D0F9RK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.286 2.427 1.927 1.00 0.00 C HETATM 2 C UNL 1 -0.348 3.829 1.266 1.00 0.00 C HETATM 3 N UNL 1 0.431 3.850 0.201 1.00 0.00 N HETATM 4 C UNL 1 1.241 2.582 0.294 1.00 0.00 C HETATM 5 N UNL 1 0.308 1.635 0.939 1.00 0.00 N HETATM 6 O UNL 1 -0.758 2.111 2.996 1.00 0.00 O HETATM 7 C UNL 1 -0.736 0.909 0.113 1.00 0.00 C HETATM 8 C UNL 1 -1.458 -0.165 0.966 1.00 0.00 C HETATM 9 C UNL 1 -1.661 1.910 -0.664 1.00 0.00 C HETATM 10 C UNL 1 -2.696 1.397 -1.652 1.00 0.00 C HETATM 11 N UNL 1 -1.241 4.837 1.661 1.00 0.00 N HETATM 12 C UNL 1 -2.198 4.679 2.782 1.00 0.00 C HETATM 13 C UNL 1 -2.705 6.029 3.338 1.00 0.00 C HETATM 14 C UNL 1 -3.037 7.065 2.268 1.00 0.00 C HETATM 15 C UNL 1 -1.891 7.148 1.273 1.00 0.00 C HETATM 16 C UNL 1 -1.692 5.781 0.637 1.00 0.00 C HETATM 17 C UNL 1 1.942 2.072 -1.025 1.00 0.00 C HETATM 18 C UNL 1 3.443 2.506 -1.409 1.00 0.00 C HETATM 19 C UNL 1 4.256 3.416 -0.435 1.00 0.00 C HETATM 20 C UNL 1 3.239 4.074 0.487 1.00 0.00 C HETATM 21 C UNL 1 2.428 2.984 1.206 1.00 0.00 C HETATM 22 C UNL 1 5.310 4.458 -1.032 1.00 0.00 C HETATM 23 C UNL 1 4.712 5.377 -2.112 1.00 0.00 C HETATM 24 C UNL 1 5.862 5.367 0.103 1.00 0.00 C HETATM 25 C UNL 1 6.554 3.768 -1.641 1.00 0.00 C HETATM 26 C UNL 1 -2.778 -0.081 1.422 1.00 0.00 C HETATM 27 C UNL 1 -3.378 -1.134 2.151 1.00 0.00 C HETATM 28 C UNL 1 -2.648 -2.285 2.479 1.00 0.00 C HETATM 29 C UNL 1 -1.319 -2.363 2.072 1.00 0.00 C HETATM 30 C UNL 1 -0.733 -1.317 1.325 1.00 0.00 C HETATM 31 C UNL 1 -3.330 -3.449 3.135 1.00 0.00 C HETATM 32 O UNL 1 -4.510 -3.688 2.899 1.00 0.00 O HETATM 33 N UNL 1 -2.558 -4.239 3.969 1.00 0.00 N HETATM 34 C UNL 1 -3.056 -5.477 4.557 1.00 0.00 C HETATM 35 C UNL 1 -2.703 -6.682 3.692 1.00 0.00 C HETATM 36 C UNL 1 -3.318 -7.917 4.298 1.00 0.00 C HETATM 37 O UNL 1 -2.751 -8.616 5.115 1.00 0.00 O HETATM 38 O UNL 1 -4.569 -8.179 3.872 1.00 0.00 O HETATM 39 H UNL 1 -0.184 0.348 -0.652 1.00 0.00 H HETATM 40 H UNL 1 -1.017 2.562 -1.266 1.00 0.00 H HETATM 41 H UNL 1 -2.195 2.557 0.039 1.00 0.00 H HETATM 42 H UNL 1 -2.241 0.820 -2.459 1.00 0.00 H HETATM 43 H UNL 1 -3.189 2.266 -2.112 1.00 0.00 H HETATM 44 H UNL 1 -3.481 0.809 -1.174 1.00 0.00 H HETATM 45 H UNL 1 -1.736 4.157 3.626 1.00 0.00 H HETATM 46 H UNL 1 -3.056 4.083 2.449 1.00 0.00 H HETATM 47 H UNL 1 -3.590 5.866 3.967 1.00 0.00 H HETATM 48 H UNL 1 -1.938 6.455 3.997 1.00 0.00 H HETATM 49 H UNL 1 -3.210 8.046 2.727 1.00 0.00 H HETATM 50 H UNL 1 -3.965 6.791 1.750 1.00 0.00 H HETATM 51 H UNL 1 -0.974 7.456 1.793 1.00 0.00 H HETATM 52 H UNL 1 -2.106 7.898 0.506 1.00 0.00 H HETATM 53 H UNL 1 -0.972 5.870 -0.182 1.00 0.00 H HETATM 54 H UNL 1 -2.634 5.420 0.201 1.00 0.00 H HETATM 55 H UNL 1 1.301 