0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 6.49868 7.88043 13.0722 10.2446 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 8.07954 8.80762 16.4052 12.3097 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.94714 7.70341 8.51112 11.2303 9.04767 12.3645 4.47407 9.58855 5.58434 10.6873 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 7.426 9.51761 11.0081 6.07208 7.55766 7.30279 12.4713 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 7.53082 7.3094 11.3758 6.07208 7.55766 7.30279 6.48196 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 10.812 6.90155 6.13982 9.36158 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 10.812 6.90155 6.13982 10.1525 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 5.84171 5.73819 8.14351 10.0977 8.44903 13.4933 5.48048 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 5.90298 7.26086 10.2492 7.32662 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 5.90298 7.26086 10.2492 13.4985 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 5.90298 7.26086 10.2492 6.934 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 8.8736 7.26086 10.2492 7.32662 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 8.8736 7.26086 10.2492 13.4985 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 8.8736 7.26086 10.2492 6.934 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 7.75534 8.75408 10.7527 10.214 8.93905 15.3512 7.27181 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 5.61914 6.44653 5.6257 10.214 8.93905 15.3512 10.5192 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 7.75534 8.75408 9.8469 10.214 8.93905 14.3305 7.27181 numMergedOcc 0
17 mol 120 unq 3 iso 0 dist 5.06555 9.04066 8.14799 5.61914 6.44653 5.0256 10.214 8.93905 14.3305 10.5192 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 5.24118 4.92088 6.72936 10.1489 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 5.24118 4.92088 6.72936 8.27339 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 5.24118 4.92088 6.72936 9.79302 numMergedOcc 0
21 mol 178 unq 3 iso 0 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 5.24118 4.92088 6.72936 8.65097 numMergedOcc 0
22 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 5.24118 4.92088 9.74054 10.1489 numMergedOcc 0
23 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 5.24118 4.92088 9.74054 8.27339 numMergedOcc 0
24 mol 178 unq 6 iso 0 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 5.24118 4.92088 9.74054 9.79302 numMergedOcc 0
25 mol 178 unq 7 iso 0 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 5.24118 4.92088 9.74054 8.65097 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 10.4685 6.22714 5.74685 11.3332 5.64181 8.22473 10.216 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.97461 5.81253 5.99187 11.6506 7.31233 5.87189 11.3332 5.64181 8.22473 7.83352 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.2067 10.9933 5.31858 9.88911 6.42289 6.60345 5.00301 7.99477 11.0804 7.42673 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.2067 10.9933 5.31858 9.88911 6.42289 6.60345 5.99575 7.86627 6.65689 6.44209 numMergedOcc 0
