0 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 7.49157 6.72423 9.41655 8.66248 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 7.73794 4.0664 6.803 6.73521 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 7.49157 6.72423 9.41655 10.0118 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 7.73794 4.0664 6.803 6.07594 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.5183 7.36192 7.99857 4.80684 3.71283 7.62197 10.4816 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 16.7981 10.6679 8.56342 4.80684 3.71283 7.62197 13.2169 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 9.63176 4.91132 5.85818 10.3704 7.36192 7.99857 10.1864 3.71283 7.62197 10.4816 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 8.73993 10.6679 8.56342 10.1864 3.71283 7.62197 13.2169 numMergedOcc 0
8 mol 119 unq 4 iso 0 dist 6.19042 7.61939 9.87025 9.87172 6.35763 7.99857 10.3523 12.2671 7.62197 10.4816 numMergedOcc 0
9 mol 119 unq 5 iso 0 dist 6.19042 7.61939 9.87025 12.6489 10.0197 8.56342 10.3523 12.2671 7.62197 13.2169 numMergedOcc 0
10 mol 119 unq 6 iso 0 dist 7.44174 7.61939 5.85818 9.87172 7.36192 7.99857 10.3523 3.71283 7.62197 10.4816 numMergedOcc 0
11 mol 119 unq 7 iso 0 dist 7.44174 7.61939 5.85818 12.6489 10.6679 8.56342 10.3523 3.71283 7.62197 13.2169 numMergedOcc 0
12 mol 119 unq 8 iso 0 dist 8.43904 10.326 9.87025 10.1813 6.35763 7.99857 16.741 12.2671 7.62197 10.4816 numMergedOcc 0
13 mol 119 unq 9 iso 0 dist 8.43904 10.326 9.87025 9.72413 10.0197 8.56342 16.741 12.2671 7.62197 13.2169 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 19.7713 13.3536 7.19893 4.19634 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 16.915 9.88741 6.37938 4.45407 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 19.7713 13.3536 7.19893 10.2041 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 16.915 9.88741 6.37938 10.5141 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.31887 13.9336 7.01126 19.63 11.1651 7.35824 13.2856 5.31608 6.90373 10.7092 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 15.173 6.47974 8.77887 9.84566 4.11581 9.12454 8.36988 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 13.8822 6.47974 8.77887 11.546 4.11581 9.12454 8.36988 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 6.90541 5.48276 7.48284 13.353 12.0548 8.57261 7.86092 4.61059 6.18257 8.02684 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 7.90031 6.74772 8.15936 12.0399 5.72073 9.18635 9.76973 8.56728 5.20846 9.65062 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 7.90031 6.74772 8.15936 13.7844 12.2117 8.10985 9.76973 8.56728 5.20846 4.27652 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 7.21533 6.74772 8.16598 12.0399 9.94078 9.18635 9.76973 6.76174 5.20846 9.65062 numMergedOcc 0
25 mol 198 unq 3 iso 0 dist 7.21533 6.74772 8.16598 13.7844 10.8191 8.10985 9.76973 6.76174 5.20846 4.27652 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.19704 5.28092 5.42696 6.03031 8.66809 8.44861 9.44789 3.72865 5.19567 9.96193 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 9.19704 5.28092 5.42696 7.26832 6.23291 5.60393 9.44789 3.72865 5.19567 4.30308 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 6.1896 4.24855 8.98941 10.1632 numMergedOcc 0
29 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 6.09255 5.31276 6.45381 6.67144 numMergedOcc 0
30 mol 218 unq 2 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 6.1896 4.24855 8.98941 13.1733 numMergedOcc 0
31 mol 218 unq 3 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 6.09255 5.31276 6.45381 8.38909 numMergedOcc 0
32 mol 218 unq 4 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 6.1896 4.24855 8.98941 15.3828 numMergedOcc 0
33 mol 218 unq 5 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 6.09255 5.31276 6.45381 12.4463 numMergedOcc 0
34 mol 218 unq 6 iso 0 dist 7.18041 5.282 6.23898 11.7007 7.35842 8.0751 6.1896 4.24855 5.4621 6.24608 numMergedOcc 0
35 mol 218 unq 7 iso 0 dist 7.18041 5.282 6.23898 11.7007 7.35842 8.0751 6.09255 5.31276 8.91819 12.235 numMergedOcc 0
36 mol 218 unq 8 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 6.1896 10.7049 8.98941 10.1632 numMergedOcc 0
37 mol 218 unq 9 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 6.09255 4.36581 6.45381 6.67144 numMergedOcc 0
38 mol 218 unq 10 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 6.1896 10.7049 8.98941 13.1733 numMergedOcc 0
39 mol 218 unq 11 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 6.09255 4.36581 6.45381 8.38909 numMergedOcc 0
40 mol 218 unq 12 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 6.1896 10.7049 8.98941 15.3828 numMergedOcc 0
41 mol 218 unq 13 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 6.09255 4.36581 6.45381 12.4463 numMergedOcc 0
42 mol 218 unq 14 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 13.5775 10.7049 8.98941 10.1632 numMergedOcc 0
43 mol 218 unq 15 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 10.0144 4.36581 6.45381 6.67144 numMergedOcc 0
44 mol 218 unq 16 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 13.5775 10.7049 8.98941 13.1733 numMergedOcc 0
45 mol 218 unq 17 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 10.0144 4.36581 6.45381 8.38909 numMergedOcc 0
46 mol 218 unq 18 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 13.5775 10.7049 8.98941 15.3828 numMergedOcc 0
47 mol 218 unq 19 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 10.0144 4.36581 6.45381 12.4463 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 12.5053 14.0295 9.76731 17.5547 numMergedOcc 0
49 mol 252 unq 1 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 12.6598 10.3309 8.38599 14.3189 numMergedOcc 0
50 mol 252 unq 2 iso 0 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 12.5053 14.0295 9.76731 11.5735 numMergedOcc 0
51 mol 252 unq 3 iso 0 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 12.6598 10.3309 8.38599 6.19934 numMergedOcc 0
