D00VXV AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -5.220 2.193 -3.560 1.00 0.00 C HETATM 2 N UNL 1 -4.417 1.030 -3.123 1.00 0.00 N HETATM 3 C UNL 1 -2.974 1.393 -3.093 1.00 0.00 C HETATM 4 C UNL 1 -2.001 0.190 -2.866 1.00 0.00 C HETATM 5 N UNL 1 -2.068 -0.602 -1.725 1.00 0.00 N HETATM 6 C UNL 1 -0.989 -1.683 -1.299 1.00 0.00 C HETATM 7 C UNL 1 0.318 -0.809 -0.560 1.00 0.00 C HETATM 8 N UNL 1 1.263 -1.330 0.416 1.00 0.00 N HETATM 9 O UNL 1 -1.160 0.019 -3.750 1.00 0.00 O HETATM 10 O UNL 1 0.416 0.405 -0.822 1.00 0.00 O HETATM 11 C UNL 1 -0.791 -2.643 -2.577 1.00 0.00 C HETATM 12 C UNL 1 -0.775 -4.224 -2.548 1.00 0.00 C HETATM 13 C UNL 1 0.448 -2.205 -3.343 1.00 0.00 C HETATM 14 C UNL 1 -2.641 2.541 -2.152 1.00 0.00 C HETATM 15 C UNL 1 2.307 -0.338 1.189 1.00 0.00 C HETATM 16 C UNL 1 1.586 -0.287 2.541 1.00 0.00 C HETATM 17 C UNL 1 1.233 -1.757 2.790 1.00 0.00 C HETATM 18 C UNL 1 0.696 -2.242 1.412 1.00 0.00 C HETATM 19 C UNL 1 -0.441 -4.893 -3.943 1.00 0.00 C HETATM 20 C UNL 1 0.656 -4.185 -4.743 1.00 0.00 C HETATM 21 C UNL 1 0.353 -2.702 -4.779 1.00 0.00 C HETATM 22 C UNL 1 6.527 -8.531 12.381 1.00 0.00 C HETATM 23 N UNL 1 5.646 -7.389 12.117 1.00 0.00 N HETATM 24 C UNL 1 6.098 -6.592 10.946 1.00 0.00 C HETATM 25 C UNL 1 6.194 -7.526 9.659 1.00 0.00 C HETATM 26 N UNL 1 5.269 -8.594 9.656 1.00 0.00 N HETATM 27 C UNL 1 4.427 -9.025 8.501 1.00 0.00 C HETATM 28 C UNL 1 3.351 -10.093 8.122 1.00 0.00 C HETATM 29 O UNL 1 6.957 -7.263 8.731 1.00 0.00 O HETATM 30 O UNL 1 3.540 -11.294 8.268 1.00 0.00 O HETATM 31 C UNL 1 7.331 -5.725 11.273 1.00 0.00 C HETATM 32 N UNL 1 2.116 -9.497 7.593 1.00 0.00 N HETATM 33 C UNL 1 1.991 -7.942 7.681 1.00 0.00 C HETATM 34 C UNL 1 3.086 -6.922 7.505 1.00 0.00 C HETATM 35 N UNL 1 4.432 -7.187 6.960 1.00 0.00 N HETATM 36 C UNL 1 4.833 -8.565 7.112 1.00 0.00 C HETATM 37 C UNL 1 0.807 -7.513 8.331 1.00 0.00 C HETATM 38 C UNL 1 0.725 -6.274 8.976 1.00 0.00 C HETATM 39 C UNL 1 1.786 -5.387 8.928 1.00 0.00 C HETATM 40 C UNL 1 2.941 -5.722 8.221 1.00 0.00 C HETATM 41 C UNL 1 5.505 -6.384 6.437 1.00 0.00 C HETATM 42 O UNL 1 6.535 -6.906 5.982 1.00 0.00 O HETATM 43 C UNL 1 -0.076 -11.736 7.401 1.00 0.00 C HETATM 44 C UNL 1 0.502 -12.794 6.660 1.00 0.00 C HETATM 45 C UNL 1 1.501 -13.413 7.322 1.00 0.00 C HETATM 46 C UNL 1 1.193 -13.711 8.679 1.00 0.00 C HETATM 47 C UNL 1 -0.037 -13.252 9.208 1.00 0.00 C HETATM 48 C UNL 1 -0.727 -12.239 8.536 1.00 0.00 C HETATM 49 C UNL 1 -0.153 -13.756 5.826 1.00 0.00 C HETATM 50 C