0 mol 98 unq 0 iso 0 dist 9.58693 9.66226 19.0994 5.61418 9.53244 13.4478 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 9.48388 9.66226 7.28361 5.61418 11.115 13.4478 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 8.26309 6.37224 6.23728 7.91691 7.60664 9.33661 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 9.80191 5.7085 8.86193 6.38269 6.54263 6.29259 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.80191 5.7085 8.86193 7.11196 3.92558 7.08122 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 7.89237 5.98534 4.43119 7.04627 7.75915 4.10526 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 7.53748 8.80059 7.32989 8.47439 4.07587 3.73181 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 8.68992 6.08141 5.90026 8.00826 7.36886 8.77204 numMergedOcc 0
8 mol 225 unq 0 iso 0 dist 9.30186 6.27438 8.32583 9.02494 14.2198 12.192 numMergedOcc 0
9 mol 225 unq 1 iso 0 dist 9.30186 6.27438 8.32583 8.83641 17.4586 11.8222 numMergedOcc 0
10 mol 225 unq 2 iso 0 dist 6.51997 6.27438 9.16289 9.02494 9.76678 12.192 numMergedOcc 0
11 mol 225 unq 3 iso 0 dist 6.51997 6.27438 9.16289 8.83641 5.41981 11.8222 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 9.13483 9.5789 10.8766 9.12546 11.657 3.96862 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 6.44188 9.5789 5.754 9.12546 7.41143 3.96862 numMergedOcc 0
14 mol 257 unq 2 iso 0 dist 5.16581 9.34175 10.8766 8.71617 11.657 3.96862 numMergedOcc 0
15 mol 257 unq 3 iso 0 dist 5.13633 9.34175 5.754 8.71617 7.41143 3.96862 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 8.82941 6.99089 9.2768 7.51951 13.1885 4.72338 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 6.02089 5.54272 4.95054 7.61675 6.44735 3.60378 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 6.87804 5.54272 8.83082 7.61675 9.12345 3.60378 numMergedOcc 0
