0 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.8924 15.562 8.94096 10.5239 11.0277 5.02333 8.99126 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.60154 9.29529 8.04924 8.57077 8.27962 3.98483 8.47421 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.60154 7.2199 8.04924 8.57077 11.4878 3.98483 8.47421 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 11.7126 9.9411 9.9928 7.88312 4.61908 7.3094 6.99777 numMergedOcc 0
4 mol 156 unq 0 iso 0 dist 7.36119 7.73169 14.0853 5.07967 12.2304 7.04913 10.2717 16.8595 7.7635 6.88137 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 9.52634 7.35824 6.05776 11.1651 10.1855 7.01126 19.63 14.3099 13.9336 9.31887 numMergedOcc 0
6 mol 175 unq 1 iso 0 dist 9.52634 9.17364 5.85047 11.1651 10.1855 6.58434 19.63 14.3099 11.873 9.31887 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 5.4601 10.5561 7.345 5.98885 5.86342 5.93488 7.20046 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 6.94688 6.51749 10.4684 10.0524 11.7007 9.52987 5.98885 5.86342 5.93488 7.13543 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 6.71012 6.51749 12.69 5.4601 9.94131 7.345 5.98885 9.14057 5.93488 7.20046 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 6.71012 6.51749 12.69 10.0524 12.8673 9.52987 5.98885 9.14057 5.93488 7.13543 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 6.97182 6.38157 9.26037 6.67959 11.7443 5.10114 8.85478 8.47007 5.63388 7.46831 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 6.97182 6.38157 9.26037 6.67959 11.7443 5.10114 11.9355 15.1286 6.214 8.60247 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 6.1175 6.38157 11.353 6.67959 12.7646 5.10114 8.85478 12.8334 5.63388 7.46831 numMergedOcc 0
14 mol 214 unq 3 iso 0 dist 6.1175 6.38157 11.353 6.67959 12.7646 5.10114 11.9355 16.8311 6.214 8.60247 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.53199 8.06216 5.31559 7.47048 6.75035 9.67381 10.9501 10.2673 10.3246 7.17547 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 8.53199 8.06216 5.31559 7.47048 6.75035 9.67381 12.8943 6.60235 9.8301 7.13323 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 8.53199 5.76954 8.21424 9.68444 14.1171 6.86795 10.9501 10.2673 5.7776 7.18041 numMergedOcc 0
18 mol 218 unq 3 iso 0 dist 8.53199 5.76954 8.21424 7.47048 6.75035 6.61099 10.9501 10.2673 5.7776 7.17547 numMergedOcc 0
19 mol 218 unq 4 iso 0 dist 8.53199 5.76954 8.21424 7.47048 6.75035 6.61099 12.8943 6.60235 9.97783 7.13323 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 6.48757 13.4404 8.53148 7.69895 10.1857 5.99459 6.07192 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 5.31048 11.4462 6.39918 12.0576 16.982 5.60748 7.48005 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.77938 8.59697 12.1218 5.31048 11.4462 6.39918 5.30224 4.99891 7.31951 8.37865 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 7.76676 8.59697 9.22203 5.31048 9.64797 6.39918 12.0576 13.546 5.60748 7.48005 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 7.76676 8.59697 9.22203 5.31048 9.64797 6.39918 5.30224 5.32839 7.31951 8.37865 numMergedOcc 0
