D0B8GA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.955 -0.087 -0.018 1.00 0.00 C HETATM 2 C UNL 1 5.133 -0.087 -0.018 1.00 0.00 C HETATM 3 C UNL 1 -1.205 1.056 -0.517 1.00 0.00 C HETATM 4 C UNL 1 -1.925 -0.087 -0.018 1.00 0.00 C HETATM 5 C UNL 1 -1.205 -1.230 0.481 1.00 0.00 C HETATM 6 C UNL 1 0.235 -1.230 0.481 1.00 0.00 C HETATM 7 N UNL 1 2.348 -0.087 -0.018 1.00 0.00 N HETATM 8 C UNL 1 3.044 1.018 -0.501 1.00 0.00 C HETATM 9 N UNL 1 4.437 1.018 -0.501 1.00 0.00 N HETATM 10 C UNL 1 3.083 -1.254 0.492 1.00 0.00 C HETATM 11 C UNL 1 3.336 -2.230 -0.646 1.00 0.00 C HETATM 12 C UNL 1 7.324 -6.600 -2.744 1.00 0.00 C HETATM 13 C UNL 1 6.155 -5.760 -2.764 1.00 0.00 C HETATM 14 C UNL 1 5.915 -4.835 -1.686 1.00 0.00 C HETATM 15 C UNL 1 4.745 -3.995 -1.705 1.00 0.00 C HETATM 16 C UNL 1 4.505 -3.070 -0.627 1.00 0.00 C HETATM 17 C UNL 1 -1.965 -2.437 1.008 1.00 0.00 C HETATM 18 C UNL 1 -3.706 -0.180 -1.952 1.00 0.00 C HETATM 19 N UNL 1 -3.149 -0.970 -0.949 1.00 0.00 N HETATM 20 O UNL 1 -3.798 -2.000 -0.499 1.00 0.00 O HETATM 21 C UNL 1 -3.261 -2.763 0.470 1.00 0.00 C HETATM 22 C UNL 1 -2.946 1.027 -2.479 1.00 0.00 C HETATM 23 C UNL 1 -4.021 -3.969 0.997 1.00 0.00 C HETATM 24 N UNL 1 2.309 2.185 -1.010 1.00 0.00 N HETATM 25 C UNL 1 2.896 3.018 -2.069 1.00 0.00 C HETATM 26 C UNL 1 1.941 4.150 -2.411 1.00 0.00 C HETATM 27 N UNL 1 -1.940 2.222 -1.026 1.00 0.00 N1+ HETATM 28 O UNL 1 -1.787 2.584 -2.188 1.00 0.00 O HETATM 29 O UNL 1 -2.797 2.905 -0.204 1.00 0.00 O1- HETATM 30 H UNL 1 -2.957 -0.087 -0.018 1.00 0.00 H HETATM 31 H UNL 1 0.751 -2.050 0.839 1.00 0.00 H HETATM 32 H UNL 1 2.504 -1.736 1.252 1.00 0.00 H HETATM 33 H UNL 1 4.018 -0.935 0.903 1.00 0.00 H HETATM 34 H UNL 1 8.087 -7.275 -2.914 1.00 0.00 H HETATM 35 H UNL 1 5.489 -5.820 -3.550 1.00 0.00 H HETATM 36 H UNL 1 6.581 -4.775 -0.899 1.00 0.00 H HETATM 37 H UNL 1 4.080 -4.055 -2.491 1.00 0.00 H HETATM 38 H UNL 1 5.171 -3.010 0.159 1.00 0.00 H HETATM 39 H UNL 1 -3.524 1.508 -3.239 1.00 0.00 H HETATM 40 H UNL 1 -2.011 0.708 -2.890 1.00 0.00 H HETATM 41 H UNL 1 -2.767 1.713 -1.678 1.00 0.00 H HETATM 42 H UNL 1 -4.956 -4.054 0.484 1.00 0.00 H HETATM 43 H UNL 1 -4.199 -3.849 2.045 1.00 0.00 H HETATM 44 H UNL 1 -3.443 -4.855 0.833 1.00 0.00 H HETATM 45 H UNL 1 1.424 2.408 -0.642 1.00 0.00 H HETATM 46 H UNL 1 3.068 2.421 -2.939 1.00 0.00 H HETATM 47 H UNL 1 3.825 3.427 -1.728 1.00 0.00 H HETATM 48 H UNL 1 1.013 3.742 -2.752 1.00 0.00 H HETATM 49 H UNL 1 2.368 4.757 -3.182 1.00 0.00 H HETATM 50 H UNL 1 1.769 4.747 -1.541 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 9 CONECT 3 2 4 27 CONECT 4 3 5 30 CONECT 5 4 6 17 CONECT 6 5 1 31 CONECT 7 1 8 10 CONECT 8 7 9 24 CONECT 9 8 2 CONECT 10 7 11 32 33 CONECT 11 10 12 16 CONECT 12 11 13 34 CONECT 13 12 14 35 CONECT 14 13 15 36 CONECT 15 14 16 37 CONECT 16 15 11 38 CONECT 17 5 18 21 CONECT 18 17 19 22 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 17 23 CONECT 22 18 39 40 41 CONECT 23 21 42 43 44 CONECT 24 8 25 45 CONECT 25 24 26 46 47 CONECT 26 25 48 49 50 CONECT 27 3 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 4 CONECT 31 6 CONECT 32 10 CONECT 33 10 CONECT 34 12 CONECT 35 13 CONECT 36 14 CONECT 37 15 CONECT 38 16 CONECT 39 22 CONECT 40 22 CONECT 41 22 CONECT 42 23 CONECT 43 23 CONECT 44 23 CONECT 45 24 CONECT 46 25 CONECT 47 25 CONECT 48 26 CONECT 49 26 CONECT 50 26 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$