REMARK Name = BDB060266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.587 2.286 -2.360 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.341 3.208 -2.384 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.196 2.544 -2.012 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.303 1.594 -1.655 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.387 4.425 -2.598 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -1.104 3.171 -1.810 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -1.914 2.166 -0.971 0.00 0.00 +0.234 C ATOM 8 N LIG 1 -2.894 2.684 -0.152 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -3.055 3.685 -0.156 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -1.690 0.957 -1.053 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 C LIG 1 -3.394 1.922 0.999 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 C LIG 1 -4.925 1.689 1.028 0.00 0.00 +0.234 C ATOM 13 N LIG 1 -5.635 2.257 -0.007 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -5.141 2.385 -0.883 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -5.483 1.118 1.961 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 -7.108 2.238 -0.004 0.00 0.00 +0.170 C BRANCH 16 17 ATOM 17 C LIG 1 -7.634 0.986 -0.770 0.00 0.00 +0.237 C ATOM 18 N LIG 1 -8.981 1.056 -1.157 0.00 0.00 -0.286 N ATOM 19 C LIG 1 -9.766 -0.172 -0.994 0.00 0.00 +0.165 C ATOM 20 C LIG 1 -9.603 -0.933 -2.300 0.00 0.00 +0.070 C ATOM 21 C LIG 1 -9.673 0.200 -3.307 0.00 0.00 +0.186 C ATOM 22 F LIG 1 -8.916 -0.115 -4.387 0.00 0.00 -0.244 F ATOM 23 C LIG 1 -9.107 1.419 -2.577 0.00 0.00 +0.145 C ATOM 24 O LIG 1 -6.957 -0.020 -0.980 0.00 0.00 -0.274 OA BRANCH 19 25 ATOM 25 C LIG 1 -9.688 -0.945 0.343 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -9.317 -2.264 0.244 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -8.882 -2.601 -0.605 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -9.983 -0.412 1.410 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -9.609 -3.227 1.300 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -8.778 -3.055 2.594 0.00 0.00 +0.234 C ATOM 31 N LIG 1 -9.348 -3.691 3.676 0.00 0.00 -0.300 N ATOM 32 H LIG 1 -10.363 -3.677 3.750 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 -7.634 -2.603 2.614 0.00 0.00 -0.274 OA BRANCH 31 34 ATOM 34 C LIG 1 -8.646 -3.838 4.947 0.00 0.00 +0.187 C BRANCH 34 35 ATOM 35 C LIG 1 -7.517 -4.871 4.732 0.00 0.00 +0.236 C ATOM 36 N LIG 1 -6.263 -4.312 4.652 0.00 0.00 -0.305 N ATOM 37 H LIG 1 -6.243 -3.328 4.418 