0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 11.7303 7.65806 4.87624 4.16512 6.91778 10.9859 9.15528 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.65481 4.7319 5.59769 5.1333 6.72833 12.1062 6.51133 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 5.33298 8.95682 10.7304 6.18002 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 5.33298 8.95682 10.7304 8.38399 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 13.2914 8.95682 10.7304 6.18002 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 13.2914 8.95682 10.7304 8.38399 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 6.18332 5.93884 6.64072 5.78774 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 13.832 6.95572 9.52463 9.50382 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 15.33 7.38677 6.07224 12.7565 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 13.832 6.95572 9.52463 7.56363 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 15.33 7.38677 6.07224 5.91004 numMergedOcc 0
11 mol 92 unq 4 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 10.2731 6.95572 9.52463 9.50382 numMergedOcc 0
12 mol 92 unq 5 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 4.66752 7.38677 6.07224 12.7565 numMergedOcc 0
13 mol 92 unq 6 iso 0 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 10.2731 6.95572 9.52463 7.56363 numMergedOcc 0
14 mol 92 unq 7 iso 0 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 4.66752 7.38677 6.07224 5.91004 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 8.84017 6.84011 12.5697 7.436 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 13.4067 6.92026 6.39438 6.77806 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 5.19545 6.92026 6.39438 6.77806 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 9.75696 8.37808 12.4383 6.9595 9.23819 7.09391 7.39059 numMergedOcc 0
19 mol 122 unq 1 iso 0 dist 8.47907 6.85647 8.33083 9.75696 8.37808 12.4383 10.577 8.88537 10.4589 5.0355 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 4.68975 8.95641 7.78849 9.30817 9.89303 11.454 6.64576 5.83771 4.15314 7.41674 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 8.42326 8.03334 9.60754 5.03999 6.46704 6.70394 4.43096 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.74465 5.02351 7.44191 8.42326 8.03334 9.60754 13.5125 6.59025 11.2787 8.04639 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 5.03999 6.46704 10.8517 4.43096 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 13.5125 6.59025 5.87168 8.04639 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 14.5203 7.50013 4.91904 8.46623 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 11.199 5.81233 7.59634 10.7305 numMergedOcc 0
27 mol 197 unq 2 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 12.0358 6.92924 10.3181 5.41996 numMergedOcc 0
28 mol 197 unq 3 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 7.10431 7.14306 14.2718 6.64537 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 5.56395 9.61492 12.4616 7.35197 4.8668 5.42117 9.13652 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 8.57514 8.21257 8.43584 12.397 7.45763 10.6123 7.35197 4.8668 5.42117 5.8535 numMergedOcc 0
31 mol 205 unq 2 iso 0 dist 6.11505 5.03046 8.43584 9.35174 9.61492 12.4616 5.68053 4.8668 5.42117 9.13652 numMergedOcc 0
32 mol 205 unq 3 iso 0 dist 6.11505 5.03046 8.43584 11.3225 7.45763 10.6123 5.68053 4.8668 5.42117 5.8535 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 5.06328 7.10826 11.6718 5.87279 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.52416 8.22528 11.9226 6.7597 8.66332 10.8309 6.65022 numMergedOcc 0
35 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 6.81165 8.22528 11.9226 5.3298 8.66332 10.8309 6.65022 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 15.4125 8.84636 7.48655 4.30299 numMergedOcc 0
37 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 5.50714 7.4631 4.86437 4.45211 7.89524 7.18308 4.45049 numMergedOcc 0
38 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 5.3674 7.4631 4.86437 5.69979 7.89524 7.18308 4.45049 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 8.85159 9.85289 14.679 6.20558 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 8.85159 9.85289 14.679 11.4459 numMergedOcc 0
41 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 12.8387 8.44326 10.5903 11.8916 8.00673 11.9007 4.97614 numMergedOcc 0
