0 mol 73 unq 0 iso 0 dist 9.87177 15.6688 6.8173 15.4463 10.1233 7.37171 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.87177 15.6688 6.8173 8.06168 4.49951 8.62079 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 6.70925 8.22845 6.8173 12.1964 10.1233 7.37171 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 6.70925 8.22845 6.8173 8.67532 4.49951 8.62079 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 8.95756 6.96897 6.8173 13.0791 10.1233 7.37171 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 8.95756 6.96897 6.8173 11.9045 4.49951 8.62079 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.4046 3.48087 9.27633 9.72689 12.4767 9.07128 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.93688 13.7708 9.22123 14.0535 6.82886 4.17838 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.88184 11.0283 9.22123 10.9783 6.82886 4.17838 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.63817 5.56456 9.88156 10.0854 16.1459 9.72387 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 5.82034 10.5092 8.62135 10.7523 5.90364 6.73617 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 6.56854 9.7319 8.62135 11.2617 5.90364 6.73617 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.13872 3.55808 6.19329 9.58911 5.07895 9.70481 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 9.92635 6.58331 4.77438 12.8756 5.25981 9.1139 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 9.92635 12.5326 5.73344 12.8756 5.25981 9.20677 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 7.85507 5.46887 4.77438 11.6186 5.25981 9.1139 numMergedOcc 0
16 mol 183 unq 3 iso 0 dist 7.85507 11.1336 5.73344 11.6186 5.25981 9.20677 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.86348 5.18174 8.51947 7.80299 5.85613 9.65093 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 5.79753 3.70636 7.06868 8.3337 8.69245 9.23086 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 5.79753 3.70636 7.06868 5.41292 4.6678 8.37086 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 7.56537 8.82321 7.06868 12.045 8.69245 9.23086 numMergedOcc 0
21 mol 197 unq 3 iso 0 dist 7.56537 8.82321 7.06868 11.7166 4.6678 8.37086 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 8.22146 3.78464 7.49503 8.30443 6.29819 8.72831 numMergedOcc 0
23 mol 199 unq 1 iso 0 dist 7.16849 3.78464 9.2815 8.30443 4.26752 8.72831 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.09754 3.83801 5.32465 9.90206 6.4623 7.13783 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.20243 12.314 9.91332 19.397 15.5022 8.94231 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 8.20243 12.314 9.91332 18.4601 12.4843 8.88652 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 8.20243 12.314 9.91332 13.4809 7.22173 6.46771 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.97113 9.58753 8.75224 9.12507 13.3027 8.25897 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 8.38479 6.78897 8.75224 9.57887 13.3027 8.25897 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 6.98812 13.0312 6.80043 14.6396 7.8929 5.7944 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 8.00159 4.20802 8.04081 8.11838 5.17381 5.72327 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 8.00159 4.20802 8.04081 7.88897 5.89928 5.81301 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 8.00159 4.20802 8.04081 12.5012 7.75491 9.81201 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.92332 12.4675 7.89784 10.9895 12.9146 9.96374 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 9.86356 12.5696 7.75936 10.6802 5.25596 8.88595 numMergedOcc 0
