0 mol 6 unq 0 iso 0 dist 9.38351 6.10198 6.1462 13.9523 6.36157 8.54844 16.6659 8.15992 11.5054 5.27713 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.38351 9.37554 9.12796 13.9523 6.36157 8.60722 16.6659 8.15992 12.0011 5.27713 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.68091 12.7755 9.00925 4.04843 8.68949 16.2669 4.66983 9.31461 15.5014 3.84732 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.05728 5.05927 7.38928 9.57046 9.40644 8.74683 11.3291 7.99434 9.85208 3.85292 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.05728 5.05927 7.38928 4.91237 5.35252 5.03338 11.3291 7.99434 9.85208 6.44604 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 15.8477 8.64686 9.57704 12.5904 6.65972 8.14479 4.13187 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.01516 10.5523 7.41952 15.8477 8.64686 9.57704 7.80434 4.2253 9.07516 9.13196 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.52891 3.94367 8.98151 6.87376 5.83719 8.21735 4.58529 9.64136 4.24788 11.1718 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 4.74644 7.6453 5.06265 3.54691 4.4077 6.14663 6.61102 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 7.13958 4.99299 7.07421 4.74644 7.6453 5.06265 5.56761 8.4874 5.32811 9.0678 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 8.87194 9.35049 3.75786 4.63862 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 9.8446 9.75412 9.59989 4.08841 6.85551 9.94274 3.36546 9.98689 9.80262 6.21834 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 9.8446 9.75412 9.59989 4.08841 6.85551 9.94274 14.9166 5.93144 11.7431 11.5982 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 9.53211 13.7123 6.51428 11.4783 7.43391 4.69664 3.29359 9.3491 12.2668 9.14405 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 9.53211 13.7123 6.51428 4.30655 7.79787 13.4155 3.29359 9.3491 12.2668 6.88123 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 6.28023 5.66978 6.12202 5.02003 9.34051 10.3702 7.72539 8.67957 12.2201 4.66969 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 9.56601 6.17316 5.78017 12.0471 8.03486 7.78018 10.5503 9.98182 6.3791 5.04826 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 9.56601 13.1019 8.78203 12.0471 8.03486 5.38411 10.5503 9.98182 9.86569 5.04826 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 11.7613 9.31611 14.6969 5.03775 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 11.7613 9.31611 14.6969 8.95194 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 11.7613 9.31611 14.6969 5.03775 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 11.7613 9.31611 14.6969 8.95194 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 6.76192 4.157 8.0935 8.37461 6.96774 10.4601 11.7613 9.31611 14.6969 5.03775 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 6.76192 4.157 8.0935 4.03583 7.14859 8.13485 11.7613 9.31611 14.6969 8.95194 numMergedOcc 0
