0 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 6.10173 12.3035 5.74871 7.21955 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 13.6976 6.86346 6.65721 21.6722 14.4663 13.5488 9.25641 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 9.30974 12.1092 11.4333 9.49454 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 20.4293 18.0058 14.2045 8.70296 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 10.5784 13.44 5.09131 9.25558 numMergedOcc 0
5 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 20.4293 12.6227 14.2045 8.70296 numMergedOcc 0
6 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 10.5784 11.586 5.09131 9.25558 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 9.54911 5.79898 9.89303 10.0674 7.80532 7.41674 5.83771 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 11.7605 9.44367 5.4555 7.90267 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 11.9173 8.16421 6.57069 13.8211 10.4182 8.29015 9.77896 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.04318 8.09861 5.6234 11.9173 5.35493 6.57069 13.8211 11.6765 8.29015 9.77896 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 12.7475 16.082 8.91338 8.90963 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 9.91956 6.41453 7.20191 9.39829 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 20.7774 13.2049 8.03334 21.5219 12.4878 4.43096 6.46704 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 9.25528 18.2027 9.1374 20.7774 13.2049 8.03334 17.0822 10.6908 8.04639 6.59025 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 13.3597 5.63422 7.7366 14.201 7.75885 6.45859 6.16414 numMergedOcc 0
16 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 13.3597 5.63422 7.7366 17.1028 11.4872 4.40897 7.33701 numMergedOcc 0
17 mol 206 unq 2 iso 0 dist 8.59262 13.472 9.774 13.3597 5.63422 7.7366 19.0932 13.2041 7.62219 8.0871 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 10.451 7.98231 8.81835 7.08526 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 10.451 11.6972 8.81835 7.98231 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 10.451 11.6972 8.81835 7.08526 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 10.451 7.08526 8.81835 7.98231 numMergedOcc 0
