0 mol 12 unq 0 iso 0 dist 8.34132 6.16894 8.98466 10.8052 12.3127 5.9021 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.88657 6.58303 5.71901 11.6667 6.23746 8.19687 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.53191 4.98983 5.44539 9.44826 4.57786 8.13653 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.47099 14.3421 7.14636 14.7573 5.37162 6.67079 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.56878 4.76335 8.30431 6.56395 8.0979 4.628 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 6.56395 4.76335 4.628 6.56878 8.0979 8.30431 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.58684 13.4736 8.14932 15.4104 8.91253 6.17846 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 8.69782 6.34034 7.09393 7.69888 3.83043 3.87167 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.69888 6.34034 3.87167 8.69782 3.83043 7.09393 numMergedOcc 0
9 mol 69 unq 2 iso 0 dist 9.35592 8.85272 7.09393 9.6155 3.83043 3.87167 numMergedOcc 0
10 mol 69 unq 3 iso 0 dist 9.6155 8.85272 3.87167 9.35592 3.83043 7.09393 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.81722 12.7037 5.39171 12.2576 5.47475 9.27355 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.81722 12.7037 5.39171 14.0017 5.05066 8.60363 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.27446 14.5698 9.27355 12.9325 5.47475 5.39171 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.27446 14.5698 9.27355 9.76332 4.4628 8.60363 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 9.76332 14.5698 8.60363 12.9325 5.05066 5.39171 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 9.76332 14.5698 8.60363 8.27446 4.4628 9.27355 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 8.11757 11.8426 8.67865 16.8124 14.4981 9.56884 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 8.11757 11.8426 8.67865 9.4667 10.1168 8.40148 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 9.4667 11.8426 8.40148 16.8124 7.79762 9.56884 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 9.4667 11.8426 8.40148 8.11757 10.1168 8.67865 numMergedOcc 0
21 mol 108 unq 0 iso 0 dist 8.92763 15.136 9.32474 14.5447 6.45014 8.80334 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 8.22236 5.82302 6.25455 11.6924 5.82281 8.14441 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 9.64653 13.6816 8.51118 14.9255 7.28269 6.5 numMergedOcc 0
24 mol 199 unq 0 iso 0 dist 8.73522 11.0022 9.88917 16.1687 10.3162 9.56785 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 8.71376 10.5175 8.98362 16.7454 13.3644 7.57716 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.13354 5.7425 9.09835 9.90375 5.24285 7.21466 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 9.90375 5.7425 7.21466 9.13354 5.24285 9.09835 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 8.05967 4.7367 6.18866 9.62613 5.2966 9.3807 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 9.62613 4.7367 9.3807 8.05967 5.2966 6.18866 numMergedOcc 0
30 mol 249 unq 2 iso 0 dist 8.75137 13.7221 6.18866 7.82699 5.2966 9.3807 numMergedOcc 0
31 mol 249 unq 3 iso 0 dist 7.82699 13.7221 9.3807 8.75137 5.2966 6.18866 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 9.82588 5.67559 6.51449 14.9852 11.6752 9.50221 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 9.51551 5.09576 6.5072 10.1711 10.1588 9.56472 numMergedOcc 0
34 mol 265 unq 1 iso 0 dist 9.51551 5.09576 6.5072 8.25956 7.82127 4.03921 numMergedOcc 0
35 mol 265 unq 2 iso 0 dist 8.25956 5.09576 4.03921 10.1711 13.1954 9.56472 numMergedOcc 0
36 mol 265 unq 3 iso 0 dist 8.25956 5.09576 4.03921 9.51551 7.82127 6.5072 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 8.5942 6.54424 9.3482 14.439 14.0317 8.70702 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 8.5942 6.54424 9.3482 13.5532 16.6298 9.43706 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 9.91042 14.1974 5.76337 10.2437 4.46072 9.39625 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 9.91042 15.7275 8.60441 10.2437 4.46072 6.97558 numMergedOcc 0
