0 mol 24 unq 0 iso 0 dist 6.54508 7.79911 3.33439 7.42417 5.78532 5.9372 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.54508 7.79911 3.33439 10.5851 8.49709 6.93597 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.36381 8.6586 3.67206 6.53276 4.44526 7.8619 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.36381 8.6586 3.67206 6.81998 9.586 11.0098 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.63803 7.89667 8.86888 10.5687 6.07276 13.6671 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.55202 8.79378 9.44812 10.7567 5.43693 14.4898 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.63973 6.46582 3.35924 13.5835 8.77077 10.7123 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.57705 9.00872 7.0748 4.32712 8.02443 10.3715 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.57705 9.00872 7.0748 11.1935 9.09458 14.2918 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.54368 8.30746 7.35325 4.16536 8.98912 8.43964 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.54368 8.30746 7.35325 9.64683 8.93769 10.7471 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.43496 8.14427 3.70642 15.7834 6.87506 9.69694 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.3505 9.68556 17.213 11.9783 9.84703 20.4162 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.3505 9.68556 17.213 7.43001 4.62494 16.876 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.45412 5.38983 11.7784 10.9024 7.8929 15.6574 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 4.92611 6.34626 11.6264 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.53559 5.06053 10.2785 4.92611 6.34626 9.93115 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 8.09774 7.84813 9.87781 6.15789 6.34626 12.0376 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 8.85403 7.70383 6.15206 3.98961 9.10637 10.3141 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 9.23064 8.97414 6.06538 4.10406 9.85438 11.1579 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 9.23064 8.00063 13.0096 4.10406 9.85438 11.1511 numMergedOcc 0
21 mol 168 unq 2 iso 0 dist 7.30338 8.97414 9.99868 4.10406 9.42807 11.1579 numMergedOcc 0
22 mol 168 unq 3 iso 0 dist 7.30338 8.00063 3.5168 4.10406 9.42807 11.1511 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 6.51523 7.06555 7.20382 4.98945 7.47964 10.2367 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.27396 9.10344 3.30691 12.4352 7.58375 10.6243 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.18289 6.99587 4.97041 6.33168 6.56416 7.37629 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.18289 4.37577 6.50779 6.33168 6.56416 5.68985 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 6.52441 6.99587 4.75583 6.33168 6.88127 7.37629 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 6.52441 4.37577 3.11607 6.33168 6.88127 5.68985 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 6.26168 6.99587 5.53349 5.18732 9.99396 12.0142 numMergedOcc 0
30 mol 186 unq 5 iso 0 dist 6.26168 4.37577 4.65666 5.18732 9.99396 9.5207 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 7.6482 8.85223 3.42559 5.15888 8.66624 8.34477 numMergedOcc 0
32 mol 196 unq 0 iso 0 dist 8.76076 9.34759 15.8037 4.0207 8.48879 13.1216 numMergedOcc 0
33 mol 196 unq 1 iso 0 dist 4.36496 9.34759 10.0295 4.0207 5.89591 13.1216 numMergedOcc 0
34 mol 196 unq 2 iso 0 dist 7.34995 9.34759 6.367 4.0207 9.72376 13.1216 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 5.39924 9.82099 14.4239 4.32578 7.39085 7.26232 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 4.97796 9.82713 10.6981 6.70266 9.65868 13.9254 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 4.97796 9.82713 10.6981 5.15747 8.60027 8.09181 numMergedOcc 0