2.246 -1.897 1.00 0.00 H HETATM 56 H UNL 1 2.009 0.976 -0.937 1.00 0.00 H HETATM 57 H UNL 1 3.427 2.931 -2.418 1.00 0.00 H HETATM 58 H UNL 1 4.025 1.575 -1.524 1.00 0.00 H HETATM 59 H UNL 1 4.859 2.740 0.192 1.00 0.00 H HETATM 60 H UNL 1 2.604 4.733 -0.121 1.00 0.00 H HETATM 61 H UNL 1 3.698 4.707 1.246 1.00 0.00 H HETATM 62 H UNL 1 2.096 3.385 2.168 1.00 0.00 H HETATM 63 H UNL 1 3.048 2.107 1.438 1.00 0.00 H HETATM 64 H UNL 1 3.777 5.837 -1.783 1.00 0.00 H HETATM 65 H UNL 1 4.524 4.836 -3.045 1.00 0.00 H HETATM 66 H UNL 1 5.405 6.194 -2.356 1.00 0.00 H HETATM 67 H UNL 1 5.098 6.050 0.491 1.00 0.00 H HETATM 68 H UNL 1 6.683 6.004 -0.247 1.00 0.00 H HETATM 69 H UNL 1 6.246 4.766 0.936 1.00 0.00 H HETATM 70 H UNL 1 6.310 3.172 -2.524 1.00 0.00 H HETATM 71 H UNL 1 7.056 3.125 -0.910 1.00 0.00 H HETATM 72 H UNL 1 7.295 4.519 -1.956 1.00 0.00 H HETATM 73 H UNL 1 -3.384 0.797 1.216 1.00 0.00 H HETATM 74 H UNL 1 -4.419 -1.052 2.460 1.00 0.00 H HETATM 75 H UNL 1 -0.715 -3.240 2.293 1.00 0.00 H HETATM 76 H UNL 1 0.308 -1.420 1.021 1.00 0.00 H HETATM 77 H UNL 1 -1.635 -3.925 4.239 1.00 0.00 H HETATM 78 H UNL 1 -4.142 -5.412 4.686 1.00 0.00 H HETATM 79 H UNL 1 -2.613 -5.579 5.553 1.00 0.00 H HETATM 80 H UNL 1 -1.618 -6.825 3.644 1.00 0.00 H HETATM 81 H UNL 1 -3.047 -6.561 2.664 1.00 0.00 H HETATM 82 H UNL 1 -4.909 -7.541 3.220 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 11 CONECT 3 2 4 CONECT 4 3 5 17 21 CONECT 5 4 1 7 CONECT 6 1 CONECT 7 5 8 9 39 CONECT 8 7 26 30 CONECT 9 7 10 40 41 CONECT 10 9 42 43 44 CONECT 11 2 12 16 CONECT 12 11 13 45 46 CONECT 13 12 14 47 48 CONECT 14 13 15 49 50 CONECT 15 14 16 51 52 CONECT 16 15 11 53 54 CONECT 17 4 18 55 56 CONECT 18 17 19 57 58 CONECT 19 18 20 22 59 CONECT 20 19 21 60 61 CONECT 21 20 4 62 63 CONECT 22 19 23 24 25 CONECT 23 22 64 65 66 CONECT 24 22 67 68 69 CONECT 25 22 70 71 72 CONECT 26 8 27 73 CONECT 27 26 28 74 CONECT 28 27 29 31 CONECT 29 28 30 75 CONECT 30 29 8 76 CONECT 31 28 32 33 CONECT 32 31 CONECT 33 31 34 77 CONECT 34 33 35 78 79 CONECT 35 34 36 80 81 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 82 CONECT 39 7 CONECT 40 9 CONECT 41 9 CONECT 42 10 CONECT 43 10 CONECT 44 10 CONECT 45 12 CONECT 46 12 CONECT 47 13 CONECT 48 13 CONECT 49 14 CONECT 50 14 CONECT 51 15 CONECT 52 15 CONECT 53 16 CONECT 54 16 CONECT 55 17 CONECT 56 17 CONECT 57 18 CONECT 58 18 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 21 CONECT 63 21 CONECT 64 23 CONECT 65 23 CONECT 66 23 CONECT 67 24 CONECT 68 24 CONECT 69 24 CONECT 70 25 CONECT 71 25 CONECT 72 25 CONECT 73 26 CONECT 74 27 CONECT 75 29 CONECT 76 30 CONECT 77 33 CONECT 78 34 CONECT 79 34 CONECT 80 35 CONECT 81 35 CONECT 82 38 MASTER 0 0 0 0 0 0 0 0 82 0 82 0 END M END $$$$