0 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 9.81175 7.35595 9.23576 13.1327 5.79773 9.91611 8.59794 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.88504 4.12027 9.01083 10.446 12.3193 8.54906 11.0821 8.18643 7.88289 6.6292 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 5.38954 6.29427 7.70533 12.6233 13.1058 7.90328 14.3476 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 15.9373 15.4455 9.4473 11.5292 5.61668 6.82262 11.1611 numMergedOcc 0
4 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 17.9079 11.5099 8.69888 12.5882 6.2715 5.6234 5.50014 numMergedOcc 0
5 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 17.9079 11.5099 8.69888 15.3964 8.16421 6.57069 7.39186 numMergedOcc 0
6 mol 175 unq 2 iso 0 dist 7.94593 13.2723 9.0018 17.938 12.1783 5.08206 12.5882 6.2715 5.6234 7.28617 numMergedOcc 0
7 mol 175 unq 3 iso 0 dist 7.94593 13.2723 9.0018 17.938 12.1783 5.08206 15.3964 8.16421 6.57069 5.77256 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 9.32502 12.2822 8.0974 8.57378 5.34677 6.43573 12.4338 numMergedOcc 0
9 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 9.32502 12.2822 8.0974 10.1979 11.7381 7.17202 13.9722 numMergedOcc 0
10 mol 178 unq 2 iso 0 dist 5.41229 4.51874 6.69288 9.32502 12.2822 8.0974 13.0631 14.0703 8.81551 13.5599 numMergedOcc 0
11 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 9.32502 12.4338 8.0974 5.41229 5.34677 6.69288 12.2822 numMergedOcc 0
12 mol 178 unq 4 iso 0 dist 8.57378 4.51874 6.43573 9.32502 12.4338 8.0974 10.1979 9.89739 7.17202 13.9722 numMergedOcc 0
13 mol 178 unq 5 iso 0 dist 8.57378 4.51874 6.43573 9.32502 12.4338 8.0974 13.0631 10.5529 8.81551 13.5599 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.3088 5.41021 9.33771 11.7326 4.70378 6.57273 4.91322 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 11.3088 5.41021 9.33771 14.3448 11.5372 5.78342 12.979 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 15.6817 9.36962 9.79616 12.3857 5.0744 6.57273 5.63485 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 15.3716 7.18448 9.29703 12.3857 5.0744 5.78342 4.8786 numMergedOcc 0
18 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 15.3716 7.18448 9.29703 14.6947 6.91102 5.81334 6.38066 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 10.3522 4.74041 5.89084 8.9413 5.88703 9.45496 6.16697 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 10.3522 4.74041 8.47009 8.9413 5.88703 6.7625 6.16697 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 11.0631 4.74041 5.89084 11.5469 5.88703 9.45496 6.16697 numMergedOcc 0
22 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 11.0631 4.74041 8.47009 11.5469 5.88703 6.7625 6.16697 numMergedOcc 0
23 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 10.3522 6.16697 5.89084 6.15754 5.88703 6.56247 4.74041 numMergedOcc 0
24 mol 234 unq 5 iso 0 dist 8.9413 14.0876 6.7625 10.3522 6.16697 8.47009 6.15754 5.88703 9.36357 4.74041 numMergedOcc 0
25 mol 234 unq 6 iso 0 dist 4.91961 11.5103 9.45496 9.5831 6.16697 5.89084 10.2233 5.88703 6.56247 4.74041 numMergedOcc 0
26 mol 234 unq 7 iso 0 dist 4.91961 4.98993 6.7625 9.5831 6.16697 8.47009 10.2233 5.88703 9.36357 4.74041 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 8.8726 9.22664 8.58088 11.1218 7.26417 6.60405 10.221 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 5.72197 4.58403 5.67266 10.5849 10.0156 8.04483 9.63727 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 5.72197 4.58403 5.67266 7.12228 4.66602 6.33524 5.04235 numMergedOcc 0
30 mol 282 unq 2 iso 0 dist 7.34596 4.36798 8.76532 9.24294 10.5698 5.80981 10.5849 10.0156 8.04483 9.60898 numMergedOcc 0
31 mol 282 unq 3 iso 0 dist 7.34596 4.36798 8.76532 9.24294 10.5698 5.80981 7.12228 4.66602 6.33524 8.37652 numMergedOcc 0
32 mol 282 unq 4 iso 0 dist 7.34596 4.36798 8.76532 11.6773 13.108 9.63346 10.5849 10.0156 8.04483 4.85461 numMergedOcc 0
33 mol 282 unq 5 iso 0 dist 7.34596 4.36798 8.76532 11.6773 13.108 9.63346 7.12228 4.66602 6.33524 8.85797 numMergedOcc 0
34 mol 282 unq 6 iso 0 dist 7.12228 4.36798 6.33524 5.72197 5.04235 5.67266 10.5849 5.39891 8.04483 9.63727 numMergedOcc 0
35 mol 282 unq 7 iso 0 dist 7.12228 4.36798 6.33524 5.72197 5.04235 5.67266 7.34596 4.66602 8.76532 4.58403 numMergedOcc 0
36 mol 282 unq 8 iso 0 dist 7.12228 4.36798 6.33524 9.24294 8.37652 5.80981 10.5849 5.39891 8.04483 9.60898 numMergedOcc 0
37 mol 282 unq 9 iso 0 dist 7.12228 4.36798 6.33524 9.24294 8.37652 5.80981 7.34596 4.66602 8.76532 10.5698 numMergedOcc 0
38 mol 282 unq 10 iso 0 dist 7.12228 4.36798 6.33524 11.6773 8.85797 9.63346 10.5849 5.39891 8.04483 4.85461 numMergedOcc 0
39 mol 282 unq 11 iso 0 dist 7.12228 4.36798 6.33524 11.6773 8.85797 9.63346 7.34596 4.66602 8.76532 13.108 numMergedOcc 0