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 -7.732 -6.071 4.544 0.00 0.00 -0.274 OA BRANCH 36 39 ATOM 39 C LIG 1 -5.064 -5.086 4.349 0.00 0.00 +0.200 C BRANCH 39 40 ATOM 40 C LIG 1 -4.553 -4.788 2.938 0.00 0.00 +0.231 C ATOM 41 N LIG 1 -3.606 -3.776 2.904 0.00 0.00 -0.302 N ATOM 42 H LIG 1 -2.838 -4.051 2.287 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -5.007 -5.278 1.902 0.00 0.00 -0.274 OA BRANCH 41 44 ATOM 44 C LIG 1 -4.089 -2.442 2.512 0.00 0.00 +0.163 C BRANCH 44 45 ATOM 45 C LIG 1 -3.654 -2.200 1.063 0.00 0.00 +0.234 C ATOM 46 N LIG 1 -4.519 -2.742 0.129 0.00 0.00 -0.302 N ATOM 47 H LIG 1 -5.067 -3.526 0.468 0.00 0.00 +0.150 HD ATOM 48 O LIG 1 -2.601 -1.637 0.779 0.00 0.00 -0.274 OA BRANCH 46 49 ATOM 49 C LIG 1 -4.264 -2.694 -1.321 0.00 0.00 +0.163 C BRANCH 49 50 ATOM 50 C LIG 1 -3.260 -3.816 -1.700 0.00 0.00 +0.234 C ATOM 51 N LIG 1 -2.961 -3.925 -3.049 0.00 0.00 -0.302 N ATOM 52 H LIG 1 -3.279 -3.199 -3.675 0.00 0.00 +0.150 HD ATOM 53 O LIG 1 -2.789 -4.612 -0.889 0.00 0.00 -0.274 OA BRANCH 51 54 ATOM 54 C LIG 1 -1.898 -4.798 -3.523 0.00 0.00 +0.159 C BRANCH 54 55 ATOM 55 C LIG 1 -0.923 -3.908 -4.335 0.00 0.00 +0.231 C ATOM 56 O LIG 1 0.245 -3.717 -4.001 0.00 0.00 -0.274 OA ATOM 57 N LIG 1 -1.429 -3.308 -5.455 0.00 0.00 -0.328 N ATOM 58 H LIG 1 -2.225 -3.688 -5.952 0.00 0.00 +0.145 HD ATOM 59 H LIG 1 -0.770 -2.788 -6.025 0.00 0.00 +0.145 HD ENDBRANCH 54 55 BRANCH 54 60 ATOM 60 C LIG 1 -2.479 -5.951 -4.361 0.00 0.00 +0.034 C BRANCH 60 61 ATOM 61 C LIG 1 -1.430 -7.006 -4.766 0.00 0.00 -0.015 C ATOM 62 C LIG 1 -1.049 -7.901 -3.580 0.00 0.00 +0.007 C ATOM 63 C LIG 1 -1.960 -7.872 -5.909 0.00 0.00 +0.007 C ENDBRANCH 60 61 ENDBRANCH 54 60 ENDBRANCH 51 54 ENDBRANCH 49 50 BRANCH 49 64 ATOM 64 C LIG 1 -3.834 -1.295 -1.804 0.00 0.00 +0.067 C BRANCH 64 65 ATOM 65 C LIG 1 -4.135 -0.966 -3.257 0.00 0.00 -0.045 A ATOM 66 C LIG 1 -5.423 -1.082 -3.791 0.00 0.00 +0.004 A ATOM 67 C LIG 1 -5.668 -0.750 -5.125 0.00 0.00 +0.000 A ATOM 68 C LIG 1 -4.636 -0.265 -5.926 0.00 0.00 +0.000 A ATOM 69 C LIG 1 -3.353 -0.134 -5.399 0.00 0.00 +0.000 A ATOM 70 C LIG 1 -3.104 -0.469 -4.073 0.00 0.00 +0.004 A ENDBRANCH 64 65 ENDBRANCH 49 64 ENDBRANCH 46 49 ENDBRANCH 44 45 BRANCH 44 71 ATOM 71 C LIG 1 -3.515 -1.351 3.424 0.00 0.00 +0.067 C BRANCH 71 72 ATOM 72 C LIG 1 -4.126 -1.354 4.811 0.00 0.00 -0.040 A ATOM 73 C LIG 1 -3.402 -1.846 5.906 0.00 0.00 +0.042 A ATOM 74 C LIG 1 -3.978 -1.862 7.173 0.00 0.00 +0.126 A ATOM 75 F LIG 1 -3.262 -2.326 8.203 0.00 