0 mol 18 unq 0 iso 0 dist 6.41856 5.03976 5.01478 8.35401 3.96312 6.44368 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 5.03976 7.04695 8.35401 13.06 6.44368 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.16494 5.77643 5.32981 5.51172 4.55481 4.22398 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.79726 7.93317 11.5972 8.52697 5.09159 13.5391 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 7.79726 7.93317 11.5972 9.66612 3.73197 12.6233 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 7.79726 7.11013 5.59971 8.52697 5.09159 4.1859 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 7.79726 7.11013 5.59971 9.66612 3.73197 6.90535 numMergedOcc 0
7 mol 79 unq 4 iso 0 dist 7.79726 9.62096 14.4245 8.52697 5.09159 17.0218 numMergedOcc 0
8 mol 79 unq 5 iso 0 dist 7.79726 9.62096 14.4245 9.66612 3.73197 16.4359 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.10877 5.77804 5.33106 9.43355 10.8106 12.1673 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.10877 5.77804 5.33106 5.64141 7.14217 7.30779 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 9.10877 5.77804 5.33106 5.46186 12.9351 9.18194 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.11612 9.36283 6.34759 6.17349 4.48636 9.00091 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.11612 9.36283 6.34759 9.21978 6.63111 6.04071 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.60425 9.77482 11.3679 5.20001 6.57678 6.95589 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 9.60425 9.0428 15.2823 5.20001 6.57678 13.3894 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.76166 6.33375 5.9915 9.13631 11.5407 11.3936 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 6.76166 8.06229 5.45435 9.13631 11.5407 13.7562 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 7.2977 6.33375 10.7186 9.13631 5.91192 11.3936 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 7.2977 8.06229 8.47569 9.13631 5.91192 13.7562 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 8.53451 6.66451 13.71 6.76896 12.6805 4.23789 numMergedOcc 0
21 mol 146 unq 1 iso 0 dist 7.24965 6.66451 9.18212 6.76896 8.33152 4.23789 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 9.23551 7.9061 8.59354 8.73613 5.59468 11.4653 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 9.23551 4.48898 8.54341 8.73613 5.59468 7.68412 numMergedOcc 0
24 mol 147 unq 2 iso 0 dist 7.4653 7.6489 5.08802 8.10157 10.5361 13.6845 numMergedOcc 0
25 mol 147 unq 3 iso 0 dist 7.95564 7.6489 8.54445 8.10157 8.88819 13.6845 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 9.03632 7.63085 6.63727 6.68721 13.7172 9.88872 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 7.14849 8.71031 5.25267 5.4647 6.42973 5.88866 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.50454 7.82604 8.93318 9.19831 4.61184 5.08641 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 9.50454 8.22583 9.60512 9.19831 4.61184 10.9122 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.15963 7.82604 8.25067 9.19831 9.83826 5.08641 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 7.15963 8.22583 14.8479 9.19831 9.83826 10.9122 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 9.23844 5.02756 5.21956 8.15661 5.53809 4.03073 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 4.89168 9.85284 7.12868 9.49016 5.71505 10.9216 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 4.89168 9.85284 7.12868 8.92798 4.81639 8.76406 numMergedOcc 0
