D0BA5J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.073 -0.764 0.102 1.00 0.00 C HETATM 2 C UNL 1 2.084 -0.038 0.742 1.00 0.00 C HETATM 3 N UNL 1 1.820 0.920 1.667 1.00 0.00 N HETATM 4 C UNL 1 0.520 1.224 1.815 1.00 0.00 C HETATM 5 C UNL 1 -0.497 0.759 0.988 1.00 0.00 C HETATM 6 C UNL 1 -0.244 -0.216 -0.013 1.00 0.00 C HETATM 7 S UNL 1 1.611 -2.457 0.669 1.00 0.00 S HETATM 8 C UNL 1 3.274 -1.929 0.984 1.00 0.00 C HETATM 9 C UNL 1 3.326 -0.642 0.459 1.00 0.00 C HETATM 10 C UNL 1 4.433 -2.785 1.400 1.00 0.00 C HETATM 11 C UNL 1 4.395 -3.961 2.149 1.00 0.00 C HETATM 12 C UNL 1 5.605 -4.664 2.447 1.00 0.00 C HETATM 13 C UNL 1 6.843 -4.188 2.006 1.00 0.00 C HETATM 14 C UNL 1 6.774 -2.952 1.358 1.00 0.00 C HETATM 15 N UNL 1 5.635 -2.265 1.042 1.00 0.00 N HETATM 16 C UNL 1 8.230 -4.785 2.274 1.00 0.00 C HETATM 17 O UNL 1 -0.872 0.268 -1.218 1.00 0.00 O HETATM 18 C UNL 1 -1.341 -0.509 -2.253 1.00 0.00 C HETATM 19 C UNL 1 -1.891 0.168 -3.370 1.00 0.00 C HETATM 20 C UNL 1 -2.371 -0.492 -4.531 1.00 0.00 C HETATM 21 C UNL 1 -2.303 -1.873 -4.605 1.00 0.00 C HETATM 22 C UNL 1 -1.808 -2.552 -3.465 1.00 0.00 C HETATM 23 C UNL 1 -1.350 -1.889 -2.299 1.00 0.00 C HETATM 24 N UNL 1 8.441 -6.254 2.443 1.00 0.00 N HETATM 25 C UNL 1 8.002 -7.043 1.279 1.00 0.00 C HETATM 26 C UNL 1 8.182 -8.541 1.576 1.00 0.00 C HETATM 27 C UNL 1 9.655 -8.884 1.760 1.00 0.00 C HETATM 28 C UNL 1 10.249 -8.014 2.868 1.00 0.00 C HETATM 29 C UNL 1 9.904 -6.520 2.657 1.00 0.00 C HETATM 30 N UNL 1 -2.626 -2.688 -5.719 1.00 0.00 N HETATM 31 C UNL 1 -3.188 -2.593 -6.954 1.00 0.00 C HETATM 32 N UNL 1 -3.796 -1.443 -7.365 1.00 0.00 N HETATM 33 O UNL 1 -3.144 -3.597 -7.669 1.00 0.00 O HETATM 34 C UNL 1 -4.631 -1.433 -8.553 1.00 0.00 C HETATM 35 C UNL 1 -4.135 -1.358 -9.975 1.00 0.00 C HETATM 36 C UNL 1 -4.751 -0.149 -9.337 1.00 0.00 C HETATM 37 C UNL 1 11.766 -8.220 2.910 1.00 0.00 C HETATM 38 O UNL 1 12.466 -8.041 1.909 1.00 0.00 O HETATM 39 C UNL 1 12.373 -8.711 4.218 1.00 0.00 C HETATM 40 C UNL 1 13.817 -8.242 4.425 1.00 0.00 C HETATM 41 C UNL 1 13.912 -6.714 4.446 1.00 0.00 C HETATM 42 N UNL 1 15.289 -6.283 4.682 1.00 0.00 N HETATM 43 C UNL 1 15.370 -4.826 4.657 1.00 0.00 C HETATM 44 F UNL 1 -1.989 1.509 -3.340 1.00 0.00 F HETATM 45 H UNL 1 0.315 1.952 2.597 1.00 0.00 H HETATM 46 H UNL 1 -1.454 1.277 1.024 1.00 0.00 H HETATM 47 H UNL 1 3.912 -0.498 -0.444 1.00 0.00 H HETATM 48 H UNL 1 3.453 -4.342 2.532 1.00 0.00 H HETATM 49 H UNL 1 5.559 -5.579 3.034 1.00 0.00 H HETATM 50 H UNL 1 7.685 -2.434 1.059 1.00 0.00 H HETATM 51 H UNL 1 8.578 -4.308 3.200 1.00 0.00 H HETATM 52 H UNL 1 8.897 -4.440 1.470 1.00 0.00 H HETATM 53 H UNL 1 -2.736 0.121 -5.347 1.00 0.00 H HETATM 54 H UNL 1 -1.762 -3.641 -3.464 1.00 