0 mol 1 unq 0 iso 0 dist 7.59404 6.06669 5.55519 5.1888 8.61411 5.74199 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.68072 8.80278 15.9008 4.35292 10.9753 9.36839 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 8.99589 8.40835 7.05769 13.4556 15.5011 9.25986 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.67331 8.74565 15.0431 6.03377 14.5043 8.07849 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.50163 8.74565 16.9928 6.03377 12.0727 8.07849 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.68759 9.72716 16.3994 6.27103 9.06219 8.30431 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 9.68759 9.72716 16.3994 6.86236 15.5515 4.628 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.60361 8.70106 15.0192 11.4822 18.2961 7.81042 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.34761 5.66196 6.11054 5.6579 10.1668 5.31281 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 6.34761 5.66196 6.11054 4.77912 10.8008 8.9922 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 9.99172 7.63425 5.8424 12.9585 13.0171 9.86842 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 8.6499 6.72591 14.778 7.50382 9.22427 9.71692 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 8.75339 6.80192 14.922 7.48524 9.32504 9.73708 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.8024 6.6514 11.1988 10.8805 19.3396 9.82329 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.83021 8.98221 14.9776 13.6469 21.7473 9.08767 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.82838 4.90334 5.55359 6.42715 7.19213 7.00683 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 8.17025 4.90334 4.72843 6.42715 5.67196 7.00683 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.61657 6.11123 5.5806 4.84006 11.3863 8.23246 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 6.54042 7.6174 9.96567 8.00807 12.1792 7.20862 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.49227 9.09371 7.27568 9.22288 6.14732 5.2851 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.37648 9.49732 10.1526 17.4311 19.059 8.91916 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 6.37648 9.49732 10.1526 12.8835 14.5357 4.55368 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 5.33054 8.821 5.37953 5.9309 7.90132 7.53773 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 5.33054 9.82337 12.5084 14.0912 18.4456 8.3815 numMergedOcc 0
24 mol 283 unq 2 iso 0 dist 5.33054 9.82337 12.5084 10.1502 13.623 7.13925 numMergedOcc 0
25 mol 283 unq 3 iso 0 dist 8.56376 6.3448 12.5084 11.5049 18.4456 8.3815 numMergedOcc 0
26 mol 283 unq 4 iso 0 dist 8.56376 6.3448 12.5084 5.47552 13.623 7.13925 numMergedOcc 0
