D0G9CR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.219 -2.839 -6.137 1.00 0.00 C HETATM 2 N UNL 1 0.363 -1.752 -5.705 1.00 0.00 N HETATM 3 C UNL 1 1.020 -0.510 -5.273 1.00 0.00 C HETATM 4 C UNL 1 0.259 0.051 -4.030 1.00 0.00 C HETATM 5 N UNL 1 0.933 -0.040 -2.820 1.00 0.00 N HETATM 6 C UNL 1 0.437 0.617 -1.550 1.00 0.00 C HETATM 7 C UNL 1 -0.561 -0.423 -0.793 1.00 0.00 C HETATM 8 O UNL 1 -0.862 0.549 -4.118 1.00 0.00 O HETATM 9 O UNL 1 -0.767 -1.544 -1.280 1.00 0.00 O HETATM 10 C UNL 1 0.902 0.514 -6.414 1.00 0.00 C HETATM 11 N UNL 1 -0.976 -0.172 0.534 1.00 0.00 N HETATM 12 C UNL 1 -1.275 1.310 0.847 1.00 0.00 C HETATM 13 C UNL 1 -1.273 2.550 -0.113 1.00 0.00 C HETATM 14 N UNL 1 -0.219 3.198 -0.940 1.00 0.00 N HETATM 15 C UNL 1 0.274 2.158 -1.881 1.00 0.00 C HETATM 16 C UNL 1 -2.379 1.290 1.668 1.00 0.00 C HETATM 17 C UNL 1 -3.519 1.440 0.894 1.00 0.00 C HETATM 18 C UNL 1 -3.626 2.685 0.289 1.00 0.00 C HETATM 19 C UNL 1 -2.510 3.108 -0.416 1.00 0.00 C HETATM 20 C UNL 1 -0.126 4.718 -1.659 1.00 0.00 C HETATM 21 O UNL 1 0.611 4.729 -2.674 1.00 0.00 O HETATM 22 C UNL 1 -2.007 -2.616 2.601 1.00 0.00 C HETATM 23 C UNL 1 -3.217 -3.153 2.066 1.00 0.00 C HETATM 24 C UNL 1 -4.016 -2.051 1.868 1.00 0.00 C HETATM 25 C UNL 1 -4.085 -1.305 3.111 1.00 0.00 C HETATM 26 C UNL 1 -3.292 -1.667 4.241 1.00 0.00 C HETATM 27 C UNL 1 -2.178 -2.515 4.007 1.00 0.00 C HETATM 28 C UNL 1 -4.138 -4.290 2.363 1.00 0.00 C HETATM 29 C UNL 1 -5.458 -4.395 1.864 1.00 0.00 C HETATM 30 C UNL 1 -5.826 -3.406 0.975 1.00 0.00 C HETATM 31 C UNL 1 -5.041 -2.254 0.948 1.00 0.00 C HETATM 32 O UNL 1 -2.370 -3.690 4.821 1.00 0.00 O HETATM 33 C UNL 1 -1.390 -4.072 5.802 1.00 0.00 C HETATM 34 BR UNL 1 -7.271 -3.610 -0.219 1.00 0.00 Br HETATM 35 C UNL 1 3.730 12.088 3.548 1.00 0.00 C HETATM 36 N UNL 1 3.211 12.278 2.203 1.00 0.00 N HETATM 37 C UNL 1 2.216 11.307 1.679 1.00 0.00 C HETATM 38 C UNL 1 0.725 11.384 2.216 1.00 0.00 C HETATM 39 N UNL 1 0.231 12.592 2.673 1.00 0.00 N HETATM 40 C UNL 1 -1.272 13.039 2.672 1.00 0.00 C HETATM 41 C UNL 1 -1.333 14.493 3.189 1.00 0.00 C HETATM 42 O UNL 1 -0.025 10.414 2.081 1.00 0.00 O HETATM 43 O UNL 1 -2.081 14.897 4.071 1.00 0.00 O HETATM 44 C UNL 1 2.725 9.867 1.546 1.00 0.00 