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.10275 6.13722 4.78111 7.81168 14.4384 12.9641 numMergedOcc 0
27 mol 266 unq 0 iso 1 dist 6.13722 9.10275 4.78111 7.81168 12.9641 14.4384 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 8.19213 5.80664 8.46742 9.98518 10.8866 7.54288 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 5.80664 8.19213 8.46742 9.98518 7.54288 10.8866 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.19213 5.80664 8.46742 9.98518 10.8866 7.54288 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 5.80664 8.19213 8.46742 9.98518 7.54288 10.8866 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 8.19213 5.80664 8.46742 9.98518 10.8866 7.54288 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 5.80664 8.19213 8.46742 9.98518 7.54288 10.8866 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 8.74181 8.96987 6.19256 8.26112 8.1652 9.42294 numMergedOcc 0
35 mol 294 unq 0 iso 1 dist 8.96987 8.74181 6.19256 8.26112 9.42294 8.1652 numMergedOcc 0
