0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 10.2446 7.88043 12.1093 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.81066 10.6 12.3097 8.80762 11.3894 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 7.38017 10.6533 3.98483 9.78006 6.20227 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.07553 5.86882 5.97304 6.60423 5.47982 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.48457 9.9259 5.97304 6.60423 9.16583 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 5.54419 8.80127 7.6222 4.33963 4.93188 4.87192 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.36323 8.80127 11.7026 4.33963 9.24958 4.87192 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 9.07906 8.42544 5.48048 8.44903 14.341 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.43774 7.742 4.11544 5.73693 6.06454 9.70849 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 7.2846 7.742 4.91588 5.73693 9.44459 9.70849 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.95999 8.0413 6.22569 7.29086 9.44501 10.5129 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.33063 8.43677 4.15294 9.62257 9.96399 11.6727 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.33063 7.77255 9.10809 9.62257 9.96399 12.8837 numMergedOcc 0
13 mol 60 unq 2 iso 0 dist 8.7531 8.43677 6.10251 9.62257 7.55695 11.6727 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 8.7531 7.77255 6.67875 9.62257 7.55695 12.8837 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.97049 8.77199 5.46695 6.37974 7.1589 6.00564 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.95579 8.81824 6.62562 5.08358 8.00777 6.00564 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 6.19965 8.81824 5.46695 5.08358 7.1589 6.00564 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.87172 8.20715 4.55137 7.61939 7.99857 8.81779 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 6.44653 8.1671 4.98499 10.5192 8.93905 13.8174 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 5.87555 8.86966 8.18329 5.59336 8.35555 14.1528 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.87437 5.7527 8.18329 10.9728 8.35555 14.1528 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.29945 6.62757 13.4456 4.24624 8.0154 6.59925 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.29945 9.36354 14.5359 4.24624 8.0154 12.5175 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.69288 8.4173 4.43082 10.1489 4.92088 8.78897 numMergedOcc 0
25 mol 178 unq 1 iso 0 dist 7.17202 6.55543 4.43082 9.79302 4.92088 8.78897 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.54065 9.83935 4.527 8.90184 7.20574 11.5496 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.87694 9.83935 9.6018 8.90184 6.85302 11.5496 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 8.87694 9.83935 9.6018 12.8303 9.98215 18.1277 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 5.59424 8.63044 10.375 7.0057 7.24199 11.7104 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 6.03031 7.23959 9.73907 5.28092 8.44861 7.85966 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 7.26832 7.23959 12.3578 5.28092 5.60393 7.85966 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 6.61986 7.80754 4.32714 4.59567 8.37597 10.9543 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 6.61986 8.20295 8.95149 4.59567 8.37597 11.5065 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 7.09863 6.40086 6.16261 12.9587 8.38865 13.7859 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 7.19638 7.48298 6.56535 7.63376 7.50201 12.3574 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 7.19638 8.9483 4.51829 7.63376 7.50201 11.8392 numMergedOcc 0
37 mol 252 unq 2 iso 0 dist 7.19638 6.38733 3.6688 5.25252 6.86945 8.62955 numMergedOcc 0
38 mol 252 unq 3 iso 0 dist 7.19638 9.64349 6.57801 5.25252 6.86945 12.2989 numMergedOcc 0
