0 mol 7 unq 0 iso 0 dist 9.20552 5.26458 5.99972 12.839 5.13353 9.68006 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.80052 6.39388 7.47858 12.743 10.6922 6.62144 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.68517 5.1333 6.72833 11.9541 10.4852 6.93532 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 15.0861 15.5315 7.29868 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.40392 8.92687 8.4051 11.6497 14.6259 8.60554 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.40392 5.12527 8.75662 11.6497 14.6259 9.44691 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 13.2682 10.9391 7.45383 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 8.94828 15.5398 7.92503 15.0254 10.6808 8.6653 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 9.77906 7.96502 6.46104 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.81637 6.18332 5.93884 14.9123 5.30792 9.92355 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.81637 6.18332 5.93884 12.4928 4.81926 7.68678 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 8.27156 5.40878 4.74544 12.0244 8.62608 7.56205 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.96446 15.5614 8.18107 6.70686 5.04493 9.8859 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.96446 8.51558 5.9465 6.70686 5.04493 6.97962 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.96446 8.51558 5.9465 13.1422 9.35561 9.95342 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 6.70686 15.5614 9.8859 9.96446 5.04493 8.18107 numMergedOcc 0
16 mol 92 unq 4 iso 0 dist 6.70686 8.51558 6.97962 9.96446 5.04493 5.9465 numMergedOcc 0
17 mol 92 unq 5 iso 0 dist 6.70686 8.51558 6.97962 13.1422 12.7769 9.95342 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.61812 7.76066 7.80975 14.7281 10.8586 7.10378 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 9.50575 13.4067 6.92026 12.88 6.5838 5.88249 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.50575 13.4067 6.92026 18.2151 10.5564 6.97707 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 8.43116 5.19545 6.92026 6.23645 6.5838 5.88249 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 8.43116 5.19545 6.92026 9.62812 10.5564 6.97707 numMergedOcc 0
23 mol 115 unq 4 iso 0 dist 6.23645 5.19545 5.88249 8.43116 6.5838 6.92026 numMergedOcc 0
24 mol 115 unq 5 iso 0 dist 6.23645 5.19545 5.88249 9.62812 5.67807 6.97707 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.94179 4.77149 6.66772 13.2418 6.69554 9.97654 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.94179 4.77149 6.66772 12.2738 7.6656 7.71248 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 4.68975 6.64576 5.83771 4.9155 5.79898 7.80532 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 4.9155 6.64576 7.80532 4.68975 5.79898 5.83771 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 8.49987 5.54455 7.80532 9.64152 5.79898 5.83771 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 9.42271 5.87436 7.80532 9.15658 5.79898 5.83771 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 5.79157 12.2847 9.94764 12.6199 11.3271 7.69991 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 5.79157 12.2847 9.94764 9.87619 6.81259 6.23142 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 9.75336 6.01247 6.2479 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.09874 5.06341 6.22122 12.9131 12.6324 7.99195 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 8.77347 10.0244 8.73217 16.3574 14.5862 7.76163 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 14.8997 10.7531 9.26504 numMergedOcc 0
37 mol 195 unq 1 iso 0 dist 4.78641 6.31156 7.36683 12.0897 10.7531 9.26504 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 9.36732 9.71153 6.86319 14.7113 10.2747 6.70531 numMergedOcc 0
39 mol 213 unq 0 iso 0 dist 9.73691 10.1372 8.14332 11.9596 5.45334 7.73322 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 5.60236 5.86896 6.36341 11.2471 8.31875 6.21292 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 5.60236 5.86896 6.36341 13.8175 10.5547 9.21736 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 9.03917 4.88651 6.36341 6.56775 8.31875 6.21292 numMergedOcc 0
43 mol 235 unq 3 iso 0 dist 9.03917 4.88651 6.36341 10.8773 10.5547 9.21736 numMergedOcc 0
44 mol 235 unq 4 iso 0 dist 6.56775 4.88651 6.21292 9.03917 8.31875 6.36341 numMergedOcc 0
45 mol 235 unq 5 iso 0 dist 6.56775 4.88651 6.21292 10.8773 4.53064 9.21736 numMergedOcc 0
46 mol 235 unq 6 iso 0 dist 6.56775 6.99274 6.95126 14.469 9.89669 9.55668 numMergedOcc 0
47 mol 235 unq 7 iso 0 dist 7.8128 12.5723 9.55668 15.0268 9.89669 6.95126 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 9.59483 14.3756 6.99315 21.7792 14.5975 9.60163 numMergedOcc 0
49 mol 237 unq 1 iso 0 dist 8.42717 8.63433 6.99315 14.1258 14.5975 9.60163 numMergedOcc 0
50 mol 278 unq 0 iso 0 dist 9.91518 11.8916 8.00673 14.371 8.29447 6.62841 numMergedOcc 0
51 mol 284 unq 0 iso 0 dist 9.98268 4.58432 9.33437 6.83147 5.87439 7.8343 numMergedOcc 0
52 mol 284 unq 1 iso 0 dist 6.83147 4.58432 7.8343 9.98268 5.87439 9.33437 numMergedOcc 0
