0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 18.8855 15.5644 12.7009 8.50222 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 6.32132 5.04899 11.7801 8.87757 5.77929 18.8279 16.1048 12.8117 7.55264 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 8.66162 6.52773 7.20179 13.3176 4.85907 10.3704 9.11344 numMergedOcc 0
3 mol 125 unq 0 iso 0 dist 8.38646 6.5815 8.62381 6.24872 7.73435 7.43922 10.0521 5.20403 12.7528 8.76789 numMergedOcc 0
4 mol 125 unq 1 iso 0 dist 8.38646 6.5815 8.62381 10.4668 9.3778 11.0769 10.0521 5.20403 12.7528 9.08382 numMergedOcc 0
5 mol 125 unq 2 iso 0 dist 8.38646 6.5815 8.62381 10.4668 9.3778 11.0769 16.2517 11.8325 17.1992 7.47069 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 10.0674 7.80532 7.41674 9.54911 5.79898 9.89303 5.83771 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.0674 7.80532 9.87376 9.54911 5.79898 9.93925 5.83771 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 12.2418 5.56175 8.94056 7.90267 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 5.95655 9.47433 11.9952 7.39961 5.76755 10.4649 6.30021 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 9.91956 6.41453 7.20191 14.2075 8.85576 7.81386 9.39829 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 14.201 7.75885 12.7604 13.3597 5.63422 11.1804 6.16414 numMergedOcc 0
12 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 14.201 7.75885 6.45859 13.3597 5.63422 7.7366 6.16414 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 7.2527 10.0191 13.5431 7.57812 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 9.29203 10.0191 13.5431 7.57812 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.42827 8.22485 7.57994 5.74889 5.48118 10.7772 10.0497 5.3927 12.8752 7.25858 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 6.42827 6.77698 6.18582 5.74889 5.48118 7.04666 10.0497 5.3927 11.2388 7.25858 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.39424 7.21311 5.63675 13.9191 12.321 10.5548 9.63959 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 7.22378 6.8193 6.60405 4.39424 7.21311 5.63675 11.719 10.7374 14.3043 9.96262 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 9.47382 6.96053 10.3935 7.08526 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 9.47382 6.96053 7.46176 7.08526 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 6.49599 6.96053 7.88519 7.98231 numMergedOcc 0