C HETATM 45 N UNL 1 -0.461 15.333 2.409 1.00 0.00 N HETATM 46 C UNL 1 0.078 14.739 0.960 1.00 0.00 C HETATM 47 C UNL 1 -0.401 13.440 0.033 1.00 0.00 C HETATM 48 N UNL 1 -1.461 12.223 0.316 1.00 0.00 N HETATM 49 C UNL 1 -2.182 12.326 1.645 1.00 0.00 C HETATM 50 C UNL 1 1.338 15.272 0.696 1.00 0.00 C HETATM 51 C UNL 1 2.157 14.638 -0.241 1.00 0.00 C HETATM 52 C UNL 1 1.690 13.634 -1.112 1.00 0.00 C HETATM 53 C UNL 1 0.396 13.110 -1.052 1.00 0.00 C HETATM 54 C UNL 1 -2.036 11.079 -0.598 1.00 0.00 C HETATM 55 O UNL 1 -3.279 11.074 -0.693 1.00 0.00 O HETATM 56 C UNL 1 -1.385 9.536 -0.933 1.00 0.00 C HETATM 57 C UNL 1 0.319 17.980 4.234 1.00 0.00 C HETATM 58 C UNL 1 -0.548 18.354 5.350 1.00 0.00 C HETATM 59 C UNL 1 -1.765 18.827 4.945 1.00 0.00 C HETATM 60 C UNL 1 -1.623 19.761 3.898 1.00 0.00 C HETATM 61 C UNL 1 -0.319 20.075 3.421 1.00 0.00 C HETATM 62 C UNL 1 0.708 19.144 3.584 1.00 0.00 C HETATM 63 C UNL 1 -0.238 19.052 6.599 1.00 0.00 C HETATM 64 C UNL 1 -1.233 19.515 7.495 1.00 0.00 C HETATM 65 C UNL 1 -2.554 19.287 7.158 1.00 0.00 C HETATM 66 C UNL 1 -2.841 18.934 5.843 1.00 0.00 C HETATM 67 O UNL 1 1.988 19.220 3.134 1.00 0.00 O HETATM 68 C UNL 1 2.399 20.436 2.510 1.00 0.00 C HETATM 69 BR UNL 1 -3.959 19.666 8.362 1.00 0.00 Br HETATM 70 C UNL 1 -0.520 9.065 -1.934 1.00 0.00 C HETATM 71 C UNL 1 -0.200 7.533 -2.172 1.00 0.00 C HETATM 72 C UNL 1 -0.672 6.363 -1.393 1.00 0.00 C HETATM 73 C UNL 1 -1.654 6.875 -0.559 1.00 0.00 C HETATM 74 C UNL 1 -2.092 8.361 -0.521 1.00 0.00 C HETATM 75 C UNL 1 -0.140 16.836 2.946 1.00 0.00 C HETATM 76 C UNL 1 -1.012 -1.497 1.708 1.00 0.00 C HETATM 77 H UNL 1 0.728 -3.345 -6.976 1.00 0.00 H HETATM 78 H UNL 1 1.345 -3.584 -5.344 1.00 0.00 H HETATM 79 H UNL 1 2.209 -2.525 -6.483 1.00 0.00 H HETATM 80 H UNL 1 -0.310 -2.070 -5.005 1.00 0.00 H HETATM 81 H UNL 1 2.078 -0.648 -5.017 1.00 0.00 H HETATM 82 H UNL 1 1.668 -0.729 -2.743 1.00 0.00 H HETATM 83 H UNL 1 1.316 0.570 -0.892 1.00 0.00 H HETATM 84 H UNL 1 -0.146 0.716 -6.672 1.00 0.00 H HETATM 85 H UNL 1 1.407 0.174 -7.326 1.00 0.00 H HETATM 86 H UNL 1 1.345 1.475 -6.126 1.00 0.00 H HETATM 87 H UNL 1 1.268 2.491 -2.216 1.00 0.00 H HETATM 88 H UNL 1 -0.363 2.285 -2.762 1.00 0.00 H HETATM 89 H UNL 1 -2.328 1.986 2.517 1.00 0.00 H HETATM 90 H UNL 1 -3.594 0.638 0.115 1.00 0.00 H HETATM 91 H UNL 1 -4.004 3.496 0.928 1.00 0.00 H HETATM 92 H UNL 1 -2.632 3.664 -1.343 1.00 0.00 H HETATM 93 H UNL 1 -4.968 -0.669 3.257 1.00 0.00 H HETATM 94 H UNL 1 -3.752 -1.620 5.217 1.00 0.00 H HETATM 95 H UNL 1 -3.856 -5.080 3.094 1.00 0.00 H HETATM 96 H UNL 1 -6.134 -5.221 2.093 1.00 0.00 H HETATM 97 H UNL 1 -4.937 -1.745 -0.008 1.00 0.00 H HETATM 98 H UNL 1 -1.862 -4.775 6.516 1.00 0.00 H HETATM 99 H UNL 1 -1.005 -3.244 6.402 1.00 0.00 H HETATM 100 H UNL 1 -0.577 -4.640 5.337 1.00 0.00 H HETATM 101 H UNL 1 4.713 11.595 3.536 1.00 0.00 H HETATM 102 H UNL 1 3.063 11.538 4.212 1.00 0.00 H HETATM 103 H UNL 1 3.904 13.082 3.977 1.00 0.00 H HETATM 104 H UNL 1 4.028 12.197 1.586 1.00 0.00 H HETATM 105 H UNL 1 2.119 11.629 0.638 1.00 0.00 H HETATM 106 H UNL 1 0.922 13.338 2.696 1.00 0.00 H HETATM 107 H UNL 1 -1.372 13.670 1.826 1.00 0.00 H HETATM 108 H UNL 1 2.590 9.290 2.464 1.00 0.00 H HETATM 109 H UNL 1 3.782 9.826 1.256 1.00 0.00 H HETATM 110 H UNL 1 2.170 9.357 0.747 1.00 0.00 H HETATM 111 H UNL 1 -2.472 11.331 1.983 1.00 0.00 H HETATM 112 H UNL 1 -3.125 12.885 1.478 1.00 0.00 H HETATM 113 H UNL 1 1.789 16.016 1.349 1.00 0.00 H HETATM 114 H UNL 1 3.220 14.880 -0.247 1.00 0.00 H HETATM 115 H UNL 1 2.400 13.168 -1.794 1.00 0.00 H HETATM 116 H UNL 1 0.117 12.312 -1.730 1.00 0.00 H HETATM 117 H UNL 1 -2.453 20.408 3.647 1.00 0.00 H HETATM 118 H UNL 1 -0.153 21.053 2.979 1.00 0.00 H HETATM 119 H UNL 1 0.780 19.428 6.781 1.00 0.00 H HETATM 120 H UNL 1 -0.992 20.104 8.389 1.00 0.00 H HETATM 121 H UNL 1 -3.863 18.961 5.488 1.00 0.00 H HETATM 122 H UNL 1 3.355 20.246 2.010 1.00 0.00 H HETATM 123 H UNL 1 2.562 21.229 3.249 1.00 0.00 H HETATM 124 H UNL 1 1.693 20.758 1.740 1.00 0.00 H HETATM 125 H UNL 1 -0.118 9.781 -2.660 1.00 0.00 H HETATM 126 H UNL 1 0.431 7.354 -3.054 1.00 0.00 H HETATM 127 H UNL 1 -2.186 6.213 0.115 1.00 0.00 H HETATM 128 H UNL 1 -3.174 8.444 -0.782 1.00 0.00 H HETATM 129 H UNL 1 -1.197 17.078 3.092 1.00 0.00 H HETATM 130 H UNL 1 0.419 16.246 3.690 1.00 0.00 H HETATM 131 H UNL 1 -0.639 -2.289 1.038 1.00 0.00 H HETATM 132 H UNL 1 -0.183 -1.297 2.392 1.00 0.00 H CONECT 1 2 77 78 79 