0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 5.59847 4.10106 6.859 5.51815 4.61088 6.86684 6.54358 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 5.1333 6.72833 10.0048 6.86055 5.94982 5.65481 4.7319 6.51133 7.65889 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.68517 5.1333 6.72833 10.0048 6.86055 5.94982 10.0664 11.0958 5.30082 6.42835 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 13.5967 10.1698 6.61696 8.23069 5.54419 5.11617 5.68215 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 8.92687 8.4051 12.7473 13.6174 5.80953 11.9006 15.5324 8.52463 7.95042 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.40392 13.278 8.23446 13.1831 6.28159 4.5711 8.59466 7.36323 6.38336 8.87744 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.40392 13.278 8.23446 11.0243 5.50396 4.44526 8.59466 7.36323 6.38336 7.27472 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.40392 5.12527 8.75662 11.0243 5.50396 9.586 8.59466 7.36323 6.7828 7.27472 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 9.23015 5.63212 5.20109 10.7149 11.9561 7.33728 7.05196 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.43143 11.9655 9.27838 13.9281 5.69391 7.58875 16.2349 9.96708 11.6378 9.55118 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 21.0334 17.4071 16.4267 9.64383 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 8.06684 6.10456 9.67482 7.54889 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 9.05486 10.1136 12.0974 7.78931 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 12.3158 5.08437 4.4057 5.10496 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 15.1765 6.48948 7.42446 5.92242 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 8.06684 6.10456 9.67482 5.2571 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 9.05486 10.1136 12.0974 8.7497 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 16.1406 17.4071 16.4267 9.64383 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 5.15322 6.10456 9.67482 7.54889 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 9.07049 10.1136 12.0974 7.78931 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 11.7493 5.08437 4.4057 5.10496 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 10.3366 6.48948 7.42446 5.92242 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 5.15322 6.10456 9.67482 5.2571 numMergedOcc 0
23 mol 98 unq 13 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 9.07049 10.1136 12.0974 8.7497 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 9.26438 5.26309 7.80523 6.62354 5.00433 7.56755 4.91393 13.1098 10.0688 9.89083 numMergedOcc 0
25 mol 109 unq 1 iso 0 dist 9.26438 5.26309 7.80523 6.62354 5.00433 7.56755 5.68669 8.69985 7.74599 8.52024 numMergedOcc 0
26 mol 109 unq 2 iso 0 dist 6.43255 11.4333 7.80523 8.00085 5.00433 7.56755 12.0697 13.1098 10.0688 9.89083 numMergedOcc 0
27 mol 109 unq 3 iso 0 dist 6.43255 11.4333 7.80523 8.00085 5.00433 7.56755 6.80429 8.69985 7.74599 8.52024 numMergedOcc 0
28 mol 109 unq 4 iso 0 dist 7.4389 14.0908 7.80523 11.8878 5.00433 7.56755 18.5281 13.1098 10.0688 9.89083 numMergedOcc 0
29 mol 109 unq 5 iso 0 dist 7.4389 14.0908 7.80523 11.8878 5.00433 7.56755 12.3794 8.69985 7.74599 8.52024 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 5.79157 12.2847 9.94764 8.8437 4.00092 9.0176 11.9678 11.3835 7.1797 9.66543 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 5.79157 12.2847 9.94764 8.8437 4.00092 9.0176 13.0109 9.86662 4.57832 7.21868 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 5.79157 12.2847 9.94764 8.8437 4.00092 9.0176 14.1608 9.71307 5.29786 7.93372 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.74465 5.03999 6.46704 11.0622 6.50233 7.35884 8.42326 8.03334 4.43096 9.76212 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.74465 5.03999 6.46704 11.0622 6.50233 7.35884 9.65078 10.9639 6.06566 8.59874 numMergedOcc 0
35 mol 188 unq 0 iso 0 dist 7.24099 6.5476 7.14503 13.0489 9.71636 8.66624 12.0642 13.353 8.77113 7.88013 numMergedOcc 0
36 mol 229 unq 0 iso 0 dist 6.32302 6.7597 8.66332 9.90415 5.70473 9.37336 6.52416 8.22528 6.65022 7.27993 numMergedOcc 0
37 mol 229 unq 1 iso 0 dist 6.32302 6.7597 8.66332 9.90415 5.70473 9.37336 9.71486 11.3979 5.42069 9.51168 numMergedOcc 0
38 mol 229 unq 2 iso 0 dist 6.32302 6.7597 8.66332 9.90415 5.70473 9.37336 12.9522 11.7165 10.2411 6.95201 numMergedOcc 0
39 mol 229 unq 3 iso 0 dist 8.53615 5.3298 8.66332 5.96615 5.70473 9.37336 6.81165 8.22528 6.65022 7.27993 numMergedOcc 0
40 mol 229 unq 4 iso 0 dist 8.53615 5.3298 8.66332 5.96615 5.70473 9.37336 5.33253 11.3979 5.42069 9.51168 numMergedOcc 0
41 mol 229 unq 5 iso 0 dist 8.53615 5.3298 8.66332 5.96615 5.70473 9.37336 6.21905 11.7165 10.2411 6.95201 numMergedOcc 0