UNL 1 0.530 -14.873 5.300 1.00 0.00 C HETATM 51 C UNL 1 1.882 -15.008 5.606 1.00 0.00 C HETATM 52 C UNL 1 2.397 -14.254 6.645 1.00 0.00 C HETATM 53 O UNL 1 -1.827 -11.725 9.149 1.00 0.00 O HETATM 54 C UNL 1 -2.676 -10.920 8.330 1.00 0.00 C HETATM 55 BR UNL 1 2.945 -16.327 4.776 1.00 0.00 Br HETATM 56 C UNL 1 0.720 -10.283 7.788 1.00 0.00 C HETATM 57 C UNL 1 5.456 -4.948 6.119 1.00 0.00 C HETATM 58 C UNL 1 5.197 -3.872 6.936 1.00 0.00 C HETATM 59 C UNL 1 4.484 -2.833 6.349 1.00 0.00 C HETATM 60 C UNL 1 4.083 -2.959 5.002 1.00 0.00 C HETATM 61 C UNL 1 4.771 -3.843 4.169 1.00 0.00 C HETATM 62 C UNL 1 5.668 -4.680 4.774 1.00 0.00 C HETATM 63 C UNL 1 2.881 -2.254 4.555 1.00 0.00 C HETATM 64 O UNL 1 2.283 -1.542 5.348 1.00 0.00 O HETATM 65 N UNL 1 2.431 -2.475 3.276 1.00 0.00 N HETATM 66 C UNL 1 3.938 -0.702 1.582 1.00 0.00 C HETATM 67 N UNL 1 4.898 0.194 2.271 1.00 0.00 N HETATM 68 O UNL 1 4.350 -1.850 1.350 1.00 0.00 O HETATM 69 C UNL 1 4.884 1.653 2.081 1.00 0.00 C HETATM 70 C UNL 1 5.560 2.900 2.824 1.00 0.00 C HETATM 71 C UNL 1 5.238 4.169 2.217 1.00 0.00 C HETATM 72 C UNL 1 4.992 4.299 0.729 1.00 0.00 C HETATM 73 C UNL 1 4.234 3.092 0.251 1.00 0.00 C HETATM 74 C UNL 1 5.094 1.890 0.582 1.00 0.00 C HETATM 75 C UNL 1 6.223 3.020 4.057 1.00 0.00 C HETATM 76 C UNL 1 6.265 4.283 4.730 1.00 0.00 C HETATM 77 C UNL 1 5.586 5.400 4.248 1.00 0.00 C HETATM 78 C UNL 1 5.169 5.370 2.940 1.00 0.00 C HETATM 79 H UNL 1 -6.259 1.894 -3.735 1.00 0.00 H HETATM 80 H UNL 1 -4.847 2.625 -4.498 1.00 0.00 H HETATM 81 H UNL 1 -5.244 2.980 -2.799 1.00 0.00 H HETATM 82 H UNL 1 -4.531 0.316 -3.848 1.00 0.00 H HETATM 83 H UNL 1 -2.730 1.737 -4.112 1.00 0.00 H HETATM 84 H UNL 1 -2.953 -0.580 -1.233 1.00 0.00 H HETATM 85 H UNL 1 -1.510 -2.251 -0.516 1.00 0.00 H HETATM 86 H UNL 1 -1.687 -2.470 -3.200 1.00 0.00 H HETATM 87 H UNL 1 -1.754 -4.622 -2.245 1.00 0.00 H HETATM 88 H UNL 1 -0.040 -4.584 -1.823 1.00 0.00 H HETATM 89 H UNL 1 1.331 -2.615 -2.842 1.00 0.00 H HETATM 90 H UNL 1 0.593 -1.130 -3.331 1.00 0.00 H HETATM 91 H UNL 1 -3.053 2.377 -1.153 1.00 0.00 H HETATM 92 H UNL 1 -3.036 3.489 -2.536 1.00 0.00 H HETATM 93 H UNL 1 -1.557 2.665 -2.062 1.00 0.00 H HETATM 94 H UNL 1 2.304 0.626 0.681 1.00 0.00 H HETATM 95 H UNL 1 0.656 0.287 2.456 1.00 0.00 H HETATM 96 H UNL 1 2.187 0.164 3.340 1.00 0.00 H HETATM 97 H UNL 1 0.457 -1.872 3.545 1.00 0.00 H HETATM 98 H UNL 1 -0.395 -2.130 1.418 1.00 0.00 H HETATM 99 H UNL 1 0.939 -3.279 1.163 1.00 0.00 H HETATM 100 H UNL 1 -0.150 -5.944 -3.808 1.00 0.00 H HETATM 101 H UNL 1 -1.344 -4.918 -4.571 1.00 0.00 H HETATM 102 H UNL 1 0.737 -4.581 -5.763 1.00 0.00 H HETATM 103 H UNL 1 1.630 -4.351 -4.266 1.00 0.00 H HETATM 104 H UNL 1 -0.650 -2.533 -5.202 1.00 0.00 H HETATM 105 H UNL 1 1.059 -2.163 -5.413 1.00 0.00 H HETATM 106 H UNL 1 6.101 -9.105 13.214 1.00 0.00 H HETATM 107 H UNL 1 7.536 -8.228 12.633 1.00 0.00 H HETATM 108 H UNL 1 6.587 -9.229 11.543 1.00 0.00 H HETATM 109 H UNL 1 5.673 -6.782 12.940 1.00 0.00 H HETATM 110 H UNL 1 5.294 -5.879 10.730 1.00 0.00 H HETATM 111 H UNL 1 4.723 -8.512 10.516 1.00 0.00 H HETATM 112 H UNL 1 3.664 -8.410 8.964 1.00 0.00 H HETATM 113 H UNL 1 8.264 -6.281 11.226 1.00 0.00 H HETATM 114 H UNL 1 7.248 -5.291 12.274 1.00 0.00 H HETATM 115 H UNL 1 7.416 -4.869 10.582 1.00 0.00 H HETATM 116 H UNL 1 5.908 -8.742 6.967 1.00 0.00 H HETATM 117 H UNL 1 4.364 -9.095 6.266 1.00 0.00 H HETATM 118 H UNL 1 -0.044 -8.170 8.481 1.00 0.00 H HETATM 119 H UNL 1 -0.138 -6.041 9.598 1.00 0.00 H HETATM 120 H UNL 1 1.739 -4.450 9.481 1.00 0.00 H HETATM 121 H UNL 1 3.802 -5.106 8.428 1.00 0.00 H HETATM 122 H UNL 1 1.765 -14.456 9.228 1.00 0.00 H HETATM 123 H UNL 1 -0.433 -13.674 10.127 1.00 0.00 H HETATM 124 H UNL 1 -1.243 -13.733 5.698 1.00 0.00 H HETATM 125 H UNL 1 0.018 -15.629 4.709 1.00 0.00 H HETATM 126 H UNL 1 3.393 -14.449 7.042 1.00 0.00 H HETATM 127 H UNL 1 -3.599 -10.732 8.886 1.00 0.00 H HETATM 128 H UNL 1 -2.949 -11.416 7.392 1.00 0.00 H HETATM 129 H UNL 1 -2.204 -9.951 8.138 1.00 0.00 H HETATM 130 H UNL 1 1.216 -10.873 8.548 1.00 0.00 H HETATM 131 H UNL 1 0.523 -10.070 6.739 1.00 0.00 H HETATM 132 H UNL 1 5.400 -3.885 7.998 1.00 0.00 H HETATM 133 H UNL 1 4.130 -2.004 6.958 1.00 0.00 H HETATM 134 H UNL 1 4.612 -3.936 3.109 1.00 0.00 H HETATM 135 H UNL 1 6.713 -4.515 4.479 1.00 0.00 H HETATM 136 H UNL 1 3.011 -2.868 2.602 1.00 0.00 H HETATM 137 H UNL 1 5.789 -0.246 2.381 1.00 0.00 H HETATM 138 H UNL 1 3.848 1.852 2.378 1.00 0.00 H HETATM 139 H UNL 1 5.965 4.377 0.223 1.00 0.00 H HETATM 140 H UNL 1 4.431 5.207 0.493 1.00 0.00 H HETATM 141 H UNL 1 4.001 3.141 -0.809 1.00 0.00 H HETATM 142 H UNL 1 3.278 3.036 0.793 1.00 0.00 H HETATM 143 H UNL 1 6.159 2.054 0.351 1.00 0.00 H HETATM 144 H UNL 1 4.789 1.043 -0.033 1.00 0.00 H HETATM 145 H UNL 1 6.718 2.190 4.552 1.00 0.00 H HETATM 146 H UNL 1 6.815 4.417 5.664 1.00 0.00 H HETATM 147 H UNL 1 5.435 6.302 4.839 1.00 0.00 H HETATM 148 H UNL 1 4.782 6.275 2.472 1.00 0.00 H CONECT 1 2 79 80 81 CONECT 2 1 3 82 