0 mol 11 unq 0 iso 0 dist 9.53002 8.01262 16.7805 10.7048 4.79838 18.4817 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 6.58046 3.56133 10.7048 4.79838 6.83186 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.58657 7.7312 9.61438 12.323 7.40236 15.6356 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 6.93199 6.09002 4.49303 5.47538 8.19827 7.47395 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.09058 7.15542 5.59994 3.63758 7.03832 8.65524 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.09058 7.15542 5.59994 6.88863 7.16443 8.22812 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.09058 8.89047 7.78417 3.63758 7.03832 8.96151 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.09058 8.89047 7.78417 6.88863 7.16443 4.22002 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 8.09058 8.89003 5.47187 3.63758 7.03832 9.02535 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 8.09058 8.89003 5.47187 6.88863 7.16443 5.77855 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 8.44881 8.88313 16.4188 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.26899 9.4278 13.4402 4.25144 5.48837 12.8031 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.87814 5.25027 9.64347 8.95695 5.82384 9.56766 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 7.87814 4.37025 4.39784 8.95695 5.82384 6.20144 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.20326 7.78789 6.69019 13.36 9.86985 15.3152 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 7.20326 7.42146 4.18875 13.36 9.86985 10.7448 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 14.8455 9.70065 15.9393 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 8.59981 9.92746 16.8777 14.8455 9.70065 24.5697 numMergedOcc 0
18 mol 127 unq 2 iso 0 dist 7.66331 5.01504 6.92548 14.6454 9.70065 15.9393 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 6.75624 9.75587 9.31602 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.52936 9.84566 4.11581 7.44296 9.46392 11.7618 numMergedOcc 0
21 mol 184 unq 1 iso 0 dist 9.52936 8.22001 12.4034 7.44296 9.46392 12.4426 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.47873 9.52922 13.3106 11.7478 9.76225 17.4827 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 6.0965 8.82761 14.229 4.67313 6.8984 9.71831 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 9.59129 8.82761 14.9475 4.67313 7.77553 9.71831 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 14.5747 8.5244 18.5411 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 7.17547 6.09255 4.36581 14.5747 8.5244 12.21 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.14172 8.88652 12.0336 10.1977 8.71877 10.6732 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 6.77463 6.46771 12.0336 5.7648 8.71877 10.6732 numMergedOcc 0
29 mol 256 unq 0 iso 0 dist 5.24676 4.80903 3.89364 6.73995 5.85613 5.58222 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 9.53031 9.28024 15.4497 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.37865 8.25897 11.0001 9.53031 9.28024 16.5972 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.02188 8.97531 12.3522 7.84345 9.50158 16.3408 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.41725 4.9764 13.6468 7.75371 9.62597 7.98956 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.41725 6.36559 13.3297 7.75371 9.62597 5.86185 numMergedOcc 0
