0 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 4.91237 5.35252 8.80801 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.72833 9.60995 12.3451 14.9425 12.7219 9.45622 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.73908 6.88786 9.86454 9.89879 13.8493 8.93772 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 6.77421 6.88786 6.30184 9.89879 11.9706 8.93772 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 6.94858 12.53 9.7596 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.02753 8.95756 7.78899 4.24944 12.53 9.7596 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.97882 5.87906 5.6513 6.27329 5.62336 8.29967 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 6.97882 5.87906 5.6513 6.79748 12.6704 9.67406 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 9.4868 5.87906 7.41574 6.27329 5.63748 8.29967 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 9.4868 5.87906 7.41574 6.79748 15.7588 9.67406 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 5.37819 5.57712 5.88809 5.28885 10.3792 7.70527 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34752 6.67306 5.7998 10.0813 5.2184 9.53895 numMergedOcc 0
12 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 4.19005 8.78382 8.66615 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 8.4495 13.5124 9.51612 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 9.15795 5.83335 11.7914 3.94874 12.3051 5.89091 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 8.72128 9.86506 15.1826 5.86369 13.5124 6.0033 numMergedOcc 0
16 mol 183 unq 3 iso 0 dist 8.72128 9.86506 15.1826 4.44329 12.3051 9.01322 numMergedOcc 0
17 mol 183 unq 4 iso 0 dist 8.72128 7.86724 11.7914 5.86369 13.5124 9.51612 numMergedOcc 0
18 mol 183 unq 5 iso 0 dist 8.72128 7.86724 11.7914 4.44329 12.3051 5.89091 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.53211 9.91271 6.33602 11.4783 7.43391 9.59814 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 9.53211 9.91271 6.33602 4.30655 7.79787 8.92083 numMergedOcc 0
21 mol 244 unq 2 iso 0 dist 9.57082 9.91271 16.7499 11.4783 20.969 9.59814 numMergedOcc 0
22 mol 244 unq 3 iso 0 dist 9.57082 9.91271 16.7499 4.30655 10.1688 8.92083 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.81689 6.98812 5.57706 10.531 7.52632 9.74602 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 5.40771 10.1316 8.67354 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 6.99177 10.1316 8.67354 numMergedOcc 0
