0 mol 24 unq 0 iso 0 dist 6.36381 8.6586 3.67206 5.80023 7.27472 10.551 6.53276 4.44526 7.8619 6.38336 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.36381 8.6586 3.67206 5.80023 7.27472 10.551 6.81998 9.586 11.0098 6.7828 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55202 8.79378 9.44812 4.53545 9.9787 10.4788 10.7567 5.43693 14.4898 11.1395 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.63973 6.46582 3.35924 9.42791 8.23026 9.92555 13.5835 8.77077 10.7123 6.5901 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.54368 8.30746 7.35325 5.1219 7.13008 4.17838 4.16536 8.98912 8.43964 7.05542 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.54368 8.30746 7.35325 5.1219 7.13008 4.17838 9.64683 8.93769 10.7471 10.9681 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.43496 8.14427 3.70642 9.56471 7.06939 9.48366 15.7834 6.87506 9.69694 9.44576 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.3505 9.68556 17.213 4.75138 5.10496 14.3025 11.9783 9.84703 20.4162 7.94178 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.3505 9.68556 17.213 4.75138 5.10496 14.3025 7.43001 4.62494 16.876 4.4057 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.3505 9.68556 17.213 10.4417 5.92242 17.4636 11.9783 9.84703 20.4162 15.7178 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.3505 9.68556 17.213 10.4417 5.92242 17.4636 7.43001 4.62494 16.876 7.42446 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 8.3505 9.68556 17.213 11.3628 5.2571 18.9347 11.9783 9.84703 20.4162 9.85543 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 8.3505 9.68556 17.213 11.3628 5.2571 18.9347 7.43001 4.62494 16.876 9.67482 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 8.3505 9.68556 17.213 13.9599 8.7497 21.7256 11.9783 9.84703 20.4162 7.28361 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 8.3505 9.68556 17.213 13.9599 8.7497 21.7256 7.43001 4.62494 16.876 12.0974 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 6.43966 5.51197 13.0143 4.92611 6.34626 11.6264 4.92472 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.53559 5.06053 10.2785 6.43966 5.51197 10.4172 4.92611 6.34626 9.93115 4.92472 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 8.09774 7.84813 9.87781 5.56946 5.51197 7.97548 6.15789 6.34626 12.0376 4.92472 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 7.30338 8.97414 9.99868 12.1014 6.02086 15.6838 4.10406 9.42807 11.1579 12.9045 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 7.30338 8.00063 3.5168 12.1014 6.02086 8.92592 4.10406 9.42807 11.1511 12.9045 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 8.27396 9.10344 3.30691 4.41193 5.96423 8.22001 12.4352 7.58375 10.6243 8.08596 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.52441 6.99587 4.75583 11.7795 7.2793 11.8448 6.33168 6.88127 7.37629 10.5063 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.52441 4.37577 3.11607 11.7795 7.2793 10.0218 6.33168 6.88127 5.68985 10.5063 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 7.6482 8.85223 3.42559 6.04074 7.88013 7.86092 5.15888 8.66624 8.34477 8.77113 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 4.97796 9.82713 10.6981 4.56913 6.4611 13.2967 6.70266 9.65868 13.9254 9.5468 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 4.97796 9.82713 10.6981 4.56913 6.4611 13.2967 5.15747 8.60027 8.09181 6.70925 numMergedOcc 0
