REMARK Name = BDB060282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.758 -2.600 -0.044 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 6.586 -4.051 0.121 0.00 0.00 -0.302 N ATOM 3 H LIG 1 6.881 -4.568 -0.701 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 5.614 -4.739 0.757 0.00 0.00 +0.234 C ATOM 5 O LIG 1 5.406 -5.891 0.357 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C LIG 1 4.881 -4.188 1.991 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N LIG 1 3.595 -4.880 1.971 0.00 0.00 -0.302 N ATOM 8 H LIG 1 3.672 -5.891 2.040 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 2.580 -4.447 1.136 0.00 0.00 +0.234 C ATOM 10 O LIG 1 2.622 -3.351 0.569 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 1.452 -5.487 0.924 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 N LIG 1 0.184 -4.771 0.764 0.00 0.00 -0.302 N ATOM 13 H LIG 1 0.074 -4.177 -0.058 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -0.521 -4.364 1.887 0.00 0.00 +0.234 C ATOM 15 O LIG 1 -0.217 -4.743 3.011 0.00 0.00 -0.274 OA BRANCH 14 16 ATOM 16 C LIG 1 -1.573 -3.263 1.619 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 N LIG 1 -2.519 -3.554 0.537 0.00 0.00 -0.302 N ATOM 18 H LIG 1 -3.276 -4.201 0.732 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 -2.259 -3.186 -0.760 0.00 0.00 +0.234 C ATOM 20 O LIG 1 -1.114 -2.873 -1.099 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.461 -3.016 -1.739 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 N LIG 1 -2.917 -3.320 -3.087 0.00 0.00 -0.302 N ATOM 23 H LIG 1 -2.104 -2.754 -3.313 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 -3.171 -4.425 -3.882 0.00 0.00 +0.234 C ATOM 25 O LIG 1 -3.981 -5.303 -3.567 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.313 -4.518 -5.188 0.00 0.00 +0.159 C BRANCH 26 27 ATOM 27 N LIG 1 -2.801 -5.553 -6.102 0.00 0.00 -0.303 N ATOM 28 H LIG 1 -3.297 -5.220 -6.925 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -2.660 -6.897 -6.188 0.00 0.00 +0.230 C ATOM 30 O LIG 1 -3.101 -7.413 -7.227 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.110 -7.824 -5.076 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -1.597 -9.056 -5.716 0.00 0.00 -0.320 NA ATOM 33 H LIG 1 -0.874 -8.816 -6.385 0.00 0.00 +0.119 HD ATOM 34 H LIG 1 -2.356 -9.415 -6.311 0.00 0.00 +0.119 HD ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 C LIG 1 -1.019 -7.292 -4.150 0.00 0.00 +0.029 C BRANCH 35 36 ATOM 36 C LIG 1 -0.543 -8.277 -3.064 0.00 0.00 +0.023 C BRANCH 36 37 ATOM 37 C LIG 1 -1.665 -8.957 -2.262 0.00 0.00 +0.115 C BRANCH 37 38 ATOM 38 N LIG 1 -2.662 -7.974 -1.885 0.00 0.00 -0.356 N ATOM 39 H LIG 1 -2.295 -7.203 -1.341 0.00 0.00 +0.162 HD BRANCH 38 40 ATOM 40 C LIG 1 -3.924 -8.335 -1.551 0.00 0.00 +0.188 C ATOM 41 N LIG 1 -4.314 -9.521 -1.290 0.00 0.00 -0.269 NA ATOM 42 H LIG 1 -5.318 -9.514 -1.080 0.00 0.00 +0.190 HD BRANCH 40 43 ATOM 43 N LIG 1 -4.736 -7.259 -1.598 0.00 0.00 -0.370 N ATOM 44 H LIG 1 -5.700 -7.505 -1.802 0.00 0.00 +0.159 HD ATOM 45 H LIG 1 -4.437 -6.661 -2.384 0.00 0.00 +0.159 HD ENDBRANCH 40 43 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 46 ATOM 46 C LIG 1 -2.312 -3.169 -5.943 0.00 0.00 +0.033 C BRANCH 46 47 ATOM 47 C LIG 1 -1.356 -3.128 -7.143 0.00 0.00 +0.023 C BRANCH 47 48 ATOM 48 C LIG 1 -1.380 -1.753 -7.816 0.00 0.00 +0.115 C BRANCH 48 49 ATOM 49 N LIG 1 -0.598 -1.790 -9.035 0.00 0.00 -0.356 N ATOM 50 H LIG 1 0.291 -2.267 -8.904 0.00 0.00 +0.162 HD BRANCH 49 51 ATOM 51 C LIG 1 -0.396 -0.710 -9.812 0.00 0.00 +0.188 C ATOM 52 N LIG 1 0.764 -0.452 -10.278 0.00 0.00 -0.269 NA ATOM 53 H LIG 1 0.743 0.411 -10.822 0.00 0.00 +0.190 HD BRANCH 51 54 ATOM 54 N LIG 1 -1.482 0.047 -10.056 0.00 0.00 -0.370 N ATOM 55 H LIG 1 -2.341 -0.494 -10.084 0.00 0.00 +0.159 HD ATOM 56 H LIG 1 -1.395 0.607 -10.896 0.00 0.00 +0.159 HD ENDBRANCH 51 54 ENDBRANCH 49 51 ENDBRANCH 48 49 ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 26 46 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 57 ATOM 57 C LIG 1 -4.812 -3.659 -1.427 0.00 0.00 +0.033 C BRANCH 57 58 ATOM 58 C LIG 1 -5.628 -3.169 -0.227 0.00 0.00 +0.023 C BRANCH 58 59 ATOM 59 C LIG 1 -5.876 -1.671 -0.115 0.00 0.00 +0.115 C BRANCH 59 60 ATOM 60 N LIG 1 -6.656 -1.451 1.094 0.00 0.00 -0.356 N ATOM 61 H LIG 1 -7.412 -2.126 1.211 0.00 0.00 +0.162 HD BRANCH 60 62 ATOM 62 C LIG 1 -7.128 -0.256 1.501 0.00 0.00 +0.188 C ATOM 63 N LIG 1 -8.321 -0.195 1.984 0.00 0.00 -0.269 NA ATOM 64 H LIG 1 -8.530 0.777 2.224 0.00 0.00 +0.190 HD BRANCH 62 65 ATOM 65 N LIG 1 -6.331 0.816 1.353 0.00 0.00 -0.370 N ATOM 66 H LIG 1 -6.647 1.620 1.876 0.00 0.00 +0.159 HD ATOM 67 H LIG 1 -5.383 0.645 1.708 0.00 0.00 +0.159 HD ENDBRANCH 62 65 ENDBRANCH 60 62 ENDBRANCH 59 60 ENDBRANCH 58 59 ENDBRANCH 57 58 ENDBRANCH 21 57 ENDBRANCH 19 21 ENDBRANCH 16 17 BRANCH 16 68 ATOM 68 C LIG 1 -2.307 -2.845 2.907 0.00 0.00 +0.033 C BRANCH 68 69 ATOM 69 C LIG 1 -3.241 -1.650 2.662 0.00 0.00 +0.023 C BRANCH 69 70 ATOM 70 C LIG 1 -3.748 -0.992 3.942 0.00 0.00 +0.115 C BRANCH 70 71 ATOM 71 N LIG 1 -2.960 0.180 4.265 0.00 0.00 -0.356 N ATOM 72 H LIG 1 -2.065 -0.012 4.734 0.00 0.00 +0.162 HD BRANCH 71 73 ATOM 73 C LIG 1 -3.123 1.382 3.676 0.00 0.00 +0.188 C ATOM 74 N LIG 1 -4.024 1.667 2.803 0.00 0.00 -0.269 NA ATOM 75 H LIG 1 -3.907 2.660 2.571 0.00 0.00 +0.190 HD BRANCH 73 76 ATOM 76 N LIG 1 -2.244 2.300 4.141 0.00 0.00 -0.370 N ATOM 77 H LIG 1 -2.576 3.261 4.111 0.00 0.00 +0.159 HD ATOM 78 H LIG 1 -1.910 2.061 5.074 0.00 0.00 +0.159 HD ENDBRANCH 73 76 ENDBRANCH 71 73 ENDBRANCH 70 71 ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 16 68 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 79 ATOM 79 C LIG 1 1.777 -6.342 -0.311 0.00 0.00 +0.033 C BRANCH 79 80 ATOM 80 C LIG 1 1.745 -7.854 -0.022 0.00 0.00 +0.023 C BRANCH 80 81 ATOM 81 C LIG 1 2.962 -8.420 0.714 0.00 0.00 +0.115 C BRANCH 81 82 ATOM 82 N LIG 1 4.178 -8.225 -0.044 0.00 0.00 -0.356 N ATOM 83 H LIG 1 4.654 -7.321 0.072 0.00 0.00 +0.162 HD BRANCH 82 84 ATOM 84 C LIG 1 4.587 -9.004 -1.071 0.00 0.00 +0.188 C ATOM 85 N LIG 1 4.044 -10.120 -1.395 0.00 0.00 -0.269 NA ATOM 86 H LIG 1 4.522 -10.481 -2.224 0.00 0.00 +0.190 HD BRANCH 84 87 ATOM 87 N LIG 1 5.670 -8.497 -1.698 0.00 0.00 -0.370 N ATOM 88 H LIG 1 6.256 -7.909 -1.121 0.00 0.00 +0.159 HD ATOM 89 H LIG 1 6.201 -9.162 -2.235 0.00 0.00 +0.159 HD ENDBRANCH 84 87 ENDBRANCH 82 84 ENDBRANCH 81 82 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 11 79 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 90 ATOM 90 C LIG 1 5.677 -4.579 3.257 0.00 0.00 +0.033 C BRANCH 90 91 ATOM 91 C LIG 1 4.937 -4.387 4.585 0.00 0.00 +0.023 C BRANCH 91 92 ATOM 92 C LIG 1 4.798 -2.928 5.004 0.00 0.00 +0.115 C BRANCH 92 93 ATOM 93 N LIG 1 3.839 -2.807 6.080 0.00 0.00 -0.356 N ATOM 94 H LIG 1 2.886 -2.565 5.796 0.00 0.00 +0.162 HD BRANCH 93 95 ATOM 95 C LIG 1 4.051 -2.544 7.384 0.00 0.00 +0.188 C ATOM 96 N LIG 1 3.126 -2.020 8.108 0.00 0.00 -0.269 NA ATOM 97 H LIG 1 3.488 -1.890 9.054 0.00 0.00 +0.190 HD BRANCH 95 98 ATOM 98 N LIG 1 5.266 -2.866 7.874 0.00 0.00 -0.370 N ATOM 99 H LIG 1 5.659 -3.671 7.400 0.00 0.00 +0.159 HD ATOM 100 H LIG 1 5.272 -3.039 8.873 0.00 0.00 +0.159 HD ENDBRANCH 95 98 ENDBRANCH 93 95 ENDBRANCH 92 93 ENDBRANCH 91 92 ENDBRANCH 90 91 ENDBRANCH 6 90 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 103 ATOM 101 N LIG 1 5.008 -1.672 -1.527 0.00 0.00 -0.302 N ATOM 102 H LIG 1 4.934 -0.954 -0.810 0.00 0.00 +0.150 HD ATOM 103 C LIG 1 6.251 -2.292 -1.474 0.00 0.00 +0.234 C ATOM 104 O LIG 1 6.865 -2.705 -2.458 0.00 0.00 -0.274 OA BRANCH 101 105 ATOM 105 C LIG 1 4.389 -1.244 -2.795 0.00 0.00 +0.159 C BRANCH 105 108 