0.00 -0.205 F ATOM 76 C LIG 1 -5.277 -1.428 7.374 0.00 0.00 +0.076 A ATOM 77 C LIG 1 -5.995 -0.942 6.291 0.00 0.00 +0.126 A ATOM 78 F LIG 1 -7.258 -0.541 6.474 0.00 0.00 -0.205 F ATOM 79 C LIG 1 -5.436 -0.883 5.017 0.00 0.00 +0.042 A ENDBRANCH 71 72 ENDBRANCH 44 71 ENDBRANCH 41 44 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 34 35 BRANCH 34 80 ATOM 80 C LIG 1 -9.627 -4.348 6.019 0.00 0.00 +0.141 C ATOM 81 C LIG 1 -9.009 -4.383 7.415 0.00 0.00 +0.040 C BRANCH 80 82 ATOM 82 O LIG 1 -10.786 -3.492 6.015 0.00 0.00 -0.390 OA ATOM 83 H LIG 1 -11.041 -3.301 6.940 0.00 0.00 +0.210 HD ENDBRANCH 80 82 ENDBRANCH 34 80 ENDBRANCH 31 34 ENDBRANCH 29 30 BRANCH 29 84 ATOM 84 C LIG 1 -9.396 -4.667 0.783 0.00 0.00 +0.043 C BRANCH 84 85 ATOM 85 C LIG 1 -7.914 -5.004 0.590 0.00 0.00 +0.123 C BRANCH 85 86 ATOM 86 C LIG 1 -7.682 -6.394 0.037 0.00 0.00 +0.305 C ATOM 87 O LIG 1 -8.484 -7.002 -0.652 0.00 0.00 -0.251 OA BRANCH 86 88 ATOM 88 O LIG 1 -6.474 -6.893 0.374 0.00 0.00 -0.481 OA ATOM 89 H LIG 1 -5.932 -6.278 0.936 0.00 0.00 +0.295 HD ENDBRANCH 86 88 ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 29 84 ENDBRANCH 26 29 ENDBRANCH 19 25 ENDBRANCH 16 17 BRANCH 16 90 ATOM 90 C LIG 1 -7.605 3.564 -0.571 0.00 0.00 +0.152 C BRANCH 90 91 ATOM 91 C LIG 1 -8.938 3.948 -0.006 0.00 0.00 +0.307 C ATOM 92 O LIG 1 -9.960 4.118 -0.653 0.00 0.00 -0.251 OA BRANCH 91 93 ATOM 93 O LIG 1 -8.911 4.186 1.313 0.00 0.00 -0.481 OA ATOM 94 H LIG 1 -9.828 4.423 1.559 0.00 0.00 +0.295 HD ENDBRANCH 91 93 ENDBRANCH 90 91 ENDBRANCH 16 90 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 95 ATOM 95 C LIG 1 -3.036 2.654 2.308 0.00 0.00 +0.034 C BRANCH 95 96 ATOM 96 C LIG 1 -1.529 2.724 2.615 0.00 0.00 -0.015 C ATOM 97 C LIG 1 -0.969 1.342 2.961 0.00 0.00 +0.007 C ATOM 98 C LIG 1 -1.284 3.688 3.777 0.00 0.00 +0.007 C ENDBRANCH 95 96 ENDBRANCH 11 95 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 99 ATOM 99 C LIG 1 -1.792 3.432 -3.154 0.00 0.00 +0.067 C BRANCH 99 100 ATOM 100 C LIG 1 -3.033 4.288 -3.054 0.00 0.00 -0.045 A ATOM 101 C LIG 1 -2.934 5.640 -2.695 0.00 0.00 +0.004 A ATOM 102 C LIG 1 -4.081 6.427 -2.605 0.00 0.00 +0.000 A ATOM 103 C LIG 1 -5.326 5.874 -2.880 0.00 0.00 +0.000 A ATOM 104 C LIG 1 -5.433 4.544 -3.264 0.00 0.00 +0.000 A ATOM 105 C LIG 1 -4.292 3.741 -3.342 0.00 0.00 +0.004 A ENDBRANCH 99 100 ENDBRANCH 6 99 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 107 ATOM 106 C LIG 1 1.917 0.683 -4.145 0.00 0.00 +0.231 C ATOM 107 N LIG 1 2.259 0.931 -2.833 0.00 0.00 -0.303 N ATOM 108 H LIG 1 2.628 0.159 -2.297 0.00 0.00 +0.149 HD ATOM 109 O LIG 1 1.651 1.580 -4.941 0.00 0.00 -0.274 OA BRANCH 106 110 ATOM 110 C LIG 1 1.765 -0.784 -4.537 0.00 0.00 +0.200 C BRANCH 110 112 ATOM 111 C LIG 1 3.702 -2.019 -3.700 0.00 0.00 +0.234 C ATOM 112 N LIG 1 2.337 -1.803 -3.668 0.00 0.00 -0.305 N ATOM 113 H LIG 1 1.736 -2.622 -3.551 0.00 0.00 +0.149 HD ATOM 114 O LIG 1 4.468 -1.140 -4.099 0.00 0.00 -0.274 OA BRANCH 111 115 ATOM 115 C LIG 1 4.261 -3.312 -3.039 0.00 0.00 +0.159 C BRANCH 115 117 ATOM 116 C LIG 1 6.386 -3.167 -1.765 0.00 0.00 +0.234 C ATOM 117 N LIG 1 5.047 -2.874 -1.895 0.00 0.00 -0.302 N ATOM 118 H LIG 1 4.567 -2.380 -1.149 0.00 0.00 +0.150 HD ATOM 119 O LIG 1 7.008 -3.835 -2.589 0.00 0.00 -0.274 OA BRANCH 116 120 ATOM 120 C LIG 1 7.067 -2.577 -0.518 0.00 0.00 +0.159 C BRANCH 120 122 ATOM 121 C LIG 1 7.596 -4.628 0.861 0.00 0.00 +0.234 C ATOM 122 N LIG 1 7.941 -3.624 -0.000 0.00 0.00 -0.302 N ATOM 123 H LIG 1 8.482 -4.048 -0.755 0.00 0.00 +0.150 HD ATOM 124 O LIG 1 8.136 -5.720 0.643 0.00 0.00 -0.274 OA BRANCH 121 125 ATOM 125 C LIG 1 6.887 -4.337 2.221 0.00 0.00 +0.159 C BRANCH 125 127 ATOM 126 C LIG 1 4.638 -3.375 1.806 0.00 0.00 +0.234 C ATOM 127 N LIG 1 5.884 -3.276 2.395 0.00 0.00 -0.302 N ATOM 128 H LIG 1 5.925 -2.829 3.308 0.00 0.00 +0.150 HD ATOM 129 O LIG 1 4.429 -4.065 0.814 0.00 0.00 -0.274 OA BRANCH 126 130 ATOM 130 C LIG 1 3.565 -2.440 2.390 0.00 0.00 +0.159 C BRANCH 130 132 ATOM 131 C LIG 1 3.226 -0.216 1.153 0.00 0.00 +0.234 C ATOM 132 N LIG 1 3.110 -1.557 1.320 0.00 0.00 -0.302 N ATOM 133 H LIG 1 2.710 -2.018 0.503 0.00 0.00 +0.150 HD ATOM 134 O LIG 1 2.770 0.232 0.091 0.00 0.00 -0.274 OA BRANCH 131 135 ATOM 135 C LIG 1 3.826 0.666 2.280 0.00 0.00 +0.159 C BRANCH 135 137 ATOM 136 C LIG 1 3.442 3.001 1.407 0.00 0.00 +0.234 C ATOM 137 N LIG 1 4.276 1.980 1.829 0.00 0.00 -0.302 N ATOM 138 H LIG 1 5.268 2.166 1.838 0.00 0.00 +0.150 HD ATOM 139 O LIG 1 2.222 2.879 1.292 0.00 0.00 -0.274 OA BRANCH 136 140 ATOM 140 C LIG 1 4.203 4.340 1.163 0.00 0.00 +0.159 C BRANCH 140 142 ATOM 141 C LIG 1 2.595 5.987 0.154 0.00 0.00 +0.234 C ATOM 142 N LIG 1 3.690 5.147 0.068 0.00 0.00 -0.302 N ATOM 143 H LIG 1 4.402 5.460 -0.595 0.00 0.00 +0.150 HD ATOM 144 O LIG 1 1.789 5.943 1.083 0.00 0.00 -0.274 OA BRANCH 141 145 ATOM 145 C LIG 1 2.643 7.178 -0.867 0.00 0.00 +0.162 C BRANCH 145 146 ATOM 146 N LIG 1 3.041 6.811 -2.238 0.00 0.00 -0.302 N ATOM 147 H LIG 1 2.350 6.237 -2.717 0.00 0.00 +0.150 HD