COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 C LIG 1 -8.781 0.756 -0.768 1.00 0.00 C HETATM 2 C LIG 1 -10.180 0.385 -0.586 1.00 0.00 C HETATM 3 H LIG 1 -11.033 0.896 -1.002 1.00 0.00 H HETATM 4 C LIG 1 -10.189 -0.693 0.239 1.00 0.00 C HETATM 5 H LIG 1 -11.053 -1.227 0.593 1.00 0.00 H HETATM 6 C LIG 1 -8.795 -1.021 0.513 1.00 0.00 C HETATM 7 C LIG 1 -8.235 -2.088 1.202 1.00 0.00 C HETATM 8 C LIG 1 -6.863 -2.474 1.082 1.00 0.00 C HETATM 9 C LIG 1 -6.074 -3.353 1.855 1.00 0.00 C HETATM 10 H LIG 1 -6.391 -3.847 2.757 1.00 0.00 H HETATM 11 C LIG 1 -4.815 -3.421 1.273 1.00 0.00 C HETATM 12 H LIG 1 -3.959 -3.941 1.667 1.00 0.00 H HETATM 13 C LIG 1 -4.821 -2.615 0.111 1.00 0.00 C HETATM 14 C LIG 1 -3.771 -2.378 -0.856 1.00 0.00 C HETATM 15 C LIG 1 -2.715 -3.258 -1.024 1.00 0.00 C HETATM 16 C LIG 1 -2.613 -4.626 -0.548 1.00 0.00 C HETATM 17 H LIG 1 -3.424 -5.173 -0.099 1.00 0.00 H HETATM 18 C LIG 1 -1.372 -5.096 -0.821 1.00 0.00 C HETATM 19 H LIG 1 -0.994 -6.083 -0.618 1.00 0.00 H HETATM 20 C LIG 1 -0.629 -4.058 -1.507 1.00 0.00 C HETATM 21 C LIG 1 0.687 -4.055 -1.916 1.00 0.00 C HETATM 22 C LIG 1 1.242 -3.031 -2.771 1.00 0.00 C HETATM 23 C LIG 1 0.635 -2.351 -3.855 1.00 0.00 C HETATM 24 H LIG 1 -0.366 -2.520 -4.216 1.00 0.00 H HETATM 25 C LIG 1 1.584 -1.505 -4.413 1.00 0.00 C HETATM 26 H LIG 1 1.446 -0.865 -5.267 1.00 0.00 H HETATM 27 C LIG 1 2.778 -1.637 -3.664 1.00 0.00 C HETATM 28 C LIG 1 4.062 -1.031 -3.810 1.00 0.00 C HETATM 29 C LIG 1 5.087 -1.174 -2.875 1.00 0.00 C HETATM 30 C LIG 1 6.515 -0.893 -2.976 1.00 0.00 C HETATM 31 H LIG 1 7.025 -0.460 -3.818 1.00 0.00 H HETATM 32 C LIG 1 7.075 -1.313 -1.814 1.00 0.00 C HETATM 33 H LIG 1 8.115 -1.261 -1.537 1.00 0.00 H HETATM 34 C LIG 1 5.983 -1.802 -0.979 1.00 0.00 C HETATM 35 C LIG 1 6.055 -2.270 0.381 1.00 0.00 C HETATM 36 C LIG 1 4.940 -2.340 1.209 1.00 0.00 C HETATM 37 C LIG 1 4.736 -2.949 2.512 1.00 0.00 C HETATM 38 H LIG 1 5.491 -3.459 3.081 1.00 0.00 H HETATM 39 C LIG 1 3.434 -2.793 2.863 1.00 0.00 C HETATM 40 H LIG 1 2.975 -3.135 3.772 1.00 0.00 H HETATM 41 C LIG 1 2.764 -2.031 1.823 1.00 0.00 C HETATM 42 C LIG 1 1.456 -1.560 1.706 1.00 0.00 C HETATM 43 C LIG 1 1.045 -0.640 0.685 1.00 0.00 C HETATM 44 C LIG 1 -0.326 -0.323 0.296 1.00 0.00 C HETATM 45 H LIG 1 -1.226 -0.709 0.747 1.00 0.00 H HETATM 46 C LIG 1 -0.238 0.535 -0.756 1.00 0.00 C HETATM 47 H LIG 1 -1.053 0.976 -1.305 1.00 0.00 H HETATM 48 C LIG 1 1.182 0.777 -0.974 1.00 0.00 C HETATM 49 C LIG 1 1.760 1.662 -1.897 1.00 0.00 C HETATM 50 C LIG 1 3.111 2.089 -1.844 1.00 0.00 C HETATM 51 C LIG 1 3.923 2.830 -2.758 1.00 0.00 C HETATM 