0.00 H HETATM 55 H UNL 1 -1.018 -2.477 -1.452 1.00 0.00 H HETATM 56 H UNL 1 8.572 -6.776 0.377 1.00 0.00 H HETATM 57 H UNL 1 6.945 -6.869 1.064 1.00 0.00 H HETATM 58 H UNL 1 7.761 -9.147 0.767 1.00 0.00 H HETATM 59 H UNL 1 7.636 -8.804 2.492 1.00 0.00 H HETATM 60 H UNL 1 10.187 -8.729 0.812 1.00 0.00 H HETATM 61 H UNL 1 9.776 -9.946 2.008 1.00 0.00 H HETATM 62 H UNL 1 9.832 -8.343 3.826 1.00 0.00 H HETATM 63 H UNL 1 10.487 -6.133 1.807 1.00 0.00 H HETATM 64 H UNL 1 10.249 -5.970 3.542 1.00 0.00 H HETATM 65 H UNL 1 -2.356 -3.677 -5.612 1.00 0.00 H HETATM 66 H UNL 1 -4.121 -0.867 -6.598 1.00 0.00 H HETATM 67 H UNL 1 -5.530 -2.033 -8.423 1.00 0.00 H HETATM 68 H UNL 1 -4.719 -1.834 -10.763 1.00 0.00 H HETATM 69 H UNL 1 -3.070 -1.340 -10.168 1.00 0.00 H HETATM 70 H UNL 1 -5.745 0.157 -9.645 1.00 0.00 H HETATM 71 H UNL 1 -4.092 0.676 -9.091 1.00 0.00 H HETATM 72 H UNL 1 12.337 -9.807 4.219 1.00 0.00 H HETATM 73 H UNL 1 11.760 -8.354 5.052 1.00 0.00 H HETATM 74 H UNL 1 14.464 -8.651 3.638 1.00 0.00 H HETATM 75 H UNL 1 14.185 -8.646 5.378 1.00 0.00 H HETATM 76 H UNL 1 13.261 -6.326 5.239 1.00 0.00 H HETATM 77 H UNL 1 13.561 -6.304 3.493 1.00 0.00 H HETATM 78 H UNL 1 15.888 -6.660 3.946 1.00 0.00 H HETATM 79 H UNL 1 14.761 -4.386 5.454 1.00 0.00 H HETATM 80 H UNL 1 15.039 -4.423 3.694 1.00 0.00 H HETATM 81 H UNL 1 16.405 -4.511 4.817 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 9 CONECT 3 2 4 CONECT 4 3 5 45 CONECT 5 4 6 46 CONECT 6 5 1 17 CONECT 7 1 8 CONECT 8 7 9 10 CONECT 9 8 2 47 CONECT 10 8 11 15 CONECT 11 10 12 48 CONECT 12 11 13 49 CONECT 13 12 14 16 CONECT 14 13 15 50 CONECT 15 14 10 CONECT 16 13 24 51 52 CONECT 17 6 18 CONECT 18 17 19 23 CONECT 19 18 20 44 CONECT 20 19 21 53 CONECT 21 20 22 30 CONECT 22 21 23 54 CONECT 23 22 18 55 CONECT 24 16 25 29 CONECT 25 24 26 56 57 CONECT 26 25 27 58 59 CONECT 27 26 28 60 61 CONECT 28 27 29 37 62 CONECT 29 28 24 63 64 CONECT 30 21 31 65 CONECT 31 30 32 33 CONECT 32 31 34 66 CONECT 33 31 CONECT 34 32 35 36 67 CONECT 35 34 36 68 69 CONECT 36 35 34 70 71 CONECT 37 28 38 39 CONECT 38 37 CONECT 39 37 40 72 73 CONECT 40 39 41 74 75 CONECT 41 40 42 76 77 CONECT 42 41 43 78 CONECT 43 42 79 80 81 CONECT 44 19 CONECT 45 4 CONECT 46 5 CONECT 47 9 CONECT 48 11 CONECT 49 12 CONECT 50 14 CONECT 51 16 CONECT 52 16 CONECT 53 20 CONECT 54 22 CONECT 55 23 CONECT 56 25 CONECT 57 25 CONECT 58 26 CONECT 59 26 CONECT 60 27 CONECT 61 27 CONECT 62 28 CONECT 63 29 CONECT 64 29 CONECT 65 30 CONECT 66 32 CONECT 67 34 CONECT 68 35 CONECT 69 35 CONECT 70 36 CONECT 71 36 CONECT 72 39 CONECT 73 39 CONECT 74 40 CONECT 75 40 CONECT 76 41 CONECT 77 41 CONECT 78 42 CONECT 79 43 CONECT 80 43 CONECT 81 43 MASTER 0 0 0 0 0 0 0 0 81 0 81 0 END M END $$$$