0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 18.3683 10.789 7.31201 14.1217 7.12508 6.1206 4.40641 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.88982 13.9585 7.10621 18.3683 10.789 7.31201 16.6084 11.143 7.67927 5.03278 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.88982 13.9585 7.10621 19.3325 10.515 9.36807 14.1217 7.12508 6.1206 7.92429 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.88982 13.9585 7.10621 19.3325 10.515 9.36807 16.6084 11.143 7.67927 11.2233 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.8576 10.4545 8.41585 13.1708 6.06176 6.36911 18.0394 12.8323 9.87885 7.92429 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 10.8001 5.60154 8.47421 15.5234 8.69454 8.55451 5.66192 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 7.25179 13.7 8.57077 10.8001 5.60154 8.47421 12.539 5.84314 5.8245 3.91075 numMergedOcc 0
7 mol 9 unq 2 iso 0 dist 8.72522 16.5569 8.57077 10.7994 5.60154 8.47421 15.551 8.69454 8.55451 5.66192 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 8.72522 16.5569 8.57077 10.7994 5.60154 8.47421 13.4961 5.84314 5.8245 3.91075 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.0433 6.09023 9.66954 9.21978 6.63111 6.39384 6.49835 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.11612 10.3475 9.33865 9.95565 10.2377 7.64585 9.21978 6.63111 6.39384 5.65471 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 11.0433 6.09023 8.66155 6.17349 4.48636 7.69765 9.13361 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 11.0433 6.09023 8.66155 9.21978 6.63111 9.42082 6.49835 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 5.22628 10.0419 9.33865 10.2245 10.7942 7.76729 9.26505 6.95773 6.24825 5.78043 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 9.77482 11.3679 6.62561 5.20001 6.57678 6.10127 6.95589 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 10.4013 4.77464 9.81878 17.0406 12.8087 6.08673 12.2579 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 12.452 10.5783 8.96511 10.6504 8.44333 9.11204 5.87125 numMergedOcc 0
17 mol 178 unq 1 iso 0 dist 8.57378 4.51874 6.43573 12.452 5.96647 8.96511 10.6504 6.8202 9.11204 5.87125 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 8.22583 9.60512 7.98142 12.2912 10.6474 6.64173 4.48306 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 8.22583 9.60512 7.98142 14.976 5.93724 9.01624 12.2513 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.50454 11.755 7.63312 8.22583 9.60512 7.98142 12.82 5.12833 9.55105 10.2172 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.50454 11.755 7.63312 12.8564 13.3389 7.37327 12.2912 10.6474 6.64173 4.88823 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 9.50454 11.755 7.63312 12.8564 13.3389 7.37327 14.976 5.93724 9.01624 14.8923 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 9.50454 11.755 7.63312 12.8564 13.3389 7.37327 12.82 5.12833 9.55105 14.2334 numMergedOcc 0
24 mol 181 unq 6 iso 0 dist 6.43406 10.9813 7.81386 15.0054 9.53462 7.98142 11.1968 6.8757 6.64173 4.48306 numMergedOcc 0
25 mol 181 unq 7 iso 0 dist 6.43406 10.9813 7.81386 15.0054 9.53462 7.98142 9.45579 5.71898 9.01624 12.2513 numMergedOcc 0
26 mol 181 unq 8 iso 0 dist 6.43406 10.9813 7.81386 15.0054 9.53462 7.98142 11.3781 5.83796 9.55105 10.2172 numMergedOcc 0
27 mol 181 unq 9 iso 0 dist 6.43406 10.9813 7.81386 14.1437 11.1462 7.37327 11.1968 6.8757 6.64173 4.88823 numMergedOcc 0
28 mol 181 unq 10 iso 0 dist 6.43406 10.9813 7.81386 14.1437 11.1462 7.37327 9.45579 5.71898 9.01624 14.8923 numMergedOcc 0
29 mol 181 unq 11 iso 0 dist 6.43406 10.9813 7.81386 14.1437 11.1462 7.37327 11.3781 5.83796 9.55105 14.2334 numMergedOcc 0
30 mol 181 unq 12 iso 0 dist 8.80581 10.209 7.63312 16.0943 9.60512 7.98142 16.4043 10.6474 6.64173 4.48306 numMergedOcc 0
31 mol 181 unq 13 iso 0 dist 8.80581 10.209 7.63312 16.0943 9.60512 7.98142 11.369 5.93724 9.01624 12.2513 numMergedOcc 0
32 mol 181 unq 14 iso 0 dist 8.80581 10.209 7.63312 16.0943 9.60512 7.98142 12.9703 5.12833 9.55105 10.2172 numMergedOcc 0
33 mol 181 unq 15 iso 0 dist 8.80581 10.209 7.63312 17.06 13.3389 7.37327 16.4043 10.6474 6.64173 4.88823 numMergedOcc 0
34 mol 181 unq 16 iso 0 dist 8.80581 10.209 7.63312 17.06 13.3389 7.37327 11.369 5.93724 9.01624 14.8923 numMergedOcc 0
35 mol 181 unq 17 iso 0 dist 8.80581 10.209 7.63312 17.06 13.3389 7.37327 12.9703 5.12833 9.55105 14.2334 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 9.70674 6.23291 9.19704 19.2865 13.514 6.52816 13.4094 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 10.8956 6.12232 6.65984 11.4433 5.76843 8.79428 10.9705 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 15.1563 15.9563 9.5707 15.858 12.4252 7.81215 11.8229 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 7.17032 9.25445 9.45496 11.5443 11.216 7.85175 15.858 12.4252 7.81215 10.5304 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 6.59305 10.4664 6.55759 13.2221 10.3162 9.12776 15.4844 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 10.6202 11.2717 7.02475 13.2221 10.3162 9.12776 13.037 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 5.99187 5.87189 7.31233 13.1524 12.6986 7.67322 13.2221 10.3162 9.12776 9.75095 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 5.99187 5.87189 7.31233 9.63117 5.17471 7.19008 13.2221 10.3162 9.12776 6.12722 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 17.8606 10.1857 8.50864 10.2557 4.58289 9.05018 13.1523 numMergedOcc 0