ATOM 106 N LIG 1 2.595 -0.632 -1.204 0.00 0.00 -0.302 N ATOM 107 H LIG 1 2.976 -1.416 -0.662 0.00 0.00 +0.150 HD ATOM 108 C LIG 1 2.970 -0.654 -2.532 0.00 0.00 +0.234 C ATOM 109 O LIG 1 2.235 -0.234 -3.433 0.00 0.00 -0.274 OA BRANCH 106 110 ATOM 110 C LIG 1 1.318 -0.086 -0.766 0.00 0.00 +0.159 C BRANCH 110 113 ATOM 111 N LIG 1 0.009 1.982 -0.672 0.00 0.00 -0.302 N ATOM 112 H LIG 1 -0.777 1.327 -0.651 0.00 0.00 +0.150 HD ATOM 113 C LIG 1 1.275 1.465 -0.857 0.00 0.00 +0.234 C ATOM 114 O LIG 1 2.262 2.171 -1.073 0.00 0.00 -0.274 OA BRANCH 111 138 ATOM 115 C LIG 1 -2.548 8.325 0.014 0.00 0.00 +0.187 C ATOM 116 C LIG 1 -3.369 8.572 1.294 0.00 0.00 +0.236 C ATOM 117 O LIG 1 -4.301 9.376 1.338 0.00 0.00 -0.274 OA ATOM 118 N LIG 1 -3.068 7.909 2.447 0.00 0.00 -0.305 N ATOM 119 H LIG 1 -3.652 8.197 3.217 0.00 0.00 +0.149 HD ATOM 120 C LIG 1 -1.905 7.087 2.770 0.00 0.00 +0.200 C ATOM 121 C LIG 1 -2.194 6.349 4.083 0.00 0.00 +0.231 C ATOM 122 O LIG 1 -2.807 5.273 4.095 0.00 0.00 -0.274 OA ATOM 123 N LIG 1 -1.908 6.939 5.286 0.00 0.00 -0.303 N ATOM 124 H LIG 1 -2.255 6.402 6.070 0.00 0.00 +0.149 HD ATOM 125 C LIG 1 -0.949 8.008 5.582 0.00 0.00 +0.159 C ATOM 126 C LIG 1 -0.512 7.906 7.066 0.00 0.00 +0.234 C ATOM 127 O LIG 1 -0.453 8.886 7.817 0.00 0.00 -0.274 OA ATOM 128 N LIG 1 -0.088 6.715 7.597 0.00 0.00 -0.302 N ATOM 129 H LIG 1 0.216 6.828 8.559 0.00 0.00 +0.150 HD ATOM 130 C LIG 1 0.347 5.470 6.927 0.00 0.00 +0.164 C ATOM 131 C LIG 1 1.674 5.634 6.194 0.00 0.00 +0.090 C ATOM 132 C LIG 1 1.493 5.312 4.751 0.00 0.00 +0.085 A ATOM 133 N LIG 1 1.424 6.320 3.830 0.00 0.00 -0.134 NA ATOM 134 N LIG 1 1.013 5.798 2.683 0.00 0.00 -0.065 NA ATOM 135 N LIG 1 0.888 4.471 2.864 0.00 0.00 -0.251 N ATOM 136 C LIG 1 0.288 3.645 1.837 0.00 0.00 +0.147 C ATOM 137 C LIG 1 0.483 4.181 0.422 0.00 0.00 +0.055 C ATOM 138 C LIG 1 -0.317 3.401 -0.629 0.00 0.00 +0.161 C ATOM 139 C LIG 1 -0.333 4.170 -1.984 0.00 0.00 +0.234 C ATOM 140 O LIG 1 0.193 5.283 -2.113 0.00 0.00 -0.274 OA ATOM 141 N LIG 1 -1.116 3.782 -3.039 0.00 0.00 -0.302 N ATOM 142 H LIG 1 -0.965 4.409 -3.816 0.00 0.00 +0.150 HD ATOM 143 C LIG 1 -1.630 2.463 -3.417 0.00 0.00 +0.170 C ATOM 144 C LIG 1 -2.579 1.846 -2.361 0.00 0.00 +0.237 C ATOM 145 O LIG 1 -2.270 0.786 -1.790 0.00 0.00 -0.274 OA ATOM 146 N LIG 1 -3.761 2.500 -2.071 0.00 0.00 -0.286 N ATOM 147 C LIG 1 -4.241 3.792 -2.578 0.00 0.00 +0.165 C ATOM 148 C LIG 1 -5.764 3.642 -2.511 0.00 0.00 +0.070 C ATOM 149 C LIG 1 -5.947 2.866 -1.210 0.00 0.00 +0.186 C ATOM 150 F LIG 1 -5.847 3.742 -0.174 0.00 