0 mol 10 unq 0 iso 0 dist 9.1686 8.18003 9.75001 7.28753 6.68744 3.25792 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.1686 11.9528 9.06457 7.28753 6.68744 4.68389 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.99402 4.22006 9.75001 4.84364 6.68744 3.25792 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 8.99402 4.87654 9.06457 4.84364 6.68744 4.68389 numMergedOcc 0
4 mol 10 unq 4 iso 0 dist 7.3489 14.2329 9.75001 11.1641 6.68744 3.25792 numMergedOcc 0
5 mol 10 unq 5 iso 0 dist 7.3489 13.9362 9.06457 11.1641 6.68744 4.68389 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 5.86243 5.45205 8.62204 6.19943 5.17241 5.08577 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 7.55357 9.37501 8.62204 5.09927 5.17241 5.08577 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 6.04551 13.0891 9.07969 15.0431 9.54119 4.91531 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 6.04551 13.0891 9.07969 4.92775 7.87476 11.0434 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 6.04551 14.1866 9.61448 15.0431 9.54119 4.38297 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 6.04551 14.1866 9.61448 4.92775 7.87476 12.4168 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 6.01454 12.665 8.94842 15.1442 9.77004 5.22869 numMergedOcc 0
13 mol 48 unq 5 iso 0 dist 6.01454 12.665 8.94842 4.89976 8.36323 11.1154 numMergedOcc 0
14 mol 48 unq 6 iso 0 dist 6.01454 14.1985 9.9555 15.1442 9.77004 4.48872 numMergedOcc 0
15 mol 48 unq 7 iso 0 dist 6.01454 14.1985 9.9555 4.89976 8.36323 12.8399 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 6.6146 6.55381 8.48639 4.77556 5.28331 5.4118 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 8.67865 5.99325 8.67475 10.8271 7.80279 10.7189 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.50054 9.23498 9.88678 6.91242 9.79115 6.99182 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 6.21267 5.49911 8.41645 10.0862 8.58178 7.2705 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 6.21267 5.49911 8.41645 8.68367 4.77438 8.51377 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 6.21267 5.49911 8.41645 8.36315 5.73344 11.2827 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 7.41743 10.5387 8.41645 10.0647 8.58178 7.2705 numMergedOcc 0
23 mol 183 unq 4 iso 0 dist 7.41743 10.5387 8.41645 7.5521 4.77438 8.51377 numMergedOcc 0
24 mol 183 unq 5 iso 0 dist 7.41743 10.5387 8.41645 3.17225 5.73344 11.2827 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.45847 16.6018 9.16535 4.75805 8.98606 14.5445 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 8.51118 7.01801 8.18029 11.048 7.06868 5.46446 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.71944 4.22586 9.65116 4.93894 8.32306 5.54474 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.76477 10.2308 9.11418 10.0206 9.69133 3.43286 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 6.82688 13.0806 9.11418 11.775 9.69133 3.43286 numMergedOcc 0
30 mol 232 unq 2 iso 0 dist 5.92175 6.2559 9.11418 6.89215 9.69133 3.43286 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 7.58833 6.46469 9.1515 8.32339 7.80866 3.54511 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 8.98346 12.6474 5.81865 13.6472 9.95749 5.65819 numMergedOcc 0
33 mol 260 unq 0 iso 0 dist 8.13696 7.37194 7.4261 6.61744 8.43724 9.98348 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 8.14494 3.87012 7.11952 6.79594 9.08396 3.50268 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.23539 5.38166 8.18813 13.6904 9.48076 17.1919 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 9.84011 7.42894 4.86946 8.19595 9.14721 6.18318 numMergedOcc 0
37 mol 283 unq 1 iso 0 dist 9.84011 7.42894 4.86946 7.37483 7.15322 3.34167 numMergedOcc 0
38 mol 283 unq 2 iso 0 dist 7.88405 5.28913 9.60873 5.01922 8.91437 3.12129 numMergedOcc 0
