0 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 9.65174 13.3652 9.63925 4.21283 13.1457 7.85986 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.40479 4.90592 6.99746 9.65174 13.3652 9.63925 4.97191 11.1639 4.30252 10.2171 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.38831 9.36461 6.99746 9.41655 15.0537 14.1137 15.6099 13.1457 7.85986 21.2047 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.38831 9.36461 6.99746 9.41655 15.0537 14.1137 12.5557 11.1639 4.30252 15.9479 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.38831 9.36461 6.99746 6.803 12.8421 13.4584 15.6099 13.1457 7.85986 20.7785 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.38831 9.36461 6.99746 6.803 12.8421 13.4584 12.5557 11.1639 4.30252 16.233 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.58012 4.90592 11.8996 9.65174 6.79749 9.63925 4.21283 8.56274 7.85986 8.25818 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.58012 4.90592 11.8996 9.65174 6.79749 9.63925 4.97191 12.9621 4.30252 10.2171 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.72965 7.40415 12.67 8.75468 7.39132 10.4406 6.37119 13.2403 5.19518 8.67077 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 9.72965 7.40415 12.67 7.62989 5.28861 12.0524 6.37119 13.2403 5.19518 10.4857 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 9.72965 7.40415 12.67 5.70238 6.94261 10.0581 6.37119 13.2403 5.19518 11.286 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 5.63315 7.40415 7.00226 8.75468 13.2225 10.4406 6.37119 9.17482 5.19518 8.67077 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 5.63315 7.40415 7.00226 7.62989 12.3695 12.0524 6.37119 9.17482 5.19518 10.4857 numMergedOcc 0
13 mol 28 unq 5 iso 0 dist 5.63315 7.40415 7.00226 5.70238 6.33375 10.0581 6.37119 9.17482 5.19518 11.286 numMergedOcc 0
14 mol 28 unq 6 iso 0 dist 9.8465 7.40415 5.93722 8.75468 10.8134 10.4406 6.37119 10.2134 5.19518 8.67077 numMergedOcc 0
15 mol 28 unq 7 iso 0 dist 9.8465 7.40415 5.93722 7.62989 11.956 12.0524 6.37119 10.2134 5.19518 10.4857 numMergedOcc 0
16 mol 28 unq 8 iso 0 dist 9.8465 7.40415 5.93722 5.70238 8.99305 10.0581 6.37119 10.2134 5.19518 11.286 numMergedOcc 0
17 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 4.06864 10.207 8.0991 11.9917 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 5.9339 13.8182 9.95093 9.48125 numMergedOcc 0
19 mol 34 unq 2 iso 0 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 4.06864 10.207 8.0991 12.9247 numMergedOcc 0
20 mol 34 unq 3 iso 0 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 5.9339 13.8182 9.95093 11.1667 numMergedOcc 0
21 mol 34 unq 4 iso 0 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 4.06864 10.207 8.0991 11.6522 numMergedOcc 0
22 mol 34 unq 5 iso 0 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 5.9339 13.8182 9.95093 11.4447 numMergedOcc 0
23 mol 34 unq 6 iso 0 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 4.06864 10.207 8.0991 6.38866 numMergedOcc 0
24 mol 34 unq 7 iso 0 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 5.9339 13.8182 9.95093 10.7075 numMergedOcc 0
25 mol 34 unq 8 iso 0 dist 8.63361 9.63403 6.62645 9.31883 14.9872 15.7295 4.06864 10.207 8.80175 11.9917 numMergedOcc 0
26 mol 34 unq 9 iso 0 dist 8.63361 9.63403 6.62645 9.475 14.6661 16.8534 4.06864 10.207 8.80175 12.9247 numMergedOcc 0
