0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 5.59847 4.10106 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 5.1333 6.72833 10.0048 6.86055 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 13.5967 10.1698 6.61696 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.40392 8.92687 8.4051 12.7473 13.6174 5.80953 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 13.278 8.23446 12.3605 5.73029 9.33304 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.40392 13.278 8.23446 13.1831 6.28159 4.5711 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 7.40392 13.278 8.23446 11.0243 5.50396 4.44526 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 7.40392 5.12527 8.75662 11.0243 5.50396 9.586 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 9.23015 5.63212 5.20109 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 11.6641 7.73394 6.07276 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.81637 6.18332 5.93884 12.1036 4.23671 9.53438 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.43143 11.9655 9.27838 13.9281 5.69391 7.58875 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.43143 11.9655 9.27838 12.4784 5.57624 9.52749 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 9.43143 11.9655 9.27838 9.73435 4.03844 6.91169 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.26438 5.26309 7.80523 6.62354 5.00433 7.56755 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 6.43255 11.4333 7.80523 8.00085 5.00433 7.56755 numMergedOcc 0
20 mol 109 unq 2 iso 0 dist 7.4389 14.0908 7.80523 11.8878 5.00433 7.56755 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 5.79157 12.2847 9.94764 8.8437 4.00092 9.0176 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.74465 5.03999 6.46704 13.4351 6.28125 9.06571 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.74465 5.03999 6.46704 11.0622 6.50233 7.35884 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 9.74465 13.5125 6.59025 13.4351 6.28125 9.88897 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.77347 10.0244 8.73217 16.8979 10.8286 9.99396 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 7.24099 6.5476 7.14503 13.0489 9.71636 8.66624 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 10.1071 5.41635 6.22742 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 4.78641 6.31156 7.36683 6.27266 5.41635 6.22742 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 6.32302 6.7597 8.66332 9.90415 5.70473 9.37336 numMergedOcc 0
30 mol 229 unq 1 iso 0 dist 8.53615 5.3298 8.66332 5.96615 5.70473 9.37336 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 6.02527 6.46271 7.79066 9.97367 4.15084 9.60504 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 7.57253 5.70548 9.05071 8.1692 5.42461 6.59036 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 5.60236 5.86896 6.36341 11.1476 13.089 7.39085 numMergedOcc 0
34 mol 235 unq 1 iso 0 dist 9.03917 4.88651 6.36341 10.0929 13.089 7.39085 numMergedOcc 0
35 mol 235 unq 2 iso 0 dist 6.56775 4.88651 6.21292 10.0929 10.5354 7.39085 numMergedOcc 0
