0 mol 8 unq 0 iso 0 dist 8.80278 9.74854 11.4319 9.69819 8.00482 12.7942 4.35292 9.36839 9.83409 13.0906 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.11408 4.76499 6.96046 9.22226 5.0301 7.13488 5.80918 8.51178 8.79533 12.4685 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.11408 4.76499 6.96046 9.22226 5.0301 7.13488 8.39619 7.04966 12.1205 11.6367 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.30392 5.86234 8.89127 5.44722 12.2954 6.12351 10.9933 7.61631 15.0443 16.3219 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 7.1612 8.2753 14.9191 5.75397 6.97546 10.784 6.03391 6.85819 13.3774 10.3585 numMergedOcc 0
5 mol 66 unq 1 iso 0 dist 7.1612 8.2753 14.9191 9.11975 6.70072 15.1464 6.03391 6.85819 13.3774 11.8625 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.33546 7.33408 10.5803 5.58337 5.25902 5.45603 7.83359 9.22636 14.87 11.668 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 7.33546 7.92149 11.6395 5.58337 5.25902 9.71548 7.83359 9.22636 11.3869 11.668 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.15982 4.97091 9.53071 9.82907 11.585 6.11353 14.0132 9.6874 17.1733 19.7236 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 3.87901 7.29604 6.27901 8.67001 7.1886 4.91809 9.24409 8.2197 14.2061 15.151 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 9.39563 6.66619 12.9481 5.11863 8.78943 4.84884 3.95306 9.45847 5.13722 5.0207 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 9.39563 6.66619 12.9481 5.11863 8.78943 4.84884 17.0877 7.895 20.2475 15.7817 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.42784 7.19185 7.58989 7.88169 6.23427 5.35764 10.5635 8.23246 14.954 13.054 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 6.11123 7.82527 4.80815 9.46179 6.23427 9.71243 4.84006 8.23246 7.0166 13.054 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 9.94532 8.63478 13.8778 6.8795 6.83989 7.1759 5.75427 8.13696 13.9547 9.56846 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 9.94532 8.08865 10.7074 6.8795 6.83989 8.60998 5.75427 8.13696 10.1792 9.56846 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 5.00402 9.38614 10.6579 9.36891 5.10287 15.568 10.1637 9.98985 18.6534 8.79637 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 5.00402 9.38614 10.6579 9.36891 5.10287 15.568 5.61514 7.22295 14.6602 8.88458 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 5.00402 9.38614 10.6579 7.37358 6.69582 4.99186 10.1637 9.98985 18.6534 14.9954 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 5.00402 9.38614 10.6579 7.37358 6.69582 4.99186 5.61514 7.22295 14.6602 12.4413 numMergedOcc 0