27 mol 34 unq 10 iso 0 dist 8.63361 9.63403 6.62645 8.34011 10.357 12.3865 4.06864 10.207 8.80175 11.6522 numMergedOcc 0
28 mol 34 unq 11 iso 0 dist 8.63361 9.63403 6.62645 6.29842 4.465 5.50427 4.06864 10.207 8.80175 6.38866 numMergedOcc 0
29 mol 90 unq 0 iso 0 dist 7.51138 7.31784 8.39589 9.08732 11.2933 5.97902 4.67883 9.49744 8.61893 12.343 numMergedOcc 0
30 mol 90 unq 1 iso 0 dist 9.86843 7.31784 6.30226 9.08732 5.31762 5.97902 4.67883 13.1387 8.61893 12.343 numMergedOcc 0
31 mol 90 unq 2 iso 0 dist 6.86146 7.31784 7.57639 9.08732 5.06489 5.97902 4.67883 11.2433 8.61893 12.343 numMergedOcc 0
32 mol 90 unq 3 iso 0 dist 8.83296 7.31784 4.215 9.08732 5.30747 5.97902 4.67883 10.0174 8.61893 12.343 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 8.03028 8.57827 12.6909 7.87729 13.3357 4.15826 5.19513 12.8633 9.22418 8.55237 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 7.39754 8.57827 15.1698 7.87729 13.7136 4.15826 5.19513 11.5712 9.22418 8.55237 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 7.76594 5.39061 5.66194 4.48699 9.93041 4.94367 4.9293 9.58379 7.84546 7.53342 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 8.88454 5.50466 3.80087 11.2139 9.0233 4.92382 4.88514 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 8.93453 6.73983 4.38393 8.88454 5.50466 3.80763 13.2445 11.1752 8.40695 10.3516 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 8.93453 6.73983 4.38393 8.88454 5.50466 3.80763 11.2655 12.2879 9.35867 12.6128 numMergedOcc 0
39 mol 141 unq 3 iso 0 dist 8.93453 7.64956 6.06881 8.88454 5.50466 9.98068 11.2655 12.2879 9.38036 12.6128 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 8.56866 5.29609 6.36052 5.42311 7.22 7.2932 11.4225 numMergedOcc 0
41 mol 143 unq 1 iso 0 dist 5.73236 6.95372 5.99865 5.66207 7.87644 4.5497 5.42311 7.22 7.2932 4.3855 numMergedOcc 0
42 mol 162 unq 0 iso 0 dist 8.53374 7.14263 3.76192 9.56342 9.586 6.17752 5.21512 5.97934 5.67088 10.7246 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 5.13892 7.82899 3.7326 8.68259 12.7017 8.43182 5.10542 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 5.52678 6.37788 5.92931 5.78717 10.0237 7.29209 8.68259 12.7017 8.43182 4.68722 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 9.81666 8.7028 5.92931 8.2232 7.82899 3.7326 9.38176 12.7017 8.43182 5.10542 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 7.63812 5.06628 6.26206 8.96803 13.4452 12.5736 5.20161 9.91414 8.95332 11.9653 numMergedOcc 0
47 mol 237 unq 1 iso 0 dist 7.63812 5.06628 6.26206 7.95072 8.49326 3.68966 5.20161 9.91414 8.95332 10.5317 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 8.51129 5.06628 3.97854 8.96803 14.1628 12.5736 5.20161 12.7566 8.95332 11.9653 numMergedOcc 0
49 mol 237 unq 3 iso 0 dist 8.51129 5.06628 3.97854 7.95072 5.41814 3.68966 5.20161 12.7566 8.95332 10.5317 numMergedOcc 0
50 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 4.64695 4.05076 7.28821 5.42399 11.0937 6.49413 8.62655 numMergedOcc 0
51 mol 260 unq 1 iso 0 dist 8.3149 7.99521 7.16782 4.64695 4.05076 7.28821 10.39 12.6218 6.12343 11.9844 numMergedOcc 0
52 mol 260 unq 2 iso 0 dist 8.3149 7.99521 7.16782 4.64695 4.05076 7.28821 9.79316 9.33382 4.52405 9.01781 numMergedOcc 0
