0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 12.753 4.99728 9.99338 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 12.7599 9.6994 10.533 6.40255 8.13129 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 13.3337 7.15528 10.533 6.40255 9.07223 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19621 9.95 9.6994 12.1559 6.40255 8.13129 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 6.83587 7.15528 12.1559 6.40255 9.07223 numMergedOcc 0
5 mol 7 unq 0 iso 0 dist 8.23909 13.823 9.60499 16.2395 10.5551 7.5706 numMergedOcc 0
6 mol 7 unq 1 iso 0 dist 9.85726 11.5784 9.60499 13.5752 14.0261 7.60712 numMergedOcc 0
7 mol 7 unq 2 iso 0 dist 6.72215 5.38502 9.60499 9.19844 10.5551 7.5706 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 6.95846 8.17454 7.56581 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 6.95846 8.17454 9.22021 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 5.59773 13.9079 9.5589 11.1631 8.17454 7.56581 numMergedOcc 0
11 mol 54 unq 3 iso 0 dist 5.59773 10.4238 6.83299 11.1631 8.17454 9.22021 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 8.91274 5.64744 8.49118 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 8.91833 15.9091 9.33919 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 13.2626 15.9091 9.33919 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 12.6162 7.9151 9.33919 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 12.6162 7.9151 9.79143 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 6.89722 13.9156 8.70481 12.6162 7.9151 6.43377 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 7.26679 8.31041 9.96396 8.91833 7.9151 9.33919 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 7.26679 5.44275 6.19304 8.91833 7.9151 9.79143 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.26679 11.2674 8.70481 8.91833 7.9151 6.43377 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 9.30776 8.31041 9.75218 8.91833 5.44172 9.33919 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 16.7861 11.1062 8.2236 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 6.99723 10.7123 5.72373 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 9.24435 4.70102 4.51266 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 7.59434 5.32538 6.95549 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 8.69888 11.5099 9.0018 13.3893 8.19969 5.08591 numMergedOcc 0
27 mol 175 unq 2 iso 0 dist 8.69888 5.50014 5.6234 13.3893 8.19969 8.03727 numMergedOcc 0
28 mol 175 unq 3 iso 0 dist 5.08206 12.1783 9.0018 12.875 8.19969 5.08591 numMergedOcc 0
29 mol 175 unq 4 iso 0 dist 5.08206 7.28617 5.6234 12.875 8.19969 8.03727 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 8.0974 13.9722 7.17202 9.24862 6.39077 7.12045 numMergedOcc 0
31 mol 178 unq 1 iso 0 dist 8.0974 13.5599 8.81551 9.24862 6.39077 8.94945 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 9.67457 5.82028 6.18308 11.0728 7.86189 9.08674 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 8.43766 7.07028 6.7547 10.3976 4.98428 5.31963 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 9.71144 8.83842 7.72403 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 9.71144 8.83842 6.35438 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 8.47009 4.74041 9.36357 9.71144 5.43327 7.72403 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 8.47009 6.16697 6.7625 9.71144 5.43327 6.35438 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 6.37342 5.29737 6.16342 7.84904 4.86449 5.45139 numMergedOcc 0
39 mol 248 unq 0 iso 0 dist 8.71859 6.33032 7.21521 12.477 5.41499 9.12664 numMergedOcc 0
40 mol 248 unq 1 iso 0 dist 8.71859 11.762 8.2965 12.477 5.41499 6.51383 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 9.81667 4.63899 7.64122 numMergedOcc 0
