D0Q1BE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.066 -2.042 -1.394 1.00 0.00 C HETATM 2 C UNL 1 2.433 -3.391 -1.543 1.00 0.00 C HETATM 3 C UNL 1 3.810 -3.821 -1.593 1.00 0.00 C HETATM 4 C UNL 1 4.660 -2.777 -1.223 1.00 0.00 C HETATM 5 C UNL 1 4.348 -1.554 -1.857 1.00 0.00 C HETATM 6 C UNL 1 3.059 -1.087 -1.525 1.00 0.00 C HETATM 7 C UNL 1 4.419 -2.627 0.448 1.00 0.00 C HETATM 8 C UNL 1 4.166 -5.268 -1.815 1.00 0.00 C HETATM 9 N UNL 1 3.007 -6.001 -1.915 1.00 0.00 N HETATM 10 C UNL 1 3.029 -7.303 -2.207 1.00 0.00 C HETATM 11 N UNL 1 4.100 -8.066 -2.394 1.00 0.00 N HETATM 12 C UNL 1 5.241 -7.365 -2.270 1.00 0.00 C HETATM 13 C UNL 1 5.406 -6.009 -1.985 1.00 0.00 C HETATM 14 N UNL 1 6.482 -7.974 -2.406 1.00 0.00 N HETATM 15 C UNL 1 7.544 -7.109 -2.245 1.00 0.00 C HETATM 16 C UNL 1 6.887 -5.879 -1.988 1.00 0.00 C HETATM 17 C UNL 1 8.983 -7.648 -2.357 1.00 0.00 C HETATM 18 C UNL 1 9.355 -9.018 -2.543 1.00 0.00 C HETATM 19 C UNL 1 10.730 -9.508 -2.545 1.00 0.00 C HETATM 20 C UNL 1 11.811 -8.648 -2.354 1.00 0.00 C HETATM 21 C UNL 1 11.439 -7.280 -2.276 1.00 0.00 C HETATM 22 C UNL 1 10.084 -6.798 -2.271 1.00 0.00 C HETATM 23 C UNL 1 13.325 -8.982 -2.271 1.00 0.00 C HETATM 24 N UNL 1 13.928 -10.292 -1.983 1.00 0.00 N HETATM 25 C UNL 1 14.511 -11.142 -3.025 1.00 0.00 C HETATM 26 C UNL 1 15.452 -12.328 -2.539 1.00 0.00 C HETATM 27 N UNL 1 15.145 -12.905 -1.212 1.00 0.00 N HETATM 28 C UNL 1 14.883 -11.812 -0.266 1.00 0.00 C HETATM 29 C UNL 1 13.660 -10.974 -0.732 1.00 0.00 C HETATM 30 N UNL 1 4.866 -0.970 -3.123 1.00 0.00 N HETATM 31 O UNL 1 5.530 -2.174 1.199 1.00 0.00 O HETATM 32 O UNL 1 5.120 1.494 -5.624 1.00 0.00 O HETATM 33 C UNL 1 5.486 0.390 -6.427 1.00 0.00 C HETATM 34 C UNL 1 5.720 -0.984 -5.945 1.00 0.00 C HETATM 35 C UNL 1 5.484 -1.701 -4.355 1.00 0.00 C HETATM 36 C UNL 1 5.510 0.819 -7.775 1.00 0.00 C HETATM 37 C UNL 1 5.822 -0.045 -8.805 1.00 0.00 C HETATM 38 C UNL 1 6.196 -1.346 -8.379 1.00 0.00 C HETATM 39 C UNL 1 6.142 -1.813 -7.007 1.00 0.00 C HETATM 40 C UNL 1 16.206 -13.792 -0.725 1.00 0.00 C HETATM 41 C UNL 1 5.677 0.353 -10.277 1.00 0.00 C HETATM 42 C UNL 1 5.418 1.756 -10.811 1.00 0.00 C HETATM 43 C UNL 1 6.774 1.143 -10.957 1.00 0.00 C HETATM 44 O UNL 1 5.810 -2.894 -4.265 1.00 0.00 O HETATM 45 C UNL 1 4.531 0.511 -3.167 1.00 0.00 C HETATM 46 C UNL 1 5.247 0.973 -4.353 1.00 0.00 C HETATM 47 H UNL 1 1.031 -1.737 -1.251 1.00 0.00 H HETATM 48 H UNL 1 1.623 -4.118 -1.574 1.00 0.00 H HETATM 49 H UNL 1 2.765 -0.046 -1.544 1.00 0.00 H HETATM 50 H UNL 1 4.107 -3.598 0.859 1.00 0.00 H HETATM 51 H UNL 1 3.586 -1.943 0.685 1.00 0.00 H HETATM 52 H UNL 1 2.057 -7.769 -2.313 1.00 0.00 H HETATM 53 H UNL 1 6.522 -8.937 -2.619 1.00 0.00 H HETATM 54 H UNL 1 7.413 -4.947 -1.813 1.00 0.00 H HETATM 55 H UNL 1 8.588 -9.777 -2.692 1.00 0.00 H HETATM 56 H UNL 1 10.913 -10.572 -2.695 