CONECT 2 1 3 80 CONECT 3 10 4 2 81 CONECT 4 5 8 3 CONECT 5 4 6 82 CONECT 6 5 7 15 83 CONECT 7 6 9 11 CONECT 8 4 CONECT 9 7 CONECT 10 3 84 85 86 CONECT 11 7 12 76 CONECT 12 11 13 16 CONECT 13 12 14 19 CONECT 14 13 15 20 CONECT 15 14 6 87 88 CONECT 16 12 17 89 CONECT 17 16 18 90 CONECT 18 17 19 91 CONECT 19 18 13 92 CONECT 20 14 21 72 CONECT 21 20 CONECT 22 23 27 76 CONECT 23 22 24 28 CONECT 24 23 25 31 CONECT 25 24 26 93 CONECT 26 25 27 94 CONECT 27 26 22 32 CONECT 28 23 29 95 CONECT 29 28 30 96 CONECT 30 29 31 34 CONECT 31 30 24 97 CONECT 32 27 33 CONECT 33 32 98 99 100 CONECT 34 30 CONECT 35 36 101 102 103 CONECT 36 35 37 104 CONECT 37 36 38 44 105 CONECT 38 37 39 42 CONECT 39 38 40 106 CONECT 40 41 49 39 107 CONECT 41 40 43 45 CONECT 42 38 CONECT 43 41 CONECT 44 37 108 109 110 CONECT 45 41 46 75 CONECT 46 45 47 50 CONECT 47 46 48 53 CONECT 48 47 49 54 CONECT 49 48 40 111 112 CONECT 50 46 51 113 CONECT 51 50 52 114 CONECT 52 51 53 115 CONECT 53 52 47 116 CONECT 54 48 55 56 CONECT 55 54 CONECT 56 54 70 74 CONECT 57 58 62 75 CONECT 58 57 59 63 CONECT 59 58 60 66 CONECT 60 59 61 117 CONECT 61 60 62 118 CONECT 62 61 57 67 CONECT 63 58 64 119 CONECT 64 63 65 120 CONECT 65 64 66 69 CONECT 66 65 59 121 CONECT 67 62 68 CONECT 68 67 122 123 124 CONECT 69 65 CONECT 70 56 71 125 CONECT 71 70 72 126 CONECT 72 71 73 20 CONECT 73 72 74 127 CONECT 74 73 56 128 CONECT 75 57 45 129 130 CONECT 76 11 22 131 132 CONECT 77 1 CONECT 78 1 CONECT 79 1 CONECT 80 2 CONECT 81 3 CONECT 82 5 CONECT 83 6 CONECT 84 10 CONECT 85 10 CONECT 86 10 CONECT 87 15 CONECT 88 15 CONECT 89 16 CONECT 90 17 CONECT 91 18 CONECT 92 19 CONECT 93 25 CONECT 94 26 CONECT 95 28 CONECT 96 29 CONECT 97 31 CONECT 98 33 CONECT 99 33 CONECT 100 33 CONECT 101 35 CONECT 102 35 CONECT 103 35 CONECT 104 36 CONECT 105 37 CONECT 106 39 CONECT 107 40 CONECT 108 44 CONECT 109 44 CONECT 110 44 CONECT 111 49 CONECT 112 49 CONECT 113 50 CONECT 114 51 CONECT 115 52 CONECT 116 53 CONECT 117 60 CONECT 118 61 CONECT 119 63 CONECT 120 64 CONECT 121 66 CONECT 122 68 CONECT 123 68 CONECT 124 68 CONECT 125 70 CONECT 126 71 CONECT 127 73 CONECT 128 74 CONECT 129 75 CONECT 130 75 CONECT 131 76 CONECT 132 76 MASTER 0 0 0 0 0 0 0 0 132 0 132 0 END M END $$$$