0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 6.26276 7.28672 9.57198 11.7623 9.78006 5.60154 9.62394 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.73259 10.1809 7.61055 9.27369 5.30297 7.3022 10.2609 10.4035 11.0099 6.46104 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.73259 10.1809 7.61055 9.27369 5.30297 7.3022 8.18809 8.6385 4.74747 7.36856 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.60352 4.53839 7.61055 10.6535 5.30297 7.3022 14.2462 10.4035 11.0099 6.46104 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.60352 4.53839 7.61055 10.6535 5.30297 7.3022 7.06347 8.6385 4.74747 7.36856 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 8.19484 5.14132 5.52067 9.57818 4.85777 6.42834 9.08934 9.57606 5.0364 8.51663 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.5076 4.49984 8.07135 6.16862 9.78763 8.21165 12.7925 16.5366 12.0863 9.22232 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.34386 5.80615 9.4062 6.42904 4.35684 6.51868 6.26797 12.2715 4.68409 9.22661 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 7.34386 5.80615 9.4062 10.0298 11.668 7.34698 6.26797 12.2715 4.68409 7.56378 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 5.04351 9.77501 8.68349 10.2158 6.00811 9.44952 10.3831 9.80351 14.7359 8.84535 numMergedOcc 0
10 mol 146 unq 1 iso 0 dist 5.04351 9.77501 8.68349 10.2158 6.00811 9.44952 9.49254 9.52033 7.00857 8.82188 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 5.06687 11.6995 8.12589 11.0479 7.23332 8.73468 9.27313 9.74542 10.2478 9.91993 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 5.06687 11.6995 8.12589 11.0479 7.23332 8.73468 12.8573 11.214 6.84291 9.99156 numMergedOcc 0
13 mol 148 unq 2 iso 0 dist 5.06687 11.6995 8.12589 9.80819 7.89336 9.73927 9.27313 9.74542 10.2478 6.22055 numMergedOcc 0
14 mol 148 unq 3 iso 0 dist 5.06687 11.6995 8.12589 9.80819 7.89336 9.73927 12.8573 11.214 6.84291 8.18085 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 5.09809 11.8035 8.11592 11.1963 7.35366 8.73558 9.25213 9.6606 10.2318 9.96691 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 5.09809 11.8035 8.11592 11.1963 7.35366 8.73558 12.8265 11.0682 6.79619 9.8656 numMergedOcc 0
17 mol 150 unq 2 iso 0 dist 5.09809 11.8035 8.11592 9.81665 7.86976 9.66129 9.25213 9.6606 10.2318 6.14675 numMergedOcc 0
18 mol 150 unq 3 iso 0 dist 5.09809 11.8035 8.11592 9.81665 7.86976 9.66129 12.8265 11.0682 6.79619 7.94889 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.90625 8.34466 7.13269 12.8147 7.97232 5.9032 10.6428 7.25742 4.57561 8.4858 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 9.07527 6.12563 5.97685 9.32503 11.6558 9.60512 5.9176 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.91705 12.5567 7.96291 9.07527 6.12563 8.9289 9.32503 11.6558 13.3389 5.9176 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 7.92476 5.56759 5.49808 10.5454 6.12563 5.97685 14.7065 11.6558 9.60512 5.9176 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 7.92476 4.43465 7.96291 10.5454 6.12563 8.9289 14.7065 11.6558 13.3389 5.9176 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 9.76361 7.50057 9.3402 7.72655 8.83356 5.38925 6.72379 numMergedOcc 0