52 H LIG 1 3.614 3.187 -3.722 1.00 0.00 H HETATM 53 C LIG 1 5.170 2.984 -2.195 1.00 0.00 C HETATM 54 H LIG 1 6.010 3.494 -2.632 1.00 0.00 H HETATM 55 C LIG 1 5.157 2.363 -0.913 1.00 0.00 C HETATM 56 C LIG 1 6.206 2.234 0.051 1.00 0.00 C HETATM 57 C LIG 1 6.000 1.792 1.356 1.00 0.00 C HETATM 58 C LIG 1 6.962 1.310 2.351 1.00 0.00 C HETATM 59 H LIG 1 8.030 1.261 2.236 1.00 0.00 H HETATM 60 C LIG 1 6.242 0.882 3.413 1.00 0.00 C HETATM 61 H LIG 1 6.624 0.453 4.323 1.00 0.00 H HETATM 62 C LIG 1 4.834 1.151 3.102 1.00 0.00 C HETATM 63 C LIG 1 3.684 0.987 3.932 1.00 0.00 C HETATM 64 C LIG 1 2.472 1.634 3.648 1.00 0.00 C HETATM 65 C LIG 1 1.187 1.561 4.314 1.00 0.00 C HETATM 66 H LIG 1 0.978 0.969 5.188 1.00 0.00 H HETATM 67 C LIG 1 0.318 2.359 3.643 1.00 0.00 C HETATM 68 H LIG 1 -0.713 2.547 3.897 1.00 0.00 H HETATM 69 C LIG 1 1.030 3.010 2.558 1.00 0.00 C HETATM 70 C LIG 1 0.540 3.965 1.688 1.00 0.00 C HETATM 71 C LIG 1 -0.870 4.159 1.466 1.00 0.00 C HETATM 72 C LIG 1 -1.617 5.305 1.170 1.00 0.00 C HETATM 73 H LIG 1 -1.228 6.309 1.139 1.00 0.00 H HETATM 74 C LIG 1 -2.950 4.914 0.995 1.00 0.00 C HETATM 75 H LIG 1 -3.792 5.566 0.829 1.00 0.00 H HETATM 76 C LIG 1 -3.023 3.524 1.152 1.00 0.00 C HETATM 77 C LIG 1 -4.137 2.599 1.020 1.00 0.00 C HETATM 78 C LIG 1 -5.116 2.758 0.064 1.00 0.00 C HETATM 79 C LIG 1 -5.171 3.770 -0.984 1.00 0.00 C HETATM 80 H LIG 1 -4.398 4.498 -1.167 1.00 0.00 H HETATM 81 C LIG 1 -6.321 3.621 -1.679 1.00 0.00 C HETATM 82 H LIG 1 -6.649 4.213 -2.514 1.00 0.00 H HETATM 83 C LIG 1 -7.045 2.481 -1.130 1.00 0.00 C HETATM 84 C LIG 1 -8.270 1.922 -1.453 1.00 0.00 C HETATM 85 C LIG 1 -9.063 -2.972 2.112 1.00 0.00 C HETATM 86 C LIG 1 -3.827 -1.080 -1.610 1.00 0.00 C HETATM 87 C LIG 1 1.540 -5.209 -1.446 1.00 0.00 C HETATM 88 C LIG 1 4.260 -0.256 -5.096 1.00 0.00 C HETATM 89 C LIG 1 7.426 -2.658 0.866 1.00 0.00 C HETATM 90 C LIG 1 0.367 -2.058 2.619 1.00 0.00 C HETATM 91 C LIG 1 0.819 2.246 -2.934 1.00 0.00 C HETATM 92 C LIG 1 7.577 2.632 -0.451 1.00 0.00 C HETATM 93 C LIG 1 3.731 0.177 5.197 1.00 0.00 C HETATM 94 C LIG 1 1.439 4.873 0.884 1.00 0.00 C HETATM 95 C LIG 1 -4.162 1.490 2.035 1.00 0.00 C HETATM 96 C LIG 1 -9.192 2.557 -2.454 1.00 0.00 C HETATM 97 F LIG 1 -10.345 -2.586 2.235 1.00 0.00 F HETATM 98 F LIG 1 -8.549 -2.986 3.367 1.00 0.00 F HETATM 99 F LIG 1 -9.078 -4.253 1.685 1.00 0.00 F HETATM 100 F LIG 1 -5.031 -0.886 -2.207 1.00 0.00 F HETATM 101 F LIG 1 -3.638 -0.002 -0.800 1.00 0.00 F HETATM 102 F LIG 1 -2.904 -0.978 -2.592 1.00 0.00 F HETATM 103 F LIG 1 2.837 -5.073 -1.784 1.00 0.00 F HETATM 104 F LIG 1 1.125 -6.391 -1.970 1.00 