0 mol 26 unq 0 iso 0 dist 8.36742 4.52042 7.98005 10.9309 12.5438 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.10028 4.52042 8.31381 10.9309 8.39015 8.34347 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.48195 5.3372 9.99939 13.0456 19.1023 9.24927 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.07773 4.30086 9.99939 12.4634 19.1023 9.24927 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.1568 6.31521 8.83233 12.2513 7.63536 7.50293 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 9.1568 6.31521 8.83233 11.6716 4.04384 9.91611 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.80117 9.69698 9.02471 15.7652 12.6657 8.80331 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 7.80117 9.69698 9.02471 15.8918 14.0654 6.20293 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 9.79386 5.90113 9.02471 9.17086 12.6657 8.80331 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 9.79386 5.90113 9.02471 10.615 14.0654 6.20293 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 8.55903 8.60899 8.27463 12.2143 5.84319 7.58835 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.7576 5.33851 6.23522 10.1112 4.73407 9.38498 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.7576 8.3449 9.10566 6.10011 3.85805 5.93252 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 6.50622 5.58109 9.85512 5.57265 5.34874 7.9245 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 4.45433 5.58109 8.97888 5.57265 3.68023 7.9245 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 6.2753 6.38992 9.01812 11.2447 8.37717 7.95579 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.85622 11.8887 7.92856 12.9146 8.29813 5.08437 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.85622 11.8887 7.92856 17.6559 13.2057 6.48948 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.85622 11.8887 7.92856 14.9393 12.7473 6.10456 numMergedOcc 0
19 mol 102 unq 0 iso 0 dist 9.5434 5.09542 5.54256 9.84673 3.48119 7.36792 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.22398 5.28643 4.76974 8.46684 4.18693 5.39945 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 15.1331 7.90729 8.37808 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 8.12319 10.9365 5.92733 13.2314 6.00473 9.28393 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 9.04366 5.63567 5.92733 12.6804 6.00473 9.28393 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 8.44004 5.29825 8.80895 12.0117 11.6692 6.85062 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 13.5463 13.8965 9.29945 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 7.39733 7.07865 8.29467 9.79901 6.13927 7.81386 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 7.39733 7.07865 8.29467 13.7928 13.2274 7.63312 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 8.74268 13.9526 8.29467 11.2136 6.13927 7.81386 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 8.74268 13.9526 8.29467 18.7611 13.2274 7.63312 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 6.8533 10.613 7.3268 8.91036 6.63423 7.37839 numMergedOcc 0
31 mol 231 unq 1 iso 0 dist 6.8533 10.613 7.3268 12.2364 10.3815 8.40182 numMergedOcc 0
32 mol 231 unq 2 iso 0 dist 8.8788 6.39215 9.9868 12.9999 16.456 7.37839 numMergedOcc 0
33 mol 231 unq 3 iso 0 dist 8.8788 6.39215 9.9868 12.3939 17.7601 8.40182 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 7.99963 4.77446 4.43499 6.83046 4.32238 6.16342 numMergedOcc 0
35 mol 256 unq 0 iso 0 dist 8.3597 9.94789 4.80903 12.5339 5.08421 8.29103 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 5.57978 10.4505 5.4557 8.44862 4.02333 6.97229 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 13.4688 5.99797 8.2734 numMergedOcc 0
