0 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 11.8288 14.5611 7.12263 5.7531 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 7.8922 6.69972 5.00267 11.0223 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 11.8288 14.5611 7.12263 4.88215 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 7.8922 6.69972 5.00267 6.80407 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 11.8288 14.5611 7.12263 6.36434 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 7.8922 6.69972 5.00267 8.44094 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 11.8288 14.5611 7.12263 8.79272 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 7.8922 6.69972 5.00267 6.32152 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 8.47421 3.98483 8.04924 8.57077 5.60154 9.78006 8.83269 6.81435 5.55437 11.0722 numMergedOcc 0
9 mol 9 unq 1 iso 0 dist 6.33889 11.0722 9.82483 15.1483 13.5628 7.05346 9.78006 10.4204 5.55437 6.119 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 10.7114 11.3767 9.38831 6.58998 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 10.7114 11.3767 9.38831 11.0493 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.99777 7.3094 9.9928 7.88312 11.7126 5.72642 5.74857 6.03931 8.71286 7.21418 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.5183 7.36192 7.99857 14.7025 8.96522 8.03035 4.99056 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 16.7981 10.6679 8.56342 14.7025 8.96522 8.03035 3.78311 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.63176 4.91132 5.85818 10.3704 7.36192 7.99857 7.77116 8.96522 8.03035 4.99056 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 8.73993 10.6679 8.56342 7.77116 8.96522 8.03035 3.78311 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 6.19042 7.61939 9.87025 9.87172 6.35763 7.99857 13.1741 11.1324 8.03035 4.99056 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 6.19042 7.61939 9.87025 12.6489 10.0197 8.56342 13.1741 11.1324 8.03035 3.78311 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 7.44174 7.61939 5.85818 9.87172 7.36192 7.99857 13.1741 8.96522 8.03035 4.99056 numMergedOcc 0
20 mol 119 unq 7 iso 0 dist 7.44174 7.61939 5.85818 12.6489 10.6679 8.56342 13.1741 8.96522 8.03035 3.78311 numMergedOcc 0
21 mol 119 unq 8 iso 0 dist 8.43904 10.326 9.87025 10.1813 6.35763 7.99857 12.6868 11.1324 8.03035 4.99056 numMergedOcc 0
22 mol 119 unq 9 iso 0 dist 8.43904 10.326 9.87025 9.72413 10.0197 8.56342 12.6868 11.1324 8.03035 3.78311 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 16.9997 11.2831 9.23528 9.02993 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 16.9997 11.2831 9.23528 14.4247 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.88137 7.7635 7.04913 10.2717 5.07967 7.73169 11.0871 6.6213 4.9941 5.82636 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 15.173 6.47974 8.77887 13.4429 4.05428 9.05835 5.16512 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 13.8822 6.47974 8.77887 12.3955 4.05428 9.05835 5.16512 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 11.6573 6.08698 8.93185 6.90702 numMergedOcc 0
29 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 11.6573 6.08698 8.93185 10.4526 numMergedOcc 0
30 mol 218 unq 2 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 11.6573 6.08698 8.93185 8.94041 numMergedOcc 0
31 mol 218 unq 3 iso 0 dist 7.18041 5.282 6.23898 11.7007 7.35842 8.0751 11.6573 6.08698 8.22792 7.85475 numMergedOcc 0
32 mol 218 unq 4 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 11.6573 13.6339 8.93185 6.90702 numMergedOcc 0
33 mol 218 unq 5 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 11.6573 13.6339 8.93185 10.4526 numMergedOcc 0
34 mol 218 unq 6 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 11.6573 13.6339 8.93185 8.94041 numMergedOcc 0
35 mol 218 unq 7 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 18.3561 13.6339 8.93185 6.90702 numMergedOcc 0
36 mol 218 unq 8 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 18.3561 13.6339 8.93185 10.4526 numMergedOcc 0
37 mol 218 unq 9 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 18.3561 13.6339 8.93185 8.94041 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 7.22101 6.43754 8.03442 8.38865 5.92529 9.56257 11.0628 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 8.65997 6.43754 8.03442 5.4694 5.92529 9.56257 11.0628 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.67322 11.0349 7.61203 11.5794 11.6239 5.52379 17.2012 10.6355 9.89583 14.1055 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 9.68513 5.87253 9.47845 10.0419 13.9614 5.52379 6.4398 6.48619 9.89583 14.1055 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 9.29858 10.7551 9.47845 12.2442 13.9614 5.52379 7.32982 6.48619 9.89583 14.1055 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 9.90142 10.7508 6.92409 13.6591 12.3042 5.52379 6.66971 5.8333 9.89583 14.1055 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 5.9216 5.87253 6.92409 10.0419 12.3042 5.52379 6.4398 5.8333 9.89583 14.1055 numMergedOcc 0
45 mol 238 unq 5 iso 0 dist 7.49471 13.0113 6.89694 11.0896 5.54325 5.52379 20.0741 16.1577 9.89583 14.1055 numMergedOcc 0
46 mol 238 unq 6 iso 0 dist 7.19008 11.0349 6.89694 11.5794 5.54325 5.52379 17.2012 16.1577 9.89583 14.1055 numMergedOcc 0
47 mol 294 unq 0 iso 0 dist 9.03492 5.25615 8.32473 8.15665 6.17102 9.13907 12.1586 8.73481 7.41079 12.0308 numMergedOcc 0
