0 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 13.1241 7.18176 5.93337 14.261 6.31696 11.6682 6.29814 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 8.52979 14.6092 7.34143 13.1241 7.18176 4.5482 14.261 6.31696 6.66056 6.29814 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 8.49634 6.91348 6.19596 12.0238 8.70296 14.2045 9.93183 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 8.49634 6.91348 6.19596 6.81696 9.25558 5.09131 5.90177 numMergedOcc 0
4 mol 131 unq 2 iso 0 dist 6.44766 7.69184 6.85062 5.0492 9.51418 6.6499 12.0238 8.70296 14.2045 16.5048 numMergedOcc 0
5 mol 131 unq 3 iso 0 dist 6.44766 7.69184 6.85062 5.0492 9.51418 6.6499 6.81696 9.25558 5.09131 5.70899 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 17.082 8.6355 10.1448 6.89623 7.80532 7.41674 14.1488 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 17.082 8.6355 5.41704 6.89623 7.80532 9.87376 14.1488 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 6.32172 11.6953 9.31746 7.08648 6.73313 11.1088 5.00423 6.73956 7.68794 5.8726 numMergedOcc 0
9 mol 182 unq 1 iso 0 dist 6.32172 11.6953 9.31746 7.08648 6.73313 11.1088 5.41536 7.09394 9.37404 10.7622 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 9.00273 12.3192 8.56633 12.8534 8.99696 9.82139 15.996 7.50013 8.46623 11.1666 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 9.00273 12.3192 8.56633 12.8534 8.99696 9.82139 13.9428 5.81233 10.7305 13.3562 numMergedOcc 0
12 mol 197 unq 2 iso 0 dist 9.00273 12.3192 8.56633 12.8534 8.99696 9.82139 10.6805 6.92924 5.41996 4.59269 numMergedOcc 0
13 mol 197 unq 3 iso 0 dist 9.00273 12.3192 8.56633 12.8534 8.99696 9.82139 8.06716 7.14306 6.64537 12.9766 numMergedOcc 0
14 mol 197 unq 4 iso 0 dist 9.00273 12.3192 8.56633 14.69 7.85058 8.72637 15.996 7.50013 8.46623 5.53129 numMergedOcc 0
15 mol 197 unq 5 iso 0 dist 9.00273 12.3192 8.56633 14.69 7.85058 8.72637 13.9428 5.81233 10.7305 4.38296 numMergedOcc 0
16 mol 197 unq 6 iso 0 dist 9.00273 12.3192 8.56633 14.69 7.85058 8.72637 10.6805 6.92924 5.41996 11.3267 numMergedOcc 0
17 mol 197 unq 7 iso 0 dist 9.00273 12.3192 8.56633 14.69 7.85058 8.72637 8.06716 7.14306 6.64537 8.05362 numMergedOcc 0
18 mol 197 unq 8 iso 0 dist 9.00273 12.3192 8.56633 16.2393 9.96638 5.69148 15.996 7.50013 8.46623 6.46195 numMergedOcc 0
19 mol 197 unq 9 iso 0 dist 9.00273 12.3192 8.56633 16.2393 9.96638 5.69148 13.9428 5.81233 10.7305 11.0356 numMergedOcc 0
20 mol 197 unq 10 iso 0 dist 9.00273 12.3192 8.56633 16.2393 9.96638 5.69148 10.6805 6.92924 5.41996 6.31157 numMergedOcc 0
21 mol 197 unq 11 iso 0 dist 9.00273 12.3192 8.56633 16.2393 9.96638 5.69148 8.06716 7.14306 6.64537 11.5276 numMergedOcc 0
22 mol 197 unq 12 iso 0 dist 7.19387 11.7609 8.56633 15.758 8.99696 9.82139 11.8776 7.50013 8.46623 11.1666 numMergedOcc 0
23 mol 197 unq 13 iso 0 dist 7.19387 11.7609 8.56633 15.758 8.99696 9.82139 7.82456 5.81233 10.7305 13.3562 numMergedOcc 0
24 mol 197 unq 14 iso 0 dist 7.19387 11.7609 8.56633 15.758 8.99696 9.82139 12.657 6.92924 5.41996 4.59269 numMergedOcc 0
25 mol 197 unq 15 iso 0 dist 7.19387 11.7609 8.56633 15.758 8.99696 9.82139 6.07107 7.14306 6.64537 12.9766 numMergedOcc 0
26 mol 197 unq 16 iso 0 dist 7.19387 11.7609 8.56633 8.21858 7.85058 8.72637 11.8776 7.50013 8.46623 5.53129 numMergedOcc 0
