0 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 8.95294 9.13179 7.04695 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.29216 9.1715 4.96555 7.19022 9.13179 7.04695 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 8.41365 10.352 10.1332 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 7.36397 6.12826 12.219 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 4.85152 5.90776 6.82886 6.58062 5.02124 9.97281 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.26463 8.88255 9.35307 8.05492 7.20747 7.15817 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 6.66749 5.53162 8.94456 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.74209 7.83582 12.1389 6.29125 14.3113 4.90549 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 9.74209 9.89896 12.4171 6.29125 14.3113 12.7245 numMergedOcc 0
9 mol 140 unq 2 iso 0 dist 9.74209 9.68229 16.7631 6.29125 14.3113 6.69673 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.98097 7.97349 7.20524 8.12409 9.3538 5.76709 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 9.40225 10.3893 7.29758 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 9.40225 10.3893 8.67156 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.98636 9.19499 8.58765 9.40225 13.7819 7.29758 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 8.98636 7.11647 5.6208 9.40225 13.7819 8.67156 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 8.79185 9.19499 9.07974 9.40225 7.02779 7.29758 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 8.79185 7.11647 5.70205 9.40225 7.02779 8.67156 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 9.41152 7.98018 4.7382 4.94012 6.75279 4.53931 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 9.30874 9.80135 6.25083 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 5.54873 4.97806 4.77278 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.03259 6.58792 5.07895 9.30874 9.80135 10.5753 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 8.03259 6.58792 5.07895 5.54873 4.97806 5.88819 numMergedOcc 0
22 mol 203 unq 0 iso 0 dist 6.8395 9.36402 6.78107 9.47629 5.26458 9.27605 numMergedOcc 0
23 mol 219 unq 0 iso 0 dist 7.98941 6.8424 10.9246 9.69976 10.277 4.52622 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.7163 7.07564 5.63485 9.97425 5.46434 9.36098 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 7.7163 9.11052 10.3532 9.97425 5.46434 14.7761 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 9.97425 11.0842 9.36098 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 9.2 9.11052 6.38066 9.97425 11.0842 14.7761 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.78444 8.7017 7.87566 8.5166 13.3407 10.0774 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.34471 8.40766 9.45618 9.11168 10.1271 5.95565 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 8.83777 7.07459 12.7283 8.62043 10.0256 8.34559 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.42812 7.07459 13.8339 8.62043 8.46112 8.34559 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.36655 8.68797 5.34376 8.50767 11.5371 7.69081 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 8.76889 5.70546 9.36068 6.10834 7.28266 5.34838 numMergedOcc 0
34 mol 279 unq 2 iso 0 dist 6.37469 5.70546 5.13535 6.10834 5.191 5.34838 numMergedOcc 0
