0 mol 15 unq 0 iso 0 dist 6.88546 5.68079 5.69755 5.63041 5.89412 8.4014 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.3768 4.8983 4.39723 4.30874 11.4376 7.37171 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.3768 4.8983 4.39723 6.97502 12.2095 8.62079 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.13535 4.8983 4.1846 4.30874 10.9586 7.37171 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.13535 4.8983 4.1846 6.97502 9.06229 8.62079 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 10.7979 11.5566 7.69926 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 10.7979 11.5566 5.85237 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 15.9875 10.8523 9.11768 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.83135 9.43839 5.22259 14.4751 11.5566 7.69926 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 7.01545 5.6516 5.46401 6.63027 12.2282 7.74064 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.31426 6.34669 3.77771 5.60777 5.37007 4.17838 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 9.18949 8.50362 9.91987 10.3233 11.3309 8.57739 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 6.62527 5.78493 7.72948 4.57807 11.1956 8.2777 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.46376 9.57243 3.84623 12.8338 9.79216 7.46621 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 10.0459 11.3523 6.79114 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.49831 9.07315 11.2086 10.0459 11.3523 7.59457 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.49831 9.07315 11.2086 14.7437 15.7496 9.00072 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 8.49831 9.07315 11.2086 10.719 15.1851 7.55419 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 13.445 12.4952 9.52922 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.09776 9.81055 15.4151 18.4888 23.2668 9.38984 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 19.6126 25.056 9.91118 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 5.4455 7.56217 3.7326 13.445 8.65535 9.52922 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 5.4455 9.81055 7.29209 18.4888 16.3832 9.38984 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 5.4455 9.81055 7.29209 19.6126 16.8644 9.91118 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 8.28295 7.94413 4.73496 4.81051 6.34616 6.77156 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 7.60896 9.09279 10.3958 5.96471 12.4684 8.55044 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 4.75041 10.6345 5.77511 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 9.29788 6.93942 5.68255 8.65261 12.7624 9.27311 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 9.29788 9.05161 5.57952 4.75041 10.6345 7.81382 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 8.64294 9.80396 5.35601 6.27022 11.0244 8.94786 numMergedOcc 0
30 mol 253 unq 4 iso 0 dist 8.64294 6.3093 6.06804 4.84708 13.1856 9.19385 numMergedOcc 0
31 mol 253 unq 5 iso 0 dist 8.64294 6.3093 6.06804 6.27022 11.0244 9.1927 numMergedOcc 0
32 mol 253 unq 6 iso 0 dist 9.50983 9.31626 5.68255 8.62694 10.6345 5.77511 numMergedOcc 0
33 mol 253 unq 7 iso 0 dist 9.50983 9.31626 5.68255 14.0529 12.7624 9.27311 numMergedOcc 0
34 mol 253 unq 8 iso 0 dist 9.50983 9.77366 5.57952 8.62694 10.6345 7.81382 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 6.77259 4.95415 5.26919 5.98169 10.7037 9.29666 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 6.46935 7.08681 8.21781 9.237 11.7541 5.03601 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 15.908 14.0184 9.96374 numMergedOcc 0
