0 mol 0 unq 0 iso 0 dist 6.3267 8.34244 6.0597 4.04089 7.48645 6.64713 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.29529 9.57198 4.45625 6.81435 10.4906 8.076 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.29529 9.57198 4.45625 13.6861 10.3282 6.32226 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.2199 9.57198 6.0397 6.81435 9.82483 8.076 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 7.2199 9.57198 6.0397 13.6861 9.22214 6.32226 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 8.11206 7.60283 7.47886 14.2471 10.4028 7.45532 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.71914 8.2946 6.45654 6.51847 6.93364 6.15801 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 7.71914 9.25346 11.9626 6.51847 6.93364 9.63403 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 8.59109 5.55096 8.70414 4.52443 12.5773 8.80014 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 8.13782 5.55096 6.39184 4.52443 7.95778 8.80014 numMergedOcc 0
10 mol 45 unq 2 iso 0 dist 8.13782 9.62637 13.1805 7.91752 10.537 9.32898 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.54797 7.34031 12.9941 10.2706 19.0066 7.59316 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 9.76285 7.281 13.0328 10.3548 19.1836 7.51285 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 9.76285 7.281 13.0328 10.9405 14.829 8.86698 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.96494 9.11258 13.4366 9.17656 14.6093 6.62229 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 7.01363 9.11258 8.88332 9.17656 12.8203 6.62229 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 9.86739 9.83981 9.47219 8.36453 8.06525 9.35942 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 9.86739 9.83981 9.47219 17.1979 15.0678 7.42482 numMergedOcc 0
18 mol 114 unq 2 iso 0 dist 9.86739 8.809 6.76585 7.70536 8.11094 9.17466 numMergedOcc 0
19 mol 114 unq 3 iso 0 dist 9.49413 6.51395 9.47219 6.18257 8.06525 9.35942 numMergedOcc 0
20 mol 114 unq 4 iso 0 dist 9.49413 6.51395 9.47219 10.4498 15.0678 7.42482 numMergedOcc 0
21 mol 114 unq 5 iso 0 dist 9.49413 8.809 13.9603 7.70536 14.8762 9.17466 numMergedOcc 0
22 mol 114 unq 6 iso 0 dist 8.39249 9.83981 14.0577 8.36453 11.9332 9.35942 numMergedOcc 0
23 mol 114 unq 7 iso 0 dist 8.39249 9.83981 14.0577 17.1979 20.6751 7.42482 numMergedOcc 0
24 mol 114 unq 8 iso 0 dist 8.39249 5.79343 6.76585 4.69847 8.11094 9.17466 numMergedOcc 0
25 mol 114 unq 9 iso 0 dist 8.93623 9.83981 10.6837 8.36453 15.1774 9.35942 numMergedOcc 0
26 mol 114 unq 10 iso 0 dist 8.93623 9.83981 10.6837 17.1979 15.8708 7.42482 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 6.98849 6.87262 6.15037 9.24851 7.59814 7.82544 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 6.98849 6.87262 6.15037 6.19569 9.7775 6.18808 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 6.2135 5.26989 8.7258 8.00633 12.4542 6.94988 numMergedOcc 0
30 mol 173 unq 0 iso 0 dist 9.79554 6.64779 15.1434 10.2821 19.7874 8.03528 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 4.79852 5.4997 4.30489 5.95187 7.01126 5.89564 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 4.79852 6.99693 4.57622 5.95187 7.01126 5.60528 numMergedOcc 0
33 mol 175 unq 2 iso 0 dist 4.79852 6.99693 4.57622 5.46129 6.58434 5.5995 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 6.41318 9.86703 12.2576 4.05564 9.68977 7.74683 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 7.51827 7.73748 6.16433 7.13893 5.13453 8.20162 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 5.32183 7.22019 6.56416 5.3976 9.06084 6.00582 numMergedOcc 0
37 mol 243 unq 0 iso 0 dist 9.1101 7.12785 4.78857 8.16841 6.01071 7.44706 numMergedOcc 0
38 mol 243 unq 1 iso 0 dist 8.93338 6.66959 4.78857 6.03041 6.01071 7.44706 numMergedOcc 0
39 mol 250 unq 0 iso 0 dist 8.86638 6.28538 7.73342 7.62569 12.4662 5.93798 numMergedOcc 0
40 mol 250 unq 1 iso 0 dist 5.94383 6.28538 5.66455 7.62569 10.7645 5.93798 numMergedOcc 0
41 mol 250 unq 2 iso 0 dist 8.16469 6.28538 4.45194 7.62569 9.03319 5.93798 numMergedOcc 0
