0 mol 15 unq 0 iso 0 dist 4.89563 6.66625 9.29358 4.98085 5.89412 6.19131 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.88829 5.91961 8.68559 10.1739 7.99969 7.14527 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.52979 13.1241 7.18176 14.261 6.31696 6.29814 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.28058 10.6264 7.13087 4.58554 6.02816 6.93907 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 6.97244 11.7596 7.20326 6.85703 7.70232 9.79891 numMergedOcc 0
5 mol 117 unq 1 iso 0 dist 6.97244 11.7596 7.20326 9.39186 7.4671 9.97229 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 6.44766 8.49634 6.91348 12.0238 8.70296 9.93183 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.44766 8.49634 6.91348 6.81696 9.25558 5.90177 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 6.44766 5.0492 9.51418 12.0238 8.70296 16.5048 numMergedOcc 0
9 mol 131 unq 3 iso 0 dist 6.44766 5.0492 9.51418 6.81696 9.25558 5.70899 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.5778 17.082 8.6355 6.89623 7.80532 14.1488 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 9.84636 14.8775 8.61331 6.84084 7.33273 13.7844 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.32172 7.08648 6.73313 5.00423 6.73956 5.8726 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 6.32172 7.08648 6.73313 5.41536 7.09394 10.7622 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.00273 12.8534 8.99696 15.996 7.50013 11.1666 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.00273 12.8534 8.99696 13.9428 5.81233 13.3562 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 9.00273 12.8534 8.99696 10.6805 6.92924 4.59269 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 9.00273 12.8534 8.99696 8.06716 7.14306 12.9766 numMergedOcc 0
18 mol 197 unq 4 iso 0 dist 9.00273 14.69 7.85058 15.996 7.50013 5.53129 numMergedOcc 0
19 mol 197 unq 5 iso 0 dist 9.00273 14.69 7.85058 13.9428 5.81233 4.38296 numMergedOcc 0
20 mol 197 unq 6 iso 0 dist 9.00273 14.69 7.85058 10.6805 6.92924 11.3267 numMergedOcc 0
21 mol 197 unq 7 iso 0 dist 9.00273 14.69 7.85058 8.06716 7.14306 8.05362 numMergedOcc 0
22 mol 197 unq 8 iso 0 dist 9.00273 16.2393 9.96638 15.996 7.50013 6.46195 numMergedOcc 0
23 mol 197 unq 9 iso 0 dist 9.00273 16.2393 9.96638 13.9428 5.81233 11.0356 numMergedOcc 0
24 mol 197 unq 10 iso 0 dist 9.00273 16.2393 9.96638 10.6805 6.92924 6.31157 numMergedOcc 0
25 mol 197 unq 11 iso 0 dist 9.00273 16.2393 9.96638 8.06716 7.14306 11.5276 numMergedOcc 0
26 mol 197 unq 12 iso 0 dist 7.19387 15.758 8.99696 11.8776 7.50013 11.1666 numMergedOcc 0
27 mol 197 unq 13 iso 0 dist 7.19387 15.758 8.99696 7.82456 5.81233 13.3562 numMergedOcc 0
28 mol 197 unq 14 iso 0 dist 7.19387 15.758 8.99696 12.657 6.92924 4.59269 numMergedOcc 0
29 mol 197 unq 15 iso 0 dist 7.19387 15.758 8.99696 6.07107 7.14306 12.9766 numMergedOcc 0
30 mol 197 unq 16 iso 0 dist 7.19387 8.21858 7.85058 11.8776 7.50013 5.53129 numMergedOcc 0
31 mol 197 unq 17 iso 0 dist 7.19387 8.21858 7.85058 7.82456 5.81233 4.38296 numMergedOcc 0
32 mol 197 unq 18 iso 0 dist 7.19387 8.21858 7.85058 12.657 6.92924 11.3267 numMergedOcc 0
33 mol 197 unq 19 iso 0 dist 7.19387 8.21858 7.85058 6.07107 7.14306 8.05362 numMergedOcc 0
34 mol 197 unq 20 iso 0 dist 7.19387 15.2184 9.96638 11.8776 7.50013 6.46195 numMergedOcc 0
35 mol 197 unq 21 iso 0 dist 7.19387 15.2184 9.96638 7.82456 5.81233 11.0356 numMergedOcc 0
36 mol 197 unq 22 iso 0 dist 7.19387 15.2184 9.96638 12.657 6.92924 6.31157 numMergedOcc 0
37 mol 197 unq 23 iso 0 dist 7.19387 15.2184 9.96638 6.07107 7.14306 11.5276 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 9.65951 10.8926 5.90931 16.909 9.68728 11.145 numMergedOcc 0
39 mol 204 unq 1 iso 0 dist 9.14829 5.63477 5.90931 14.2441 9.68728 11.145 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 8.81925 4.95108 6.82208 6.11074 7.67576 7.39748 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 8.81925 4.95108 6.82208 6.22277 9.82371 5.08928 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 8.58958 6.99882 6.25105 18.0206 9.81425 13.0631 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 9.70004 7.22134 6.25105 15.0011 9.81425 13.0631 numMergedOcc 0
44 mol 249 unq 0 iso 0 dist 9.14351 9.45521 8.83735 5.56847 5.48118 10.639 numMergedOcc 0
45 mol 278 unq 0 iso 0 dist 8.62414 13.9754 6.35287 10.5063 8.00673 7.83538 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 7.29148 10.3993 9.454 6.48749 7.83341 6.93991 numMergedOcc 0