0.00 -0.244 F ATOM 151 C LIG 1 -3.771 4.979 -1.687 0.00 0.00 +0.234 C ATOM 152 O LIG 1 -3.152 4.863 -0.637 0.00 0.00 -0.274 OA ATOM 153 N LIG 1 -4.110 6.235 -2.155 0.00 0.00 -0.302 N ATOM 154 H LIG 1 -4.358 6.786 -1.335 0.00 0.00 +0.150 HD ATOM 155 C LIG 1 -3.023 6.988 -2.819 0.00 0.00 +0.159 C ATOM 156 C LIG 1 -3.126 8.474 -2.421 0.00 0.00 +0.234 C ATOM 157 O LIG 1 -2.878 9.408 -3.182 0.00 0.00 -0.274 OA ATOM 158 C LIG 1 -4.758 1.908 -1.186 0.00 0.00 +0.145 C ATOM 159 C LIG 1 1.208 4.112 4.142 0.00 0.00 +0.133 A ATOM 160 N LIG 1 -3.434 8.736 -1.106 0.00 0.00 -0.300 N ATOM 161 H LIG 1 -3.680 9.717 -0.980 0.00 0.00 +0.150 HD BRANCH 130 162 ATOM 162 C LIG 1 0.407 4.348 7.991 0.00 0.00 +0.231 C ATOM 163 O LIG 1 1.290 3.497 8.059 0.00 0.00 -0.274 OA ATOM 164 N LIG 1 -0.682 4.293 8.825 0.00 0.00 -0.328 N ATOM 165 H LIG 1 -0.756 3.493 9.436 0.00 0.00 +0.145 HD ATOM 166 H LIG 1 -1.526 4.822 8.632 0.00 0.00 +0.145 HD ENDBRANCH 130 162 BRANCH 115 168 ATOM 167 C LIG 1 -0.121 8.559 -0.776 0.00 0.00 +0.040 C ATOM 168 C LIG 1 -1.244 9.163 0.060 0.00 0.00 +0.141 C BRANCH 168 169 ATOM 169 O LIG 1 -1.489 10.494 -0.418 0.00 0.00 -0.390 OA ATOM 170 H LIG 1 -1.616 10.448 -1.388 0.00 0.00 +0.210 HD ENDBRANCH 168 169 ENDBRANCH 115 168 BRANCH 143 171 ATOM 171 C LIG 1 -0.502 1.549 -3.896 0.00 0.00 +0.152 C BRANCH 171 172 ATOM 172 C LIG 1 -1.036 0.263 -4.446 0.00 0.00 +0.307 C ATOM 173 O LIG 1 -2.175 0.124 -4.880 0.00 0.00 -0.251 OA BRANCH 172 174 ATOM 174 O LIG 1 -0.130 -0.740 -4.468 0.00 0.00 -0.481 OA ATOM 175 H LIG 1 0.772 -0.490 -4.135 0.00 0.00 +0.295 HD ENDBRANCH 172 174 ENDBRANCH 171 172 ENDBRANCH 143 171 BRANCH 155 176 ATOM 176 C LIG 1 -3.109 6.807 -4.342 0.00 0.00 +0.043 C BRANCH 176 177 ATOM 177 C LIG 1 -1.788 7.099 -5.062 0.00 0.00 +0.123 C BRANCH 177 178 ATOM 178 C LIG 1 -1.768 6.431 -6.407 0.00 0.00 +0.305 C ATOM 179 O LIG 1 -1.849 6.971 -7.496 0.00 0.00 -0.251 OA BRANCH 178 180 ATOM 180 O LIG 1 -1.648 5.081 -6.302 0.00 0.00 -0.481 OA ATOM 181 H LIG 1 -1.670 4.798 -7.249 0.00 0.00 +0.295 HD ENDBRANCH 178 180 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 155 176 BRANCH 125 182 ATOM 182 C LIG 1 -1.552 9.395 5.291 0.00 0.00 +0.043 C BRANCH 182 183 ATOM 183 C LIG 1 -0.468 10.424 4.957 0.00 0.00 +0.123 C BRANCH 183 184 ATOM 184 C LIG 1 -1.107 11.718 4.527 0.00 0.00 +0.305 C ATOM 185 O LIG 1 -2.062 12.264 5.053 0.00 0.00 -0.251 OA BRANCH 184 186 ATOM 186 O LIG 1 -0.528 12.234 3.425 0.00 0.00 -0.481 OA ATOM 187 H LIG 1 -1.070 13.029 3.232 0.00 0.00 +0.295 HD ENDBRANCH 184 186 ENDBRANCH 183 