0 mol 20 unq 0 iso 0 dist 9.22796 4.68566 8.25405 10.4896 7.99756 9.46385 11.9031 5.48225 8.72023 10.3469 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.41141 11.5374 9.45329 6.74666 9.63906 9.21465 10.1583 5.74372 7.9814 8.06267 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 7.41141 11.5374 9.45329 7.20177 7.71872 6.22999 10.1583 5.74372 7.9814 5.88334 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 6.88175 6.89245 9.6121 9.26859 4.55071 10.7475 8.88255 6.9194 7.77116 10.1864 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 9.78215 9.01144 6.78801 5.51628 8.49847 9.93041 14.0009 4.57579 9.15431 11.6414 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 9.78215 9.01144 6.78801 5.51628 8.49847 9.93041 15.4649 8.57203 6.92648 15.2551 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 9.78215 9.01144 6.78801 5.51628 8.49847 9.93041 17.0179 12.6005 9.29384 18.8134 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.49352 13.8289 8.48313 5.55879 4.94473 12.7348 17.6189 14.2036 7.36779 18.4634 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 7.49352 13.8289 8.48313 5.55879 4.94473 12.7348 21.3593 16.4114 8.20836 20.8896 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 8.09699 5.07688 8.999 6.65338 9.68512 11.6193 9.43214 4.00127 9.11712 11.9039 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.56602 13.1069 7.04815 7.93285 6.94594 6.50208 18.6562 13.6744 9.83476 11.8448 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.56602 13.1069 7.04815 8.70013 5.81881 6.3786 18.6562 13.6744 9.83476 10.0218 numMergedOcc 0
12 mol 207 unq 0 iso 0 dist 9.93721 12.3816 8.78061 6.78639 7.30153 5.62485 20.4515 14.0642 8.32218 13.7929 numMergedOcc 0
13 mol 207 unq 1 iso 0 dist 9.93721 12.3816 8.78061 6.78639 7.30153 5.62485 13.5803 4.56899 7.96797 9.29009 numMergedOcc 0
14 mol 207 unq 2 iso 0 dist 6.29106 9.63255 8.78061 6.22421 7.30153 5.62485 16.8531 14.0642 8.32218 13.7929 numMergedOcc 0
15 mol 207 unq 3 iso 0 dist 6.29106 9.63255 8.78061 6.22421 7.30153 5.62485 8.29666 4.56899 7.96797 9.29009 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 7.95984 8.51564 6.42747 15.3453 7.72528 10.3735 7.54763 4.86046 8.01198 11.6079 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.05095 10.1582 7.14086 12.4866 8.55386 9.4435 15.2039 11.4167 6.04162 14.1991 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 7.05095 10.1582 7.14086 12.4866 8.55386 9.4435 15.562 13.2035 6.14323 13.9142 numMergedOcc 0
