0 mol 53 unq 0 iso 0 dist 8.83047 8.5021 9.61785 14.3035 7.09169 15.0694 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.4928 8.04272 4.82351 5.09908 9.96399 10.5084 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 8.4928 8.04272 4.82351 10.0675 7.55695 9.90939 numMergedOcc 0
3 mol 60 unq 2 iso 0 dist 8.4928 8.04272 4.82351 14.3334 8.82176 11.6165 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 5.12044 8.54555 7.18126 5.05869 5.69971 11.5413 numMergedOcc 0
5 mol 65 unq 1 iso 0 dist 5.12044 8.54555 7.18126 6.13504 9.83239 13.2643 numMergedOcc 0
6 mol 65 unq 2 iso 0 dist 5.12044 8.54555 7.18126 5.38234 8.37515 6.76508 numMergedOcc 0
7 mol 65 unq 3 iso 0 dist 5.12044 7.0386 6.00418 5.05869 5.69971 7.90294 numMergedOcc 0
8 mol 65 unq 4 iso 0 dist 5.12044 7.0386 6.00418 6.13504 9.83239 13.1118 numMergedOcc 0
9 mol 65 unq 5 iso 0 dist 5.12044 7.0386 6.00418 5.38234 8.37515 8.22785 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.924 9.04728 6.85215 3.85308 7.33422 7.54568 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.22996 8.96747 12.0757 6.09495 6.49956 8.91313 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 4.83761 9.18949 5.6462 8.39675 8.97264 10.8906 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 4.83761 9.18949 5.6462 10.3233 8.80896 11.3309 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.53031 9.26919 10.7591 7.63236 8.47347 14.8779 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 8.63008 8.09776 7.50057 13.445 6.26839 12.4952 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 8.63008 8.09776 7.50057 15.3582 8.12346 15.1649 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 8.63008 8.09776 7.50057 10.977 8.83356 6.72379 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 8.63008 8.09776 7.50057 16.6746 8.2654 13.2138 numMergedOcc 0
19 mol 194 unq 4 iso 0 dist 8.63008 5.4455 5.92931 13.445 6.26839 8.65535 numMergedOcc 0
20 mol 194 unq 5 iso 0 dist 8.63008 5.4455 5.92931 15.3582 8.12346 12.0009 numMergedOcc 0
21 mol 194 unq 6 iso 0 dist 8.63008 5.4455 5.92931 10.977 8.83356 12.645 numMergedOcc 0
22 mol 194 unq 7 iso 0 dist 8.63008 5.4455 5.92931 16.6746 8.2654 13.9101 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 5.46768 9.25935 6.0634 7.00308 6.60567 7.36683 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 5.46768 9.25935 6.0634 5.34788 7.62942 9.26504 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.92698 8.64294 6.41774 6.27022 9.66465 11.0244 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.98606 9.54381 8.62248 6.01492 7.71657 10.1085 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 8.04138 9.73172 13.537 6.42903 7.67245 6.62841 numMergedOcc 0
28 mol 278 unq 1 iso 0 dist 8.04138 9.73172 13.537 10.3943 9.12395 11.3027 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.84798 5.94449 5.89415 13.8061 8.29305 13.6219 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 8.84798 5.94449 5.89415 7.7504 6.43341 9.09855 numMergedOcc 0
31 mol 279 unq 2 iso 0 dist 8.84798 8.61452 14.0491 13.8061 8.29305 19.7056 numMergedOcc 0
32 mol 279 unq 3 iso 0 dist 8.84798 8.61452 14.0491 7.7504 6.43341 13.4294 numMergedOcc 0
33 mol 279 unq 4 iso 0 dist 8.84798 7.66302 15.1378 13.8061 8.29305 16.8274 numMergedOcc 0
34 mol 279 unq 5 iso 0 dist 8.84798 7.66302 15.1378 7.7504 6.43341 10.6879 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 6.91282 7.84236 8.43801 11.0508 8.0241 14.1588 numMergedOcc 0