1.00 0.00 H HETATM 57 H UNL 1 12.230 -6.532 -2.205 1.00 0.00 H HETATM 58 H UNL 1 9.927 -5.725 -2.196 1.00 0.00 H HETATM 59 H UNL 1 13.690 -8.347 -1.449 1.00 0.00 H HETATM 60 H UNL 1 13.806 -8.566 -3.167 1.00 0.00 H HETATM 61 H UNL 1 15.120 -10.534 -3.708 1.00 0.00 H HETATM 62 H UNL 1 13.699 -11.582 -3.610 1.00 0.00 H HETATM 63 H UNL 1 16.491 -11.966 -2.545 1.00 0.00 H HETATM 64 H UNL 1 15.402 -13.133 -3.284 1.00 0.00 H HETATM 65 H UNL 1 15.772 -11.173 -0.154 1.00 0.00 H HETATM 66 H UNL 1 14.660 -12.226 0.725 1.00 0.00 H HETATM 67 H UNL 1 13.415 -10.263 0.062 1.00 0.00 H HETATM 68 H UNL 1 12.801 -11.641 -0.866 1.00 0.00 H HETATM 69 H UNL 1 5.288 -2.346 2.131 1.00 0.00 H HETATM 70 H UNL 1 5.241 1.847 -8.001 1.00 0.00 H HETATM 71 H UNL 1 6.528 -2.044 -9.151 1.00 0.00 H HETATM 72 H UNL 1 6.417 -2.851 -6.818 1.00 0.00 H HETATM 73 H UNL 1 16.271 -14.697 -1.341 1.00 0.00 H HETATM 74 H UNL 1 15.990 -14.137 0.295 1.00 0.00 H HETATM 75 H UNL 1 17.194 -13.316 -0.707 1.00 0.00 H HETATM 76 H UNL 1 5.140 -0.390 -10.866 1.00 0.00 H HETATM 77 H UNL 1 5.330 2.623 -10.168 1.00 0.00 H HETATM 78 H UNL 1 4.842 1.868 -11.730 1.00 0.00 H HETATM 79 H UNL 1 7.562 1.611 -10.377 1.00 0.00 H HETATM 80 H UNL 1 7.087 0.819 -11.943 1.00 0.00 H HETATM 81 H UNL 1 4.906 1.002 -2.266 1.00 0.00 H HETATM 82 H UNL 1 3.446 0.680 -3.271 1.00 0.00 H HETATM 83 H UNL 1 4.499 0.259 -4.726 1.00 0.00 H HETATM 84 H UNL 1 6.295 0.672 -4.210 1.00 0.00 H CONECT 1 2 6 47 CONECT 2 1 3 48 CONECT 3 2 4 8 CONECT 4 3 5 7 CONECT 5 4 6 30 CONECT 6 5 1 49 CONECT 7 4 31 50 51 CONECT 8 3 9 13 CONECT 9 8 10 CONECT 10 9 11 52 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 8 16 CONECT 14 12 15 53 CONECT 15 14 16 17 CONECT 16 15 13 54 CONECT 17 15 18 22 CONECT 18 17 19 55 CONECT 19 18 20 56 CONECT 20 19 21 23 CONECT 21 20 22 57 CONECT 22 21 17 58 CONECT 23 20 24 59 60 CONECT 24 23 25 29 CONECT 25 24 26 61 62 CONECT 26 25 27 63 64 CONECT 27 26 28 40 CONECT 28 27 29 65 66 CONECT 29 28 24 67 68 CONECT 30 5 35 45 CONECT 31 7 69 CONECT 32 33 46 CONECT 33 32 34 36 CONECT 34 33 35 39 CONECT 35 34 30 44 CONECT 36 33 37 70 CONECT 37 36 38 41 CONECT 38 37 39 71 CONECT 39 38 34 72 CONECT 40 27 73 74 75 CONECT 41 37 42 43 76 CONECT 42 41 43 77 78 CONECT 43 42 41 79 80 CONECT 44 35 CONECT 45 30 46 81 82 CONECT 46 45 32 83 84 CONECT 47 1 CONECT 48 2 CONECT 49 6 CONECT 50 7 CONECT 51 7 CONECT 52 10 CONECT 53 14 CONECT 54 16 CONECT 55 18 CONECT 56 19 CONECT 57 21 CONECT 58 22 CONECT 59 23 CONECT 60 23 CONECT 61 25 CONECT 62 25 CONECT 63 26 CONECT 64 26 CONECT 65 28 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 31 CONECT 70 36 CONECT 71 38 CONECT 72 39 CONECT 73 40 CONECT 74 40 CONECT 75 40 CONECT 76 41 CONECT 77 42 CONECT 78 42 CONECT 79 43 CONECT 80 43 CONECT 81 45 CONECT 82 45 CONECT 83 46 CONECT 84 46 MASTER 0 0 0 0 0 0 0 0 84 0 84 0 END M END $$$$