0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 5.59847 4.10106 6.54358 10.4181 5.96346 6.86684 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 10.0048 6.86055 7.65889 5.1333 6.72833 6.51133 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 10.2624 4.82629 6.6219 12.5021 11.3566 6.56748 9.73647 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 13.5967 10.1698 5.68215 12.5021 11.3566 6.56748 7.26334 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 8.23069 5.54419 13.5967 10.1698 5.68215 9.82763 9.83002 4.50066 6.19899 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.40392 8.23069 5.54419 13.5967 10.1698 5.68215 8.92687 8.4051 5.11617 6.61696 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.40392 8.59466 7.36323 13.1831 6.28159 8.87744 13.278 8.23446 6.38336 4.5711 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.40392 8.59466 7.36323 11.0243 5.50396 7.27472 13.278 8.23446 6.38336 4.44526 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.40392 8.59466 7.36323 11.0243 5.50396 7.27472 5.12527 8.75662 6.7828 9.586 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 13.9281 5.69391 9.55118 11.9655 9.27838 11.6378 7.58875 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 13.1846 11.3043 7.94178 9.84703 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 15.5475 6.65501 4.4057 4.62494 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 13.1846 11.3043 15.7178 9.84703 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 15.5475 6.65501 7.42446 4.62494 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 15.5475 6.65501 9.67482 8.46823 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 13.1846 11.3043 9.85543 9.25444 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 13.1846 11.3043 9.85543 9.84703 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 15.5475 6.65501 9.67482 4.62494 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 14.4421 11.3043 7.94178 9.84703 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 13.2316 6.65501 4.4057 4.62494 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 14.4421 11.3043 15.7178 9.84703 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 13.2316 6.65501 7.42446 4.62494 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 13.2316 6.65501 9.67482 8.46823 numMergedOcc 0
23 mol 98 unq 13 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 14.4421 11.3043 9.85543 9.25444 numMergedOcc 0
24 mol 98 unq 14 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 14.4421 11.3043 9.85543 9.84703 numMergedOcc 0
25 mol 98 unq 15 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 13.2316 6.65501 9.67482 4.62494 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 6.62354 5.00433 8.52024 5.26309 7.80523 7.74599 7.56755 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 8.00085 5.00433 8.52024 11.4333 7.80523 7.74599 7.56755 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 11.8878 5.00433 8.52024 14.0908 7.80523 7.74599 7.56755 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 8.8437 4.00092 7.21868 12.2847 9.94764 4.57832 9.0176 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 5.79157 14.1608 9.71307 8.8437 4.00092 7.93372 12.2847 9.94764 5.29786 9.0176 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 12.8389 11.6011 7.02548 17.2288 16.4813 7.08726 8.86449 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 11.0622 6.50233 9.76212 5.03999 6.46704 4.43096 7.35884 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 11.7375 4.54188 6.8692 17.7382 12.9355 10.6079 9.25617 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 8.14754 7.43271 5.81334 11.7375 4.54188 6.8692 16.9891 12.8311 11.5752 9.05276 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 9.90415 5.70473 7.27993 6.7597 8.66332 6.65022 9.37336 numMergedOcc 0
36 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 9.90415 7.22525 7.27993 6.7597 11.1976 6.65022 9.37336 numMergedOcc 0
37 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 5.96615 5.70473 7.27993 5.3298 8.66332 6.65022 9.37336 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 5.18078 11.308 11.169 8.95511 numMergedOcc 0
39 mol 239 unq 1 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 15.315 10.3435 5.88931 5.85002 numMergedOcc 0
