0 mol 5 unq 0 iso 0 dist 5.16484 8.96492 9.13041 3.85353 7.44029 12.2037 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.16484 7.35646 9.43038 3.85353 7.44029 10.5084 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.97803 6.0675 9.13041 10.6986 7.44029 12.2037 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.97803 4.49389 9.43038 10.6986 7.44029 10.5084 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 9.0378 7.58397 5.31016 11.6011 8.0072 4.23447 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.24056 6.29329 9.27409 8.40922 8.55202 4.07933 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.40754 15.1678 9.4486 9.93158 7.32064 8.39195 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 6.40754 15.1678 9.4486 8.1899 5.24136 7.90926 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 6.40754 15.1678 9.4486 8.24003 6.44687 11.1849 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 6.40754 15.1678 9.4486 11.5941 5.85007 7.71963 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 7.04867 15.0606 9.4486 12.8321 7.32064 8.39195 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 7.04867 15.0606 9.4486 9.87985 5.24136 7.90926 numMergedOcc 0
12 mol 78 unq 6 iso 0 dist 7.04867 15.0606 9.4486 5.16521 6.44687 11.1849 numMergedOcc 0
13 mol 78 unq 7 iso 0 dist 7.04867 15.0606 9.4486 12.6325 5.85007 7.71963 numMergedOcc 0
14 mol 78 unq 8 iso 0 dist 6.50374 15.2317 9.4486 13.3381 7.32064 8.39195 numMergedOcc 0
15 mol 78 unq 9 iso 0 dist 6.50374 15.2317 9.4486 11.5375 5.24136 7.90926 numMergedOcc 0
16 mol 78 unq 10 iso 0 dist 6.50374 15.2317 9.4486 9.94415 6.44687 11.1849 numMergedOcc 0
17 mol 78 unq 11 iso 0 dist 6.50374 15.2317 9.4486 9.61131 5.85007 7.71963 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 7.66384 5.73864 5.91009 10.3518 7.84642 6.11879 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 6.73849 6.33276 5.59552 5.87008 9.68629 11.7168 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 7.56534 6.50009 9.49995 9.58465 9.70292 5.88327 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 7.56534 6.50009 9.49995 4.62357 9.59704 3.96826 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 9.64521 5.05676 8.48774 8.79725 6.67635 7.60413 numMergedOcc 0
23 mol 128 unq 0 iso 0 dist 7.44522 5.9373 8.87314 3.96732 9.67042 5.53655 numMergedOcc 0
24 mol 128 unq 1 iso 0 dist 7.44522 5.9373 8.87314 12.7695 7.95999 10.4634 numMergedOcc 0
25 mol 146 unq 0 iso 0 dist 8.76978 10.8129 7.13378 7.30974 6.93154 8.9669 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 6.54331 6.74376 7.91434 3.90092 6.00783 5.52164 numMergedOcc 0
27 mol 169 unq 1 iso 0 dist 6.54331 7.76151 7.79437 3.90092 6.00783 8.86736 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 9.61963 4.27276 7.81769 6.20657 9.6936 3.86668 numMergedOcc 0
