0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 11.7303 7.65806 4.87624 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.28341 12.5091 8.39221 5.58255 6.38364 7.00835 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.65481 4.7319 5.59769 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.62418 6.65721 10.7369 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 5.50504 5.25196 9.62468 6.53977 6.72123 11.5608 numMergedOcc 0
10 mol 61 unq 2 iso 0 dist 5.50504 6.97911 5.92705 7.62418 6.65721 5.4671 numMergedOcc 0
11 mol 61 unq 3 iso 0 dist 5.50504 6.97911 5.92705 6.53977 6.72123 10.1513 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 6.31237 11.0606 9.33801 6.26149 7.89459 5.81332 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 8.90571 7.36792 8.17186 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.23803 5.20171 9.74643 6.32175 8.58044 5.5332 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 8.05028 5.20171 6.86702 6.32175 9.97763 5.5332 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 9.75696 8.37808 12.4383 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 10.9541 8.22656 15.4455 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 7.5055 7.43569 9.4473 5.61003 6.82262 11.1611 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 4.68975 8.95641 7.78849 9.30817 9.89303 11.454 numMergedOcc 0
27 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 numMergedOcc 0
28 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 numMergedOcc 0
29 mol 142 unq 2 iso 0 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 numMergedOcc 0
30 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 numMergedOcc 0
31 mol 142 unq 4 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 numMergedOcc 0
32 mol 142 unq 5 iso 0 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 numMergedOcc 0
35 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 numMergedOcc 0
36 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 numMergedOcc 0
37 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 numMergedOcc 0
39 mol 178 unq 3 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 8.42326 8.03334 9.60754 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 numMergedOcc 0
42 mol 188 unq 0 iso 0 dist 8.67271 7.70994 6.02561 6.184 9.96154 5.5682 numMergedOcc 0
43 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 5.56395 9.61492 12.4616 numMergedOcc 0
45 mol 205 unq 1 iso 0 dist 8.57514 8.21257 8.43584 12.397 7.45763 10.6123 numMergedOcc 0
46 mol 205 unq 2 iso 0 dist 6.11505 5.03046 8.43584 9.35174 9.61492 12.4616 numMergedOcc 0
47 mol 205 unq 3 iso 0 dist 6.11505 5.03046 8.43584 11.3225 7.45763 10.6123 numMergedOcc 0
48 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 numMergedOcc 0
49 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.52416 8.22528 11.9226 numMergedOcc 0
52 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 6.81165 8.22528 11.9226 numMergedOcc 0
53 mol 238 unq 0 iso 0 dist 9.39537 6.39493 9.75174 9.53107 6.57393 13.477 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 numMergedOcc 0
55 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 5.50714 7.4631 4.86437 numMergedOcc 0
56 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 5.3674 7.4631 4.86437 numMergedOcc 0
57 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 numMergedOcc 0
58 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 numMergedOcc 0
59 mol 248 unq 2 iso 0 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 numMergedOcc 0
61 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 numMergedOcc 0
63 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 12.8387 8.44326 10.5903 numMergedOcc 0
