0 mol 17 unq 0 iso 0 dist 6.76604 7.30541 6.48378 7.18716 4.0384 9.78953 5.22923 9.88955 8.55161 11.4665 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.97806 8.10063 9.46319 7.63824 7.33787 11.4519 6.09311 14.6574 8.11143 12.7806 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.97806 8.10063 9.46319 7.63824 7.33787 11.4519 6.50899 12.2221 8.9776 13.1926 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.32779 8.10063 6.22149 7.63824 5.43498 11.4519 6.09311 9.74777 8.11143 12.7806 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.32779 8.10063 6.22149 7.63824 5.43498 11.4519 6.50899 10.872 8.9776 13.1926 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.22609 7.10403 9.02438 9.56838 13.469 4.44607 11.1855 11.8965 7.85738 9.13228 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.52742 6.27877 4.75717 8.15861 7.14242 6.90443 3.81285 6.56288 7.51319 6.67137 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.52742 6.27877 4.75717 8.15861 7.14242 6.90443 6.17121 5.97559 8.49887 7.04244 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 7.52742 6.27877 4.75717 9.27814 15.6495 12.641 3.81285 6.56288 7.51319 12.9252 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 7.52742 6.27877 4.75717 9.27814 15.6495 12.641 6.17121 5.97559 8.49887 15.2807 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.42914 8.01351 10.1359 7.09177 6.21311 12.7678 9.46631 15.8707 8.91998 14.8326 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 8.17327 8.01351 11.3866 7.09177 7.17072 12.7678 9.46631 16.9889 8.91998 14.8326 numMergedOcc 0
12 mol 91 unq 2 iso 0 dist 9.52936 8.01351 9.36488 7.09177 10.0233 12.7678 9.46631 16.7772 8.91998 14.8326 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 9.00874 6.67776 6.11046 8.23294 8.70619 4.90515 3.27874 8.92653 5.23929 5.20429 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 9.00874 6.67776 6.11046 8.2702 3.89959 5.08254 3.27874 8.92653 5.23929 8.71366 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.1034 8.15628 6.50161 5.91643 5.81096 4.5975 6.07474 12.1622 9.00461 9.37533 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.06541 6.97502 8.75176 8.09863 7.73968 6.40044 3.88406 10.4409 9.26192 7.64057 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.28379 6.50096 7.15553 6.45095 5.74821 5.02086 6.41178 11.4404 8.2484 7.83831 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 9.29279 6.50096 10.2283 6.45095 11.8995 5.02086 6.41178 15.3608 8.2484 7.83831 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 8.63523 9.23009 10.2133 8.65363 14.0395 8.9978 10.0567 14.433 8.32582 12.639 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 8.63523 9.23009 10.2133 6.44588 9.96893 5.13965 10.0567 14.433 8.32582 10.4035 numMergedOcc 0
