0 mol 16 unq 0 iso 0 dist 8.60935 5.8404 6.60918 6.04965 5.05215 4.86568 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.51214 4.21535 7.07587 12.0174 11.8001 7.99312 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.51214 4.21535 7.07587 11.6514 9.78914 8.2183 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.68096 5.52874 7.66055 10.079 5.76106 6.81627 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.86611 7.84998 9.88504 8.06457 4.12027 9.01083 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.86611 7.84998 9.88504 10.6428 4.3433 7.2658 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 8.98691 7.08612 8.27456 6.5136 9.7565 7.27724 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 8.44588 4.83846 8.29529 9.34456 7.77295 5.86073 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.98104 13.0727 9.60425 10.7424 5.17524 9.84395 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 5.51129 7.86921 7.00798 6.1421 5.57978 8.54584 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 5.51129 7.86921 7.00798 9.55967 6.05033 8.53613 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.44435 12.8882 9.37459 13.4825 8.41711 5.87555 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.44435 12.8882 9.37459 13.1115 4.82496 8.87437 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.44435 16.0649 9.0847 21.0781 14.8573 8.56324 numMergedOcc 0
14 mol 152 unq 3 iso 0 dist 9.44435 16.0649 9.0847 13.4825 8.41711 6.70283 numMergedOcc 0
15 mol 152 unq 4 iso 0 dist 9.44435 16.0649 9.0847 13.1115 4.82496 7.16148 numMergedOcc 0
16 mol 152 unq 5 iso 0 dist 9.44435 10.6678 6.00061 13.4825 8.41711 8.67331 numMergedOcc 0
17 mol 152 unq 6 iso 0 dist 9.44435 10.6678 6.00061 13.1115 4.82496 8.05741 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.66291 4.65392 6.73266 11.2139 5.57112 7.10633 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.66291 4.65392 6.73266 11.1575 12.1292 8.51516 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.8631 13.0116 7.86668 8.91192 5.06314 6.18308 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 6.96979 6.48163 7.17032 10.0573 5.44278 6.56247 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 6.96979 6.48163 7.17032 11.5446 9.25445 9.45496 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 6.8314 4.94699 4.91961 12.0771 11.5103 9.45496 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 6.8314 4.94699 4.91961 9.5181 4.98993 6.7625 numMergedOcc 0
25 mol 241 unq 0 iso 0 dist 6.8951 6.14115 8.18588 11.7866 10.2076 7.4631 numMergedOcc 0
26 mol 241 unq 1 iso 0 dist 5.65753 12.1949 8.18588 15.7877 10.2076 7.4631 numMergedOcc 0
27 mol 241 unq 2 iso 0 dist 7.31224 14.3991 8.18588 14.9966 10.2076 7.4631 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.91236 9.13047 5.29682 12.0522 5.48552 8.53687 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 8.91236 9.13047 5.29682 11.1914 5.56656 8.13497 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 8.91236 5.07898 6.20344 11.1914 5.56656 7.88519 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 8.91236 5.07898 6.20344 8.70852 6.08432 7.84554 numMergedOcc 0
32 mol 259 unq 4 iso 0 dist 8.91236 5.07898 6.20344 9.89728 10.3156 7.46176 numMergedOcc 0
33 mol 259 unq 5 iso 0 dist 8.91236 5.07898 6.20344 6.42437 9.55719 9.18903 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 6.14231 6.9758 9.00498 6.20796 5.7052 9.17653 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 4.68488 5.00433 9.00498 7.73693 5.7052 9.17653 numMergedOcc 0
