D0ET9U AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.563 7.901 1.090 1.00 0.00 C HETATM 2 C UNL 1 2.668 6.774 1.904 1.00 0.00 C HETATM 3 C UNL 1 3.414 5.661 1.488 1.00 0.00 C HETATM 4 C UNL 1 4.072 5.667 0.254 1.00 0.00 C HETATM 5 C UNL 1 3.935 6.810 -0.565 1.00 0.00 C HETATM 6 C UNL 1 3.190 7.914 -0.152 1.00 0.00 C HETATM 7 C UNL 1 5.099 4.625 -0.164 1.00 0.00 C HETATM 8 N UNL 1 5.004 3.250 0.367 1.00 0.00 N HETATM 9 N UNL 1 6.294 2.736 0.592 1.00 0.00 N HETATM 10 C UNL 1 7.098 3.759 0.563 1.00 0.00 C HETATM 11 C UNL 1 6.441 5.085 0.399 1.00 0.00 C HETATM 12 C UNL 1 4.016 2.330 -0.025 1.00 0.00 C HETATM 13 C UNL 1 3.014 2.605 -0.973 1.00 0.00 C HETATM 14 C UNL 1 2.026 1.659 -1.296 1.00 0.00 C HETATM 15 C UNL 1 2.007 0.424 -0.663 1.00 0.00 C HETATM 16 C UNL 1 2.984 0.111 0.272 1.00 0.00 C HETATM 17 C UNL 1 3.978 1.054 0.576 1.00 0.00 C HETATM 18 CL UNL 1 0.772 -0.718 -1.030 1.00 0.00 Cl HETATM 19 C UNL 1 8.613 3.737 0.757 1.00 0.00 C HETATM 20 N UNL 1 9.415 2.785 0.166 1.00 0.00 N HETATM 21 N UNL 1 9.026 4.745 1.464 1.00 0.00 N HETATM 22 S UNL 1 10.602 5.075 1.583 1.00 0.00 S HETATM 23 C UNL 1 10.719 6.152 3.001 1.00 0.00 C HETATM 24 O UNL 1 11.335 3.871 1.921 1.00 0.00 O HETATM 25 O UNL 1 10.992 5.859 0.424 1.00 0.00 O HETATM 26 C UNL 1 10.371 5.669 4.270 1.00 0.00 C HETATM 27 C UNL 1 10.407 6.529 5.378 1.00 0.00 C HETATM 28 C UNL 1 10.779 7.860 5.202 1.00 0.00 C HETATM 29 C UNL 1 11.161 8.318 3.937 1.00 0.00 C HETATM 30 C UNL 1 11.144 7.469 2.835 1.00 0.00 C HETATM 31 O UNL 1 10.731 8.845 6.136 1.00 0.00 O HETATM 32 C UNL 1 10.870 8.517 7.513 1.00 0.00 C HETATM 33 C UNL 1 10.927 9.853 8.241 1.00 0.00 C HETATM 34 O UNL 1 10.759 10.953 7.728 1.00 0.00 O HETATM 35 C UNL 1 9.001 1.589 -0.522 1.00 0.00 C HETATM 36 O UNL 1 11.276 9.659 9.547 1.00 0.00 O HETATM 37 C UNL 1 13.279 10.888 9.970 1.00 0.00 C HETATM 38 C UNL 1 11.783 10.829 10.213 1.00 0.00 C HETATM 39 H UNL 1 2.012 8.775 1.429 1.00 0.00 H HETATM 40 H UNL 1 2.191 6.776 2.882 1.00 0.00 H HETATM 41 H UNL 1 3.511 4.811 2.165 1.00 0.00 H HETATM 42 H UNL 1 4.461 6.868 -1.514 1.00 0.00 H HETATM 43 H UNL 1 3.129 8.797 -0.783 1.00 0.00 H HETATM 44 H UNL 1 5.158 4.574 -1.260 1.00 0.00 H HETATM 45 H UNL 1 6.981 5.753 -0.273 1.00 0.00 H HETATM 46 H UNL 1 6.360 5.536 1.395 1.00 0.00 H HETATM 47 H UNL 1 2.983 3.559 -1.493 1.00 0.00 H HETATM 48 H UNL 1 1.272 1.901 -2.045 1.00 0.00 H HETATM 49 H UNL 1 2.982 -0.849 0.777 1.00 0.00 H HETATM 50 H UNL 1 4.731 0.796 1.318 1.00 0.00 H HETATM 51 H UNL 1 10.357 2.714 0.554 1.00 0.00 H HETATM 52 H UNL 1 10.055 4.635 4.392 1.00 0.00 H HETATM 53 H UNL 1 10.100 6.145 6.345 1.00 0.00 H HETATM 54 H UNL 1 11.460 9.357 3.814 1.00 0.00 H HETATM 55 H UNL 1 11.439 7.853 1.861 1.00 0.00 H HETATM 56 H UNL 1 11.818 7.994 7.678 1.00 0.00 H HETATM 57 H UNL 1 10.014 7.944 7.880 1.00 0.00 H HETATM 58 H UNL 1 8.151 1.765 -1.180 1.00 0.00 H HETATM 59 H UNL 1 8.766 0.793 0.192 1.00 0.00 H HETATM 60 H UNL 1 9.832 1.241 -1.145 1.00 0.00 H HETATM 61 H UNL 1 13.731 11.752 10.463 1.00 0.00 H HETATM 62 H UNL 1 13.501 10.938 8.898 1.00 0.00 H HETATM 63 H UNL 1 13.752 9.974 10.344 1.00 0.00 H HETATM 64 H UNL 1 11.568 10.735 11.277 1.00 0.00 H HETATM 65 H UNL 1 11.288 11.751 9.864 1.00 0.00 H CONECT 1 2 6 39 CONECT 2 1 3 40 CONECT 3 2 4 41 CONECT 4 3 5 7 CONECT 5 4 6 42 CONECT 6 5 1 43 CONECT 7 8 11 4 44 CONECT 8 7 9 12 CONECT 9 8 10 CONECT 10 9 11 19 CONECT 11 10 7 45 46 CONECT 12 8 13 17 CONECT 13 12 14 47 CONECT 14 13 15 48 CONECT 15 14 16 18 CONECT 16 15 17 49 CONECT 17 16 12 50 CONECT 18 15 CONECT 19 10 20 21 CONECT 20 19 35 51 CONECT 21 19 22 CONECT 22 21 23 24 25 CONECT 23 22 26 30 CONECT 24 22 CONECT 25 22 CONECT 26 23 27 52 CONECT 27 26 28 53 CONECT 28 27 29 31 CONECT 29 28 30 54 CONECT 30 29 23 55 CONECT 31 28 32 CONECT 32 31 33 56 57 CONECT 33 32 34 36 CONECT 34 33 CONECT 35 20 58 59 60 CONECT 36 33 38 CONECT 37 38 61 62 63 CONECT 38 36 37 64 65 CONECT 39 1 CONECT 40 2 CONECT 41 3 CONECT 42 5 CONECT 43 6 CONECT 44 7 CONECT 45 11 CONECT 46 11 CONECT 47 13 CONECT 48 14 CONECT 49 16 CONECT 50 17 CONECT 51 20 CONECT 52 26 CONECT 53 27 CONECT 54 29 CONECT 55 30 CONECT 56 32 CONECT 57 32 CONECT 58 35 CONECT 59 35 CONECT 60 35 CONECT 61 37 CONECT 62 37 CONECT 63 37 CONECT 64 38 CONECT 65 38 MASTER 0 0 0 0 0 0 0 0 65 0 65 0 END M END $$$$