0.00 F HETATM 105 F LIG 1 1.503 -5.364 -0.100 1.00 0.00 F HETATM 106 F LIG 1 3.294 0.688 -5.247 1.00 0.00 F HETATM 107 F LIG 1 4.182 -1.060 -6.179 1.00 0.00 F HETATM 108 F LIG 1 5.433 0.394 -5.172 1.00 0.00 F HETATM 109 F LIG 1 8.251 -1.578 0.936 1.00 0.00 F HETATM 110 F LIG 1 8.024 -3.531 0.024 1.00 0.00 F HETATM 111 F LIG 1 7.446 -3.225 2.088 1.00 0.00 F HETATM 112 F LIG 1 -0.343 -1.043 3.171 1.00 0.00 F HETATM 113 F LIG 1 0.797 -2.822 3.639 1.00 0.00 F HETATM 114 F LIG 1 -0.542 -2.814 1.938 1.00 0.00 F HETATM 115 F LIG 1 0.093 1.283 -3.551 1.00 0.00 F HETATM 116 F LIG 1 -0.078 3.087 -2.363 1.00 0.00 F HETATM 117 F LIG 1 1.431 2.941 -3.907 1.00 0.00 F HETATM 118 F LIG 1 8.562 2.468 0.448 1.00 0.00 F HETATM 119 F LIG 1 7.939 1.937 -1.555 1.00 0.00 F HETATM 120 F LIG 1 7.598 3.943 -0.804 1.00 0.00 F HETATM 121 F LIG 1 4.845 -0.571 5.317 1.00 0.00 F HETATM 122 F LIG 1 3.657 0.947 6.311 1.00 0.00 F HETATM 123 F LIG 1 2.684 -0.692 5.281 1.00 0.00 F HETATM 124 F LIG 1 2.753 4.597 1.030 1.00 0.00 F HETATM 125 F LIG 1 1.172 4.814 -0.435 1.00 0.00 F HETATM 126 F LIG 1 1.275 6.166 1.257 1.00 0.00 F HETATM 127 F LIG 1 -3.044 0.703 1.960 1.00 0.00 F HETATM 128 F LIG 1 -5.211 0.652 1.918 1.00 0.00 F HETATM 129 F LIG 1 -4.183 1.970 3.298 1.00 0.00 F HETATM 130 F LIG 1 -8.591 3.458 -3.261 1.00 0.00 F HETATM 131 F LIG 1 -10.223 3.210 -1.854 1.00 0.00 F HETATM 132 F LIG 1 -9.755 1.632 -3.265 1.00 0.00 F HETATM 133 N LIG 1 -7.980 -0.097 -0.128 1.00 0.00 N HETATM 134 N LIG 1 -6.063 -2.047 0.044 1.00 0.00 N HETATM 135 H LIG 1 -6.392 -1.352 -0.617 1.00 0.00 H HETATM 136 N LIG 1 -1.511 -3.004 -1.661 1.00 0.00 N HETATM 137 H LIG 1 -1.208 -2.086 -1.947 1.00 0.00 H HETATM 138 N LIG 1 2.522 -2.575 -2.691 1.00 0.00 N HETATM 139 H LIG 1 3.222 -2.770 -1.978 1.00 0.00 H HETATM 140 N LIG 1 4.823 -1.725 -1.636 1.00 0.00 N HETATM 141 N LIG 1 3.720 -1.801 0.867 1.00 0.00 N HETATM 142 H LIG 1 3.544 -1.273 0.018 1.00 0.00 H HETATM 143 N LIG 1 1.917 0.040 -0.080 1.00 0.00 N HETATM 144 N LIG 1 3.909 1.835 -0.753 1.00 0.00 N HETATM 145 H LIG 1 3.610 1.297 0.055 1.00 0.00 H HETATM 146 N LIG 1 4.729 1.681 1.871 1.00 0.00 N HETATM 147 N LIG 1 2.322 2.524 2.626 1.00 0.00 N HETATM 148 H LIG 1 3.093 2.674 1.976 1.00 0.00 H HETATM 149 N LIG 1 -1.755 3.099 1.473 1.00 0.00 N HETATM 150 H LIG 1 -1.467 2.131 1.472 1.00 0.00 H HETATM 151 N LIG 1 -6.259 2.004 -0.104 1.00 0.00 N HETATM 152 H LIG 1 -6.521 1.154 0.384 1.00 0.00 H CONECT 1 84 2 133 CONECT 2 3 1 4 CONECT 3 2 CONECT 4 2 6 5 CONECT 5 4 CONECT 6 133 4 7 CONECT 7 6 8 85 CONECT 8 134 7 9 CONECT 9 8 11 10 CONECT 10 9 CONECT 11 13 12 9 CONECT 