ATOM 148 C LIG 1 4.349 6.612 -2.641 0.00 0.00 +0.234 C ATOM 149 O LIG 1 5.198 6.222 -1.843 0.00 0.00 -0.274 OA BRANCH 148 150 ATOM 150 C LIG 1 4.588 6.819 -4.155 0.00 0.00 +0.159 C BRANCH 150 151 ATOM 151 N LIG 1 6.005 6.682 -4.484 0.00 0.00 -0.303 N ATOM 152 H LIG 1 6.358 5.720 -4.451 0.00 0.00 +0.149 HD ATOM 153 C LIG 1 6.901 7.690 -4.181 0.00 0.00 +0.231 C ATOM 154 O LIG 1 6.535 8.755 -3.675 0.00 0.00 -0.274 OA BRANCH 153 155 ATOM 155 C LIG 1 8.363 7.437 -4.586 0.00 0.00 +0.140 C ATOM 156 N LIG 1 9.254 8.467 -3.977 0.00 0.00 -0.306 NA ATOM 157 H LIG 1 8.650 9.179 -3.541 0.00 0.00 +0.123 HD ATOM 158 C LIG 1 10.054 7.796 -2.958 0.00 0.00 +0.081 C ATOM 159 C LIG 1 10.280 6.418 -3.546 0.00 0.00 +0.017 C ATOM 160 C LIG 1 8.919 6.091 -4.137 0.00 0.00 +0.029 C ENDBRANCH 153 155 ENDBRANCH 150 151 BRANCH 150 161 ATOM 161 C LIG 1 3.759 5.880 -5.045 0.00 0.00 +0.034 C BRANCH 161 162 ATOM 162 C LIG 1 3.212 6.559 -6.319 0.00 0.00 -0.015 C ATOM 163 C LIG 1 2.183 7.647 -5.994 0.00 0.00 +0.007 C ATOM 164 C LIG 1 2.563 5.513 -7.224 0.00 0.00 +0.007 C ENDBRANCH 161 162 ENDBRANCH 150 161 ENDBRANCH 148 150 ENDBRANCH 145 146 BRANCH 145 165 ATOM 165 C LIG 1 1.329 8.041 -0.850 0.00 0.00 +0.015 C ATOM 166 C LIG 1 1.657 9.445 -0.316 0.00 0.00 +0.010 C BRANCH 165 168 ATOM 167 C LIG 1 -0.667 8.928 -2.229 0.00 0.00 +0.004 C ATOM 168 C LIG 1 0.619 8.114 -2.224 0.00 0.00 +0.002 C ENDBRANCH 165 168 ENDBRANCH 145 165 ENDBRANCH 141 145 ENDBRANCH 140 142 BRANCH 140 169 ATOM 169 C LIG 1 4.379 5.106 2.493 0.00 0.00 +0.034 C BRANCH 169 170 ATOM 170 C LIG 1 5.087 6.474 2.410 0.00 0.00 -0.015 C ATOM 171 C LIG 1 6.524 6.352 1.903 0.00 0.00 +0.007 C ATOM 172 C LIG 1 5.080 7.131 3.795 0.00 0.00 +0.007 C ENDBRANCH 169 170 ENDBRANCH 140 169 ENDBRANCH 136 140 ENDBRANCH 135 137 BRANCH 135 173 ATOM 173 C LIG 1 2.912 0.726 3.520 0.00 0.00 +0.034 C BRANCH 173 174 ATOM 174 C LIG 1 3.674 0.873 4.859 0.00 0.00 -0.015 C ATOM 175 C LIG 1 2.754 0.513 6.025 0.00 0.00 +0.007 C ATOM 176 C LIG 1 4.222 2.290 5.051 0.00 0.00 +0.007 C ENDBRANCH 173 174 ENDBRANCH 135 173 ENDBRANCH 131 135 ENDBRANCH 130 132 BRANCH 130 177 ATOM 177 C LIG 1 2.413 -3.259 3.002 0.00 0.00 +0.033 C BRANCH 177 178 ATOM 178 C LIG 1 1.447 -3.887 1.984 0.00 0.00 +0.023 C BRANCH 178 179 ATOM 179 C LIG 1 0.343 -4.693 2.670 0.00 0.00 +0.115 C BRANCH 179 180 ATOM 180 N LIG 1 -0.617 -5.175 1.679 0.00 0.00 -0.356 N ATOM 181 H LIG 1 -0.254 -5.203 0.730 0.00 0.00 +0.162 HD BRANCH 180 182 ATOM 182 C LIG 1 -1.477 -6.182 1.968 0.00 0.00 +0.188 C ATOM 183 N LIG 1 -1.727 -6.609 3.148 0.00 0.00 -0.269 NA ATOM 184 H LIG 1 -2.366 -7.408 3.061 0.00 0.00 +0.190 HD BRANCH 182 185 ATOM 185 N LIG 1 -2.125 -6.614 0.868 0.00 0.00 -0.370 N ATOM 186 H LIG 1 -3.066 -6.942 1.053 0.00 0.00 +0.159 HD ATOM 187 H LIG 1 -2.175 -5.921 0.119 0.00 0.00 +0.159 HD ENDBRANCH 182 185 ENDBRANCH 180 182 ENDBRANCH 179 180 ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 130 177 ENDBRANCH 126 130 ENDBRANCH 125 127 BRANCH 125 188 ATOM 188 C LIG 1 6.385 -5.656 2.873 0.00 0.00 +0.034 C BRANCH 188 189 ATOM 189 C LIG 1 7.149 -6.093 4.143 0.00 0.00 -0.015 C ATOM 190 C LIG 1 7.001 -5.082 5.278 0.00 0.00 +0.007 C ATOM 191 C LIG 1 8.622 -6.402 3.867 0.00 0.00 +0.007 C ENDBRANCH 188 189 ENDBRANCH 125 188 ENDBRANCH 121 125 ENDBRANCH 120 122 BRANCH 120 192 ATOM 192 C LIG 1 7.867 -1.347 -0.975 0.00 0.00 +0.034 C BRANCH 192 193 ATOM 193 C LIG 1 8.430 -0.437 0.131 0.00 0.00 -0.015 C ATOM 194 C LIG 1 7.324 0.237 0.941 0.00 0.00 +0.007 C ATOM 195 C LIG 1 9.415 -1.137 1.062 0.00 0.00 +0.007 C ENDBRANCH 192 193 ENDBRANCH 120 192 ENDBRANCH 116 120 ENDBRANCH 115 117 BRANCH 115 196 ATOM 196 C LIG 1 3.233 -4.382 -2.651 0.00 0.00 +0.033 C BRANCH 196 197 ATOM 197 C LIG 1 3.877 -5.687 -2.156 0.00 0.00 +0.023 C BRANCH 197 198 ATOM 198 C LIG 1 2.812 -6.732 -1.821 0.00 0.00 +0.115 C BRANCH 198 199 ATOM 199 N LIG 1 3.453 -7.963 -1.367 0.00 0.00 -0.356 N ATOM 200 H LIG 1 4.037 -7.769 -0.548 0.00 0.00 +0.162 HD BRANCH 199 201 ATOM 201 C LIG 1 2.743 -9.082 -1.095 0.00 0.00 +0.188 C ATOM 202 N LIG 1 2.857 -9.666 0.043 0.00 0.00 -0.269 NA ATOM 203 H LIG 1 2.256 -10.496 0.029 0.00 0.00 +0.190 HD BRANCH 201 204 ATOM 204 N LIG 1 1.983 -9.531 -2.103 0.00 0.00 -0.370 N ATOM 205 H LIG 1 1.510 -10.413 -2.056 0.00 0.00 +0.159 HD ATOM 206 H LIG 1 2.169 -9.167 -3.034 0.00 0.00 +0.159 HD ENDBRANCH 201 204 ENDBRANCH 199 201 ENDBRANCH 198 199 ENDBRANCH 197 198 ENDBRANCH 196 197 ENDBRANCH 115 196 ENDBRANCH 111 115 ENDBRANCH 110 112 ENDBRANCH 106 110 ENDBRANCH 1 107 BRANCH 1 207 ATOM 207 C LIG 1 3.813 2.895 -3.040 0.00 0.00 +0.041 C BRANCH 207 208 ATOM 208 C LIG 1 5.094 2.112 -2.746 0.00 0.00 +0.098 C BRANCH 208 209 ATOM 209 C LIG 1 6.283 2.662 -3.510 0.00 0.00 +0.211 C ATOM 210 O LIG 1 6.372 3.806 -3.943 0.00 0.00 -0.276 OA ATOM 211 N LIG 1 7.322 1.774 -3.609 0.00 0.00 -0.329 N ATOM 212 H LIG 1 8.082 2.055 -4.213 0.00 0.00 +0.145 HD ATOM 213 H LIG 1 7.104 0.784 -3.618 0.00 0.00 +0.145 HD ENDBRANCH 208 209 ENDBRANCH 207 208 ENDBRANCH 1 207 TORSDOF 86