CONECT 3 14 4 2 83 CONECT 4 5 9 3 CONECT 5 4 6 84 CONECT 6 11 7 5 85 CONECT 7 8 10 6 CONECT 8 7 15 18 CONECT 9 4 CONECT 10 7 CONECT 11 6 12 13 86 CONECT 12 11 19 87 88 CONECT 13 11 21 89 90 CONECT 14 3 91 92 93 CONECT 15 8 16 66 94 CONECT 16 15 17 95 96 CONECT 17 16 18 65 97 CONECT 18 17 8 98 99 CONECT 19 12 20 100 101 CONECT 20 19 21 102 103 CONECT 21 20 13 104 105 CONECT 22 23 106 107 108 CONECT 23 22 24 109 CONECT 24 23 25 31 110 CONECT 25 24 26 29 CONECT 26 25 27 111 CONECT 27 28 36 26 112 CONECT 28 27 30 32 CONECT 29 25 CONECT 30 28 CONECT 31 24 113 114 115 CONECT 32 28 33 56 CONECT 33 32 34 37 CONECT 34 33 35 40 CONECT 35 34 36 41 CONECT 36 35 27 116 117 CONECT 37 33 38 118 CONECT 38 37 39 119 CONECT 39 38 40 120 CONECT 40 39 34 121 CONECT 41 35 42 57 CONECT 42 41 CONECT 43 44 48 56 CONECT 44 43 45 49 CONECT 45 44 46 52 CONECT 46 45 47 122 CONECT 47 46 48 123 CONECT 48 47 43 53 CONECT 49 44 50 124 CONECT 50 49 51 125 CONECT 51 50 52 55 CONECT 52 51 45 126 CONECT 53 48 54 CONECT 54 53 127 128 129 CONECT 55 51 CONECT 56 32 43 130 131 CONECT 57 41 58 62 CONECT 58 57 59 132 CONECT 59 58 60 133 CONECT 60 59 61 63 CONECT 61 60 62 134 CONECT 62 61 57 135 CONECT 63 60 64 65 CONECT 64 63 CONECT 65 63 17 136 CONECT 66 67 68 15 CONECT 67 66 69 137 CONECT 68 66 CONECT 69 70 74 67 138 CONECT 70 69 71 75 CONECT 71 70 72 78 CONECT 72 71 73 139 140 CONECT 73 72 74 141 142 CONECT 74 73 69 143 144 CONECT 75 70 76 145 CONECT 76 75 77 146 CONECT 77 76 78 147 CONECT 78 77 71 148 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 3 CONECT 84 5 CONECT 85 6 CONECT 86 11 CONECT 87 12 CONECT 88 12 CONECT 89 13 CONECT 90 13 CONECT 91 14 CONECT 92 14 CONECT 93 14 CONECT 94 15 CONECT 95 16 CONECT 96 16 CONECT 97 17 CONECT 98 18 CONECT 99 18 CONECT 100 19 CONECT 101 19 CONECT 102 20 CONECT 103 20 CONECT 104 21 CONECT 105 21 CONECT 106 22 CONECT 107 22 CONECT 108 22 CONECT 109 23 CONECT 110 24 CONECT 111 26 CONECT 112 27 CONECT 113 31 CONECT 114 31 CONECT 115 31 CONECT 116 36 CONECT 117 36 CONECT 118 37 CONECT 119 38 CONECT 120 39 CONECT 121 40 CONECT 122 46 CONECT 123 47 CONECT 124 49 CONECT 125 50 CONECT 126 52 CONECT 127 54 CONECT 128 54 CONECT 129 54 CONECT 130 56 CONECT 131 56 CONECT 132 58 CONECT 133 59 CONECT 134 61 CONECT 135 62 CONECT 136 65 CONECT 137 67 CONECT 138 69 CONECT 139 72 CONECT 140 72 CONECT 141 73 CONECT 142 73 CONECT 143 74 CONECT 144 74 CONECT 145 75 CONECT 146 76 CONECT 147 77 CONECT 148 78 MASTER 0 0 0 0 0 0 0 0 148 0 148 0 END M END $$$$