0 mol 48 unq 0 iso 0 dist 5.41774 9.90363 7.78899 7.34462 7.95815 6.47086 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 5.40748 8.86892 8.79235 7.88793 9.31516 9.01319 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.63973 7.7047 6.14248 15.9053 9.3711 13.4778 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 6.63973 4.00834 6.97936 15.9053 9.3711 15.1961 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 6.63973 9.6911 5.00466 15.9053 9.3711 8.38148 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.44737 10.677 9.76849 8.36516 6.89706 13.2069 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.31773 10.7419 8.86846 7.4889 8.32738 6.04192 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 9.87191 8.77017 8.28931 5.17486 8.75205 4.44169 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 9.21528 7.43615 8.28931 6.28627 8.75205 4.44169 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.67042 10.3732 5.23695 11.5809 7.9883 8.36211 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.01072 9.77148 5.23695 8.56151 7.9883 8.36211 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 7.11781 5.18427 5.23695 7.36394 7.9883 8.36211 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 8.77539 5.16811 5.23695 8.38405 7.9883 8.36211 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 5.82945 7.43279 9.67398 6.44931 6.98077 12.2864 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 5.82945 9.91399 7.15213 6.44931 6.98077 7.55204 numMergedOcc 0
15 mol 139 unq 0 iso 0 dist 7.02063 5.61614 6.79625 7.41954 9.07404 10.5769 numMergedOcc 0
16 mol 139 unq 1 iso 0 dist 7.02063 4.94393 7.20542 7.41954 9.07404 6.5333 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 7.93715 8.19854 5.08603 12.2163 9.19818 8.15721 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 7.93715 4.65303 5.77035 12.2163 9.19818 7.66978 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.69512 7.47443 5.63283 14.2869 8.71347 6.89035 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.96523 10.7482 9.32928 9.67509 5.68578 4.28792 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 7.96523 10.7482 9.32928 13.9346 9.50933 16.9613 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 7.96523 6.54316 7.98794 9.67509 5.68578 10.6145 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 7.96523 6.54316 7.98794 13.9346 9.50933 8.52005 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 6.22195 6.31111 4.93584 7.00525 9.0208 10.9544 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 6.22195 6.31111 4.93584 9.84205 9.30393 5.98829 numMergedOcc 0
26 mol 266 unq 2 iso 0 dist 6.22195 5.57126 5.60245 7.00525 9.0208 7.07103 numMergedOcc 0
27 mol 266 unq 3 iso 0 dist 6.22195 5.57126 5.60245 9.84205 9.30393 5.11334 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 8.89714 15.6015 6.95569 12.565 5.63226 4.62586 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 7.60738 4.22263 6.00439 10.4435 9.33418 7.59308 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 7.81241 9.48513 5.7547 12.3631 9.4181 8.99445 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 7.81241 9.48513 5.7547 5.49773 5.05882 5.06928 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.78796 11.5719 7.32002 12.3343 6.79765 6.01509 numMergedOcc 0