184 ENDBRANCH 182 183 ENDBRANCH 125 182 ENDBRANCH 111 138 ENDBRANCH 110 113 BRANCH 110 188 ATOM 188 C LIG 1 0.986 -0.540 0.657 0.00 0.00 +0.033 C BRANCH 188 189 ATOM 189 C LIG 1 2.052 -0.182 1.705 0.00 0.00 +0.023 C BRANCH 189 190 ATOM 190 C LIG 1 1.746 -0.826 3.057 0.00 0.00 +0.115 C BRANCH 190 191 ATOM 191 N LIG 1 0.912 0.035 3.890 0.00 0.00 -0.356 N ATOM 192 H LIG 1 0.078 0.385 3.417 0.00 0.00 +0.162 HD BRANCH 191 193 ATOM 193 C LIG 1 0.610 -0.285 5.175 0.00 0.00 +0.188 C ATOM 194 N LIG 1 -0.556 -0.029 5.654 0.00 0.00 -0.269 NA ATOM 195 H LIG 1 -0.566 -0.374 6.620 0.00 0.00 +0.190 HD BRANCH 193 196 ATOM 196 N LIG 1 1.583 -0.894 5.867 0.00 0.00 -0.370 N ATOM 197 H LIG 1 1.479 -0.984 6.877 0.00 0.00 +0.159 HD ATOM 198 H LIG 1 2.492 -0.473 5.703 0.00 0.00 +0.159 HD ENDBRANCH 193 196 ENDBRANCH 191 193 ENDBRANCH 190 191 ENDBRANCH 189 190 ENDBRANCH 188 189 ENDBRANCH 110 188 ENDBRANCH 106 110 ENDBRANCH 105 108 BRANCH 105 199 ATOM 199 C LIG 1 4.263 -2.343 -3.868 0.00 0.00 +0.033 C BRANCH 199 200 ATOM 200 C LIG 1 4.515 -1.876 -5.306 0.00 0.00 +0.023 C BRANCH 200 201 ATOM 201 C LIG 1 5.883 -1.209 -5.537 0.00 0.00 +0.115 C BRANCH 201 202 ATOM 202 N LIG 1 5.771 0.239 -5.439 0.00 0.00 -0.356 N ATOM 203 H LIG 1 4.871 0.606 -5.726 0.00 0.00 +0.162 HD BRANCH 202 204 ATOM 204 C LIG 1 6.514 1.043 -4.652 0.00 0.00 +0.188 C ATOM 205 N LIG 1 6.121 2.211 -4.259 0.00 0.00 -0.269 NA ATOM 206 H LIG 1 5.183 2.379 -4.639 0.00 0.00 +0.190 HD BRANCH 204 207 ATOM 207 N LIG 1 7.740 0.621 -4.306 0.00 0.00 -0.370 N ATOM 208 H LIG 1 8.205 0.128 -5.055 0.00 0.00 +0.159 HD ATOM 209 H LIG 1 8.302 1.408 -4.002 0.00 0.00 +0.159 HD ENDBRANCH 204 207 ENDBRANCH 202 204 ENDBRANCH 201 202 ENDBRANCH 200 201 ENDBRANCH 199 200 ENDBRANCH 105 199 ENDBRANCH 101 105 ENDBRANCH 1 103 BRANCH 1 210 ATOM 210 C LIG 1 8.262 -2.334 0.109 0.00 0.00 +0.033 C BRANCH 210 211 ATOM 211 C LIG 1 8.778 -0.962 -0.310 0.00 0.00 +0.023 C BRANCH 211 212 ATOM 212 C LIG 1 7.982 0.206 0.252 0.00 0.00 +0.115 C BRANCH 212 213 ATOM 213 N LIG 1 7.015 0.663 -0.748 0.00 0.00 -0.356 N ATOM 214 H LIG 1 7.486 0.904 -1.622 0.00 0.00 +0.162 HD BRANCH 213 215 ATOM 215 C LIG 1 6.104 1.600 -0.401 0.00 0.00 +0.188 C ATOM 216 N LIG 1 5.556 1.686 0.767 0.00 0.00 -0.269 NA ATOM 217 H LIG 1 4.962 2.522 0.764 0.00 0.00 +0.190 HD BRANCH 215 218 ATOM 218 N LIG 1 5.850 2.482 -1.378 0.00 0.00 -0.370 N ATOM 219 H LIG 1 5.996 2.199 -2.350 0.00 0.00 +0.159 HD ATOM 220 H LIG 1 5.011 3.042 -1.285 0.00 0.00 +0.159 HD ENDBRANCH 215 218 ENDBRANCH 213 215 ENDBRANCH 212 213 ENDBRANCH 211