0 mol 0 unq 0 iso 0 dist 6.28506 7.79297 5.14913 11.7303 11.903 7.65806 4.16512 6.31889 6.91778 9.15528 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.42607 6.49709 5.8961 5.51815 10.2486 4.61088 10.4181 9.52695 5.96346 6.86684 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.20956 6.49709 4.73237 5.51815 6.89666 4.61088 10.4181 10.6838 5.96346 6.86684 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 7.70414 8.99491 9.67592 5.40109 6.23138 9.97159 6.21578 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.03407 8.3558 7.17015 15.1474 13.8155 7.4729 10.2731 13.0999 6.95572 9.50382 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.03407 8.3558 7.17015 15.1474 13.8155 7.4729 4.66752 10.7591 7.38677 12.7565 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 8.03407 8.3558 7.17015 8.66262 11.9838 6.82344 10.2731 13.0999 6.95572 7.56363 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 8.03407 8.3558 7.17015 8.66262 11.9838 6.82344 4.66752 10.7591 7.38677 5.91004 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 6.39759 8.3558 4.52119 15.1474 11.8917 7.4729 10.2731 9.18898 6.95572 9.50382 numMergedOcc 0
9 mol 92 unq 5 iso 0 dist 6.39759 8.3558 4.52119 15.1474 11.8917 7.4729 4.66752 7.67331 7.38677 12.7565 numMergedOcc 0
10 mol 92 unq 6 iso 0 dist 6.39759 8.3558 4.52119 8.66262 9.79361 6.82344 10.2731 9.18898 6.95572 7.56363 numMergedOcc 0
11 mol 92 unq 7 iso 0 dist 6.39759 8.3558 4.52119 8.66262 9.79361 6.82344 4.66752 7.67331 7.38677 5.91004 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.89353 6.86713 5.69671 10.3731 12.5791 9.03572 5.04455 9.49995 9.49454 13.3662 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 9.89353 6.86713 5.69671 7.4052 13.9545 8.83255 5.04455 9.49995 9.49454 12.0666 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.89353 6.86713 5.69671 9.70895 9.65047 8.03644 5.04455 9.49995 9.49454 11.4333 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 9.75696 9.69426 8.37808 6.9595 11.7617 9.23819 7.39059 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 8.3907 8.47907 4.42285 9.75696 9.69426 8.37808 10.577 11.999 8.88537 5.0355 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 14.0905 18.2779 7.11802 5.05981 6.16862 9.22232 16.0138 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 6.26722 8.66715 12.7925 14.0905 18.2779 7.11802 17.5205 21.9366 9.22661 5.92062 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 6.26722 8.66715 12.7925 14.0905 18.2779 7.11802 15.4908 18.0076 7.56378 6.61891 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 5.63173 8.95433 5.36939 11.0811 10.8427 7.11802 13.7968 9.21481 9.22232 16.0138 numMergedOcc 0
21 mol 133 unq 4 iso 0 dist 5.63173 8.95433 5.36939 11.0811 10.8427 7.11802 12.0166 11.4454 9.22661 5.92062 numMergedOcc 0
22 mol 133 unq 5 iso 0 dist 5.63173 8.95433 5.36939 11.0811 10.8427 7.11802 5.14992 7.31633 7.56378 6.61891 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.49649 5.79157 6.36794 13.0109 9.55556 9.86662 12.2847 11.9876 9.94764 4.57832 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.49649 5.79157 6.36794 14.1608 12.1043 9.71307 12.2847 11.9876 9.94764 5.29786 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 5.91079 6.11505 4.78067 9.35174 13.2374 9.61492 5.68053 5.86419 4.8668 9.13652 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.91079 6.11505 4.78067 11.3225 9.34594 7.45763 5.68053 5.86419 4.8668 5.8535 numMergedOcc 0
27 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.35615 10.2865 7.56373 9.57857 10.9307 6.85935 6.552 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 6.81165 8.6537 8.22528 5.3298 9.38362 8.66332 6.65022 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 5.3674 8.40773 7.4631 5.69979 10.5164 7.89524 4.45049 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 8.79625 9.91518 13.5373 12.8387 16.7479 8.44326 11.8916 18.0863 8.00673 4.97614 numMergedOcc 0
31 mol 278 unq 1 iso 0 dist 9.9609 9.91518 11.4765 12.8387 16.4361 8.44326 11.8916 12.6541 8.00673 4.97614 numMergedOcc 0
