D0M2XJ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 -0.546 0.616 -2.389 1.00 0.00 O HETATM 2 C UNL 1 -1.245 0.322 -1.258 1.00 0.00 C HETATM 3 C UNL 1 -2.461 0.914 -0.969 1.00 0.00 C HETATM 4 C UNL 1 -2.839 1.039 0.372 1.00 0.00 C HETATM 5 C UNL 1 -1.841 0.810 1.331 1.00 0.00 C HETATM 6 C UNL 1 -0.769 -0.031 0.971 1.00 0.00 C HETATM 7 C UNL 1 -0.809 -0.559 -0.308 1.00 0.00 C HETATM 8 N UNL 1 -4.071 1.422 0.728 1.00 0.00 N HETATM 9 C UNL 1 -4.256 1.684 2.028 1.00 0.00 C HETATM 10 N UNL 1 -3.295 1.814 2.950 1.00 0.00 N HETATM 11 C UNL 1 -2.074 1.391 2.587 1.00 0.00 C HETATM 12 O UNL 1 -0.944 1.686 3.373 1.00 0.00 O HETATM 13 C UNL 1 -0.989 1.990 4.723 1.00 0.00 C HETATM 14 C UNL 1 0.251 2.224 5.352 1.00 0.00 C HETATM 15 C UNL 1 0.376 2.284 6.771 1.00 0.00 C HETATM 16 C UNL 1 -0.754 2.176 7.579 1.00 0.00 C HETATM 17 C UNL 1 -1.996 2.125 6.934 1.00 0.00 C HETATM 18 C UNL 1 -2.111 2.003 5.537 1.00 0.00 C HETATM 19 O UNL 1 -1.268 -1.888 -0.342 1.00 0.00 O HETATM 20 C UNL 1 -2.029 -2.289 -1.507 1.00 0.00 C HETATM 21 C UNL 1 0.893 0.419 -2.325 1.00 0.00 C HETATM 22 C UNL 1 1.385 -0.647 -3.338 1.00 0.00 C HETATM 23 C UNL 1 0.546 -0.698 -4.618 1.00 0.00 C HETATM 24 C UNL 1 0.913 -1.885 -5.524 1.00 0.00 C HETATM 25 N UNL 1 0.703 -3.172 -4.842 1.00 0.00 N HETATM 26 C UNL 1 1.528 -3.219 -3.609 1.00 0.00 C HETATM 27 C UNL 1 1.479 -2.020 -2.668 1.00 0.00 C HETATM 28 C UNL 1 1.182 -4.339 -5.654 1.00 0.00 C HETATM 29 C UNL 1 0.575 -4.582 -7.046 1.00 0.00 C HETATM 30 N UNL 1 -0.745 -4.357 -7.209 1.00 0.00 N HETATM 31 O UNL 1 1.291 -5.085 -7.926 1.00 0.00 O HETATM 32 C UNL 1 -1.449 -4.806 -8.398 1.00 0.00 C HETATM 33 N UNL 1 -0.793 2.095 8.998 1.00 0.00 N HETATM 34 C UNL 1 0.212 1.844 9.931 1.00 0.00 C HETATM 35 C UNL 1 -0.203 1.938 11.417 1.00 0.00 C HETATM 36 O UNL 1 1.389 1.628 9.660 1.00 0.00 O HETATM 37 C UNL 1 0.468 1.017 12.470 1.00 0.00 C HETATM 38 N UNL 1 1.848 0.982 12.470 1.00 0.00 N HETATM 39 O UNL 1 -0.248 0.402 13.260 1.00 0.00 O HETATM 40 C UNL 1 2.697 0.261 13.359 1.00 0.00 C HETATM 41 C UNL 1 2.273 -0.385 14.532 1.00 0.00 C HETATM 42 C UNL 1 3.176 -1.118 15.322 1.00 0.00 C HETATM 43 C UNL 1 4.506 -1.209 14.938 1.00 0.00 C HETATM 44 C UNL 1 4.959 -0.552 13.806 1.00 0.00 C HETATM 45 C UNL 1 4.058 0.193 13.030 1.00 0.00 C HETATM 46 F UNL 1 5.367 -1.931 15.675 1.00 0.00 F HETATM 47 C UNL 1 -1.604 2.394 11.908 1.00 0.00 C HETATM 48 C UNL 1 -0.530 3.414 11.776 1.00 0.00 C HETATM 49 H UNL 1 -3.083 1.326 -1.754 1.00 0.00 H HETATM 50 H UNL 1 -0.093 -0.428 1.717 1.00 0.00 H HETATM 51 H UNL 1 -5.280 1.807 2.365 1.00 0.00 H HETATM 52 H UNL 1 1.148 2.328 4.740 1.00 0.00 H HETATM 53 H UNL 1 1.367 2.413 7.202 1.00 0.00 H HETATM 54 H UNL 1 -2.918 2.113 7.508 1.00 0.00 H HETATM 55 H UNL 1 -3.112 1.880 5.146 1.00 0.00 H HETATM 56 H UNL 1 -1.936 -3.375 -1.609 1.00 0.00 H HETATM 57 H UNL 1 -1.657 -1.851 -2.438 1.00 0.00 H HETATM 58 H UNL 1 -3.100 -2.063 -1.399 1.00 0.00 H HETATM 59 H UNL 1 1.275 0.201 -1.316 1.00 0.00 H HETATM 60 H UNL 1 1.356 1.383 -2.579 1.00 0.00 H HETATM 61 H UNL 1 2.412 -0.372 -3.621 1.00 0.00 H HETATM 62 H UNL 1 0.693 0.239 -5.170 1.00 0.00 H HETATM 63 H UNL 1 -0.522 -0.754 -4.377 1.00 0.00 H HETATM 64 H UNL 1 1.952 -1.779 -5.860 1.00 0.00 H HETATM 65 H UNL 1 0.272 -1.826 -6.410 1.00 0.00 H HETATM 66 H UNL 1 2.584 -3.378 -3.868 1.00 0.00 H HETATM 67 H UNL 1 1.217 -4.098 -3.028 1.00 0.00 H HETATM 68 H UNL 1 0.662 -2.166 -1.965 1.00 0.00 H HETATM 69 H UNL 1 2.395 -2.037 -2.059 1.00 0.00 H HETATM 70 H UNL 1 0.968 -5.256 -5.090 1.00 0.00 H HETATM 71 H UNL 1 2.268 -4.271 -5.797 1.00 0.00 H HETATM 72 H UNL 1 -1.270 -4.014 -6.429 1.00 0.00 H HETATM 73 H UNL 1 -0.753 -5.036 -9.216 1.00 0.00 H HETATM 74 H UNL 1 -2.138 -4.018 -8.712 1.00 0.00 H HETATM 75 H UNL 1 -2.008 -5.706 -8.147 1.00 0.00 H HETATM 76 H UNL 1 -1.726 2.150 9.385 1.00 0.00 H HETATM 77 H UNL 1 2.293 1.410 11.663 1.00 0.00 H HETATM 78 H UNL 1 1.242 -0.333 14.872 1.00 0.00 H HETATM 79 H UNL 1 2.847 -1.619 16.230 1.00 0.00 H HETATM 80 H UNL 1 6.005 -0.626 13.526 1.00 0.00 H HETATM 81 H UNL 1 4.440 0.708 12.152 1.00 0.00 H HETATM 82 H UNL 1 -1.904 2.174 12.932 1.00 0.00 H HETATM 83 H UNL 1 -2.452 2.370 11.240 1.00 0.00 H HETATM 84 H UNL 1 -0.072 3.836 12.660 1.00 0.00 H HETATM 85 H UNL 1 -0.676 4.138 10.976 1.00 0.00 H CONECT 1 2 21 CONECT 2 1 3 7 CONECT 3 2 4 49 CONECT 4 3 5 8 CONECT 5 4 6 11 CONECT 6 5 7 50 CONECT 7 6 2 19 CONECT 8 4 9 CONECT 9 8 10 51 CONECT 10 9 11 CONECT 11 10 5 12 CONECT 12 11 13 CONECT 13 12 14 18 CONECT 14 13 15 52 CONECT 15 14 16 53 CONECT 16 15 17 33 CONECT 17 16 18 54 CONECT 18 17 13 55 CONECT 19 7 20 CONECT 20 19 56 57 58 CONECT 21 1 22 59 60 CONECT 22 21 23 27 61 CONECT 23 22 24 62 63 CONECT 24 23 25 64 65 CONECT 25 24 26 28 CONECT 26 25 27 66 67 CONECT 27 26 22 68 69 CONECT 28 25 29 70 71 CONECT 29 28 30 31 CONECT 30 29 32 72 CONECT 31 29 CONECT 32 30 73 74 75 CONECT 33 16 34 76 CONECT 34 33 35 36 CONECT 35 34 37 47 48 CONECT 36 34 CONECT 37 35 38 39 CONECT 38 37 40 77 CONECT 39 37 CONECT 40 38 41 45 CONECT 41 40 42 78 CONECT 42 41 43 79 CONECT 43 42 44 46 CONECT 44 43 45 80 CONECT 45 44 40 81 CONECT 46 43 CONECT 47 35 48 82 83 CONECT 48 47 35 84 85 CONECT 49 3 CONECT 50 6 CONECT 51 9 CONECT 52 14 CONECT 53 15 CONECT 54 17 CONECT 55 18 CONECT 56 20 CONECT 57 20 CONECT 58 20 CONECT 59 21 CONECT 60 21 CONECT 61 22 CONECT 62 23 CONECT 63 23 CONECT 64 24 CONECT 65 24 CONECT 66 26 CONECT 67 26 CONECT 68 27 CONECT 69 27 CONECT 70 28 CONECT 71 28 CONECT 72 30 CONECT 73 32 CONECT 74 32 CONECT 75 32 CONECT 76 33 CONECT 77 38 CONECT 78 41 CONECT 79 42 CONECT 80 44 CONECT 81 45 CONECT 82 47 CONECT 83 47 CONECT 84 48 CONECT 85 48 MASTER 0 0 0 0 0 0 0 0 85 0 85 0 END M END $$$$