0 mol 4 unq 0 iso 0 dist 8.23852 6.10734 6.996 10.8791 13.4201 7.35416 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.53436 5.66059 5.94028 6.77258 10.8707 5.59965 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.12013 6.19304 8.43877 6.44044 10.9537 8.5315 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.89682 6.67704 10.4533 5.31805 8.91744 8.5315 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.99379 9.09041 9.12695 12.4018 15.7841 8.03296 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.99379 9.09041 9.12695 5.71329 10.9594 5.82754 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 8.99379 9.09041 9.12695 10.427 11.682 8.87742 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 4.81103 4.94406 7.14031 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.2491 6.04768 7.43547 4.81103 7.2337 7.14031 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 3.59451 9.40173 7.43547 7.22196 7.2337 7.14031 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.37708 7.03339 4.6963 5.54999 10.865 7.80873 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.07096 8.05937 6.4025 7.21894 11.9801 7.20249 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 8.15971 8.2793 10.5488 6.27138 12.9461 6.11502 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 8.15971 8.2793 10.5488 5.61158 11.2037 6.33431 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 5.309 9.15984 8.21184 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 6.47989 8.32841 5.46268 6.07262 8.32227 5.9976 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 6.47989 6.00295 4.78734 5.309 9.15984 5.41575 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 6.47989 6.00295 4.78734 6.07262 8.32227 6.86566 numMergedOcc 0
18 mol 156 unq 4 iso 0 dist 9.04176 6.40435 5.0315 6.47073 12.3747 8.37434 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 4.35909 8.50938 6.70394 12.7855 13.0487 7.32087 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.77393 8.50938 10.8517 12.7855 12.5826 7.32087 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 5.13722 6.65725 8.44389 4.84884 5.0207 7.54099 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 5.19654 6.28889 7.03947 9.7127 13.4513 9.40801 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 4.97624 10.7136 5.70795 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 8.11884 9.31961 6.82173 11.1373 10.8564 6.37963 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 8.11884 9.31961 6.82173 12.3321 7.40057 6.00636 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.36052 8.16005 5.527 5.63899 10.8281 7.16346 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.83777 7.88238 12.5151 13.008 16.9867 8.20644 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.42812 7.88238 5.10104 13.008 5.92532 8.20644 numMergedOcc 0
