0 mol 7 unq 0 iso 0 dist 5.99898 5.77391 7.67927 8.36111 4.80709 6.1206 17.4437 14.1836 13.2247 9.87885 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.2834 10.3415 7.67927 10.7311 4.80709 6.1206 18.4377 14.1836 13.2247 9.87885 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.21616 5.61445 6.42835 9.45103 6.09368 6.57331 12.5048 11.0298 6.92781 8.43054 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 6.21616 6.09368 6.42835 5.70228 13.1847 10.2656 7.65889 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.16985 6.12361 6.21799 7.81344 3.43675 5.03251 11.4334 10.9808 5.8486 9.56773 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 7.81344 6.12361 5.03251 8.16985 3.43675 6.21799 10.1721 10.7906 7.04035 9.74228 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 8.16985 3.43675 6.21799 11.6369 9.35457 8.24309 7.12321 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 7.49245 5.43672 5.03251 10.226 3.43675 6.21799 11.8333 10.7906 7.04035 9.74228 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 7.49245 5.43672 5.03251 10.226 3.43675 6.21799 13.6461 9.35457 8.24309 7.12321 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 5.49421 6.12361 7.66093 8.16985 5.75711 6.21799 10.1721 12.952 7.04035 9.74228 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 5.49421 6.12361 7.66093 8.16985 5.75711 6.21799 11.6369 12.1131 8.24309 7.12321 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 5.49421 6.12361 7.66093 7.81344 5.26077 5.03251 11.4334 13.336 5.8486 9.56773 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.47628 7.43704 8.72682 12.083 9.76138 5.61588 11.3723 10.2939 8.07446 5.5087 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 9.47628 7.43704 8.72682 11.7824 5.81659 7.83244 11.3723 10.2939 8.07446 6.08682 numMergedOcc 0
14 mol 89 unq 0 iso 0 dist 5.10735 4.77072 6.53308 10.0839 7.04263 7.47974 13.7233 13.0722 9.1532 8.40422 numMergedOcc 0
15 mol 89 unq 1 iso 0 dist 5.10735 4.77072 6.53308 10.0839 7.04263 7.47974 9.60088 10.7697 4.8812 8.40425 numMergedOcc 0
16 mol 89 unq 2 iso 0 dist 5.10735 4.77072 6.53308 10.0839 7.04263 7.47974 14.2907 12.3442 10.4087 5.51831 numMergedOcc 0
17 mol 89 unq 3 iso 0 dist 5.10735 4.77072 6.53308 10.0839 7.04263 7.47974 15.362 15.1929 10.8948 9.65149 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 9.55337 9.6331 5.92242 12.0507 9.89095 9.51923 5.10496 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 4.79891 4.72129 7.02507 9.55337 9.6331 5.92242 12.0339 12.7417 9.42358 5.2571 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 4.79891 4.72129 7.02507 9.55337 9.6331 5.92242 16.9512 17.1287 13.9786 8.7497 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 6.74197 11.0642 7.54889 12.3653 6.70343 5.2571 13.9683 9.81956 8.40073 5.10496 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.74197 11.0642 7.54889 12.3653 6.70343 5.2571 17.3037 10.8223 9.42358 5.92242 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 6.74197 11.0642 7.54889 12.3653 6.70343 5.2571 7.71768 7.78931 5.02887 8.7497 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 6.74197 7.71768 7.78931 12.3653 6.70343 8.7497 13.9683 9.81956 10.2427 5.10496 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 6.74197 7.71768 7.78931 12.3653 6.70343 8.7497 17.3037 10.8223 13.9786 5.92242 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 6.74197 7.71768 7.78931 12.3653 6.70343 8.7497 11.0642 7.54889 5.02887 5.2571 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 5.58623 7.49425 7.86666 13.5568 15.7676 17.2949 9.77497 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.49352 10.5666 5.35237 11.0722 6.05407 8.70621 16.1534 10.6728 13.7309 6.42772 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.49352 10.5666 5.35237 11.0722 6.05407 8.70621 16.6084 9.71716 7.09823 9.1998 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 7.49352 14.3463 7.99477 9.78764 4.87973 9.00918 16.1534 10.6728 14.069 9.10524 numMergedOcc 0
31 mol 207 unq 0 iso 0 dist 8.01415 5.62653 5.12567 8.25861 6.07936 6.0563 4.4545 10.4761 5.99308 9.98372 numMergedOcc 0
32 mol 207 unq 1 iso 0 dist 8.01415 5.62653 5.12567 8.5067 10.1734 8.1244 4.4545 10.4761 5.99308 9.1528 numMergedOcc 0
33 mol 207 unq 2 iso 0 dist 9.3 10.0122 9.98372 6.76443 4.66347 9.1528 9.87241 6.0563 5.99308 8.1244 numMergedOcc 0
34 mol 207 unq 3 iso 0 dist 9.3 9.87241 6.0563 6.76443 4.66347 8.1244 10.0122 9.98372 5.99308 9.1528 numMergedOcc 0
35 mol 207 unq 4 iso 0 dist 8.25861 4.4545 9.98372 8.5067 4.66347 9.1528 5.62653 6.0563 5.99308 8.1244 numMergedOcc 0
36 mol 207 unq 5 iso 0 dist 8.25861 5.62653 6.0563 8.5067 4.66347 8.1244 4.4545 9.98372 5.99308 9.1528 numMergedOcc 0
37 mol 207 unq 6 iso 0 dist 8.61191 14.6821 9.1528 11.9271 4.66347 9.98372 14.5186 8.1244 5.99308 6.0563 numMergedOcc 0
38 mol 207 unq 7 iso 0 dist 8.61191 14.5186 8.1244 11.9271 4.66347 6.0563 14.6821 9.1528 5.99308 9.98372 numMergedOcc 0
39 mol 207 unq 8 iso 0 dist 6.76443 10.0122 9.1528 9.3 4.66347 9.98372 9.87241 8.1244 5.99308 6.0563 numMergedOcc 0
40 mol 207 unq 9 iso 0 dist 6.76443 9.87241 8.1244 9.3 4.66347 6.0563 10.0122 9.1528 5.99308 9.98372 numMergedOcc 0
41 mol 207 unq 10 iso 0 dist 8.5067 4.4545 9.1528 8.25861 4.66347 9.98372 5.62653 8.1244 5.99308 6.0563 numMergedOcc 0
42 mol 207 unq 11 iso 0 dist 8.5067 5.62653 8.1244 8.25861 4.66347 6.0563 4.4545 9.1528 5.99308 9.98372 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 10.0621 4.8835 6.29377 8.38435 5.1823 7.218 5.70635 numMergedOcc 0
44 mol 235 unq 1 iso 0 dist 6.50932 8.38435 5.1823 10.0621 4.8835 5.70635 14.2513 8.19317 7.218 6.29377 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.2885 5.43184 8.03219 10.5384 8.0048 6.9899 11.2159 11.7465 9.98105 5.85442 numMergedOcc 0