27 mol 197 unq 17 iso 0 dist 7.19387 11.7609 8.56633 8.21858 7.85058 8.72637 7.82456 5.81233 10.7305 4.38296 numMergedOcc 0
28 mol 197 unq 18 iso 0 dist 7.19387 11.7609 8.56633 8.21858 7.85058 8.72637 12.657 6.92924 5.41996 11.3267 numMergedOcc 0
29 mol 197 unq 19 iso 0 dist 7.19387 11.7609 8.56633 8.21858 7.85058 8.72637 6.07107 7.14306 6.64537 8.05362 numMergedOcc 0
30 mol 197 unq 20 iso 0 dist 7.19387 11.7609 8.56633 15.2184 9.96638 5.69148 11.8776 7.50013 8.46623 6.46195 numMergedOcc 0
31 mol 197 unq 21 iso 0 dist 7.19387 11.7609 8.56633 15.2184 9.96638 5.69148 7.82456 5.81233 10.7305 11.0356 numMergedOcc 0
32 mol 197 unq 22 iso 0 dist 7.19387 11.7609 8.56633 15.2184 9.96638 5.69148 12.657 6.92924 5.41996 6.31157 numMergedOcc 0
33 mol 197 unq 23 iso 0 dist 7.19387 11.7609 8.56633 15.2184 9.96638 5.69148 6.07107 7.14306 6.64537 11.5276 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 10.8926 5.90931 5.09262 16.909 9.68728 7.67571 11.145 numMergedOcc 0
35 mol 204 unq 1 iso 0 dist 9.65951 9.99471 8.51516 10.8926 5.90931 12.9483 16.909 9.68728 10.8573 11.145 numMergedOcc 0
36 mol 204 unq 2 iso 0 dist 9.14829 6.73339 7.10633 5.63477 5.90931 5.09262 14.2441 9.68728 7.67571 11.145 numMergedOcc 0
37 mol 204 unq 3 iso 0 dist 9.14829 13.2127 8.51516 5.63477 5.90931 12.9483 14.2441 9.68728 10.8573 11.145 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 4.95108 6.82208 4.8892 6.11074 7.67576 10.3151 7.39748 numMergedOcc 0
39 mol 222 unq 1 iso 0 dist 8.81925 9.75789 8.01589 4.95108 6.82208 4.8892 6.22277 9.82371 8.52017 5.08928 numMergedOcc 0
40 mol 222 unq 2 iso 0 dist 8.81925 12.7799 7.7699 4.95108 6.82208 11.0074 6.11074 7.67576 7.81022 7.39748 numMergedOcc 0
41 mol 222 unq 3 iso 0 dist 8.81925 12.7799 7.7699 4.95108 6.82208 11.0074 6.22277 9.82371 15.7504 5.08928 numMergedOcc 0
42 mol 222 unq 4 iso 0 dist 8.81925 12.5625 7.21333 4.95108 6.82208 12.2813 6.11074 7.67576 7.75656 7.39748 numMergedOcc 0
43 mol 222 unq 5 iso 0 dist 8.81925 12.5625 7.21333 4.95108 6.82208 12.2813 6.22277 9.82371 16.0949 5.08928 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 8.58958 16.0172 8.34494 6.99882 6.25105 10.3337 18.0206 9.81425 4.3717 13.0631 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 8.58958 14.7629 6.56247 6.99882 6.25105 11.216 18.0206 9.81425 4.46561 13.0631 numMergedOcc 0
46 mol 234 unq 2 iso 0 dist 8.58958 13.5847 9.36357 6.99882 6.25105 11.4315 18.0206 9.81425 10.641 13.0631 numMergedOcc 0
47 mol 234 unq 3 iso 0 dist 9.70004 10.9359 8.34494 7.22134 6.25105 10.3337 15.0011 9.81425 4.3717 13.0631 numMergedOcc 0
48 mol 234 unq 4 iso 0 dist 9.70004 14.3229 6.56247 7.22134 6.25105 11.216 15.0011 9.81425 4.46561 13.0631 numMergedOcc 0
49 mol 234 unq 5 iso 0 dist 9.70004 17.5883 9.36357 7.22134 6.25105 11.4315 15.0011 9.81425 10.641 13.0631 numMergedOcc 0
50 mol 249 unq 0 iso 0 dist 9.14351 12.1004 7.57994 9.45521 8.83735 5.23473 5.56847 5.48118 10.7772 10.639 numMergedOcc 0
51 mol 249 unq 1 iso 0 dist 9.14351 9.40115 6.18582 9.45521 8.83735 7.38675 5.56847 5.48118 7.04666 10.639 numMergedOcc 0
52 mol 278 unq 0 iso 0 dist 8.62414 12.2316 8.44326 13.9754 6.35287 6.07447 10.5063 8.00673 4.97614 7.83538 numMergedOcc 0