12 11 CONECT 13 14 134 11 CONECT 14 86 15 13 CONECT 15 136 14 16 CONECT 16 15 18 17 CONECT 17 16 CONECT 18 20 19 16 CONECT 19 18 CONECT 20 21 136 18 CONECT 21 22 20 87 CONECT 22 23 138 21 CONECT 23 25 24 22 CONECT 24 23 CONECT 25 26 23 27 CONECT 26 25 CONECT 27 25 28 138 CONECT 28 88 27 29 CONECT 29 28 30 140 CONECT 30 31 29 32 CONECT 31 30 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 140 35 CONECT 35 34 89 36 CONECT 36 35 141 37 CONECT 37 36 39 38 CONECT 38 37 CONECT 39 41 37 40 CONECT 40 39 CONECT 41 141 42 39 CONECT 42 43 41 90 CONECT 43 143 44 42 CONECT 44 46 43 45 CONECT 45 44 CONECT 46 47 48 44 CONECT 47 46 CONECT 48 49 46 143 CONECT 49 91 50 48 CONECT 50 51 49 144 CONECT 51 52 53 50 CONECT 52 51 CONECT 53 51 54 55 CONECT 54 53 CONECT 55 53 144 56 CONECT 56 55 92 57 CONECT 57 56 146 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 62 61 CONECT 61 60 CONECT 62 146 60 63 CONECT 63 62 64 93 CONECT 64 147 63 65 CONECT 65 67 64 66 CONECT 66 65 CONECT 67 69 68 65 CONECT 68 67 CONECT 69 70 147 67 CONECT 70 94 71 69 CONECT 71 72 149 70 CONECT 72 74 73 71 CONECT 73 72 CONECT 74 75 76 72 CONECT 75 74 CONECT 76 74 77 149 CONECT 77 78 76 95 CONECT 78 79 151 77 CONECT 79 81 80 78 CONECT 80 79 CONECT 81 82 83 79 CONECT 82 81 CONECT 83 81 84 151 CONECT 84 96 83 1 CONECT 85 7 99 97 98 CONECT 85 CONECT 86 102 100 14 101 CONECT 86 CONECT 87 104 21 103 105 CONECT 87 CONECT 88 107 106 108 28 CONECT 88 CONECT 89 110 35 109 111 CONECT 89 CONECT 90 42 114 112 113 CONECT 90 CONECT 91 117 115 116 49 CONECT 91 CONECT 92 119 120 56 118 CONECT 92 CONECT 93 63 123 121 122 CONECT 93 CONECT 94 125 124 126 70 CONECT 94 CONECT 95 77 128 127 129 CONECT 95 CONECT 96 132 130 131 84 CONECT 96 CONECT 97 85 CONECT 98 85 CONECT 99 85 CONECT 100 86 CONECT 101 86 CONECT 102 86 CONECT 103 87 CONECT 104 87 CONECT 105 87 CONECT 106 88 CONECT 107 88 CONECT 108 88 CONECT 109 89 CONECT 110 89 CONECT 111 89 CONECT 112 90 CONECT 113 90 CONECT 114 90 CONECT 115 91 CONECT 116 91 CONECT 117 91 CONECT 118 92 CONECT 119 92 CONECT 120 92 CONECT 121 93 CONECT 122 93 CONECT 123 93 CONECT 124 94 CONECT 125 94 CONECT 126 94 CONECT 127 95 CONECT 128 95 CONECT 129 95 CONECT 130 96 CONECT 131 96 CONECT 132 96 CONECT 133 1 6 CONECT 134 135 13 8 CONECT 135 134 CONECT 136 137 20 15 CONECT 137 136 CONECT 138 27 22 139 CONECT 139 138 CONECT 140 29 34 CONECT 141 142 36 41 CONECT 142 141 CONECT 143 48 43 CONECT 144 50 55 145 CONECT 145 144 CONECT 146 57 62 CONECT 147 148 69 64 CONECT 148 147 CONECT 149 76 71 150 CONECT 150 149 CONECT 151 83 78 152 CONECT 152 151 MASTER 0 0 0 0 0 0 0 0 152 0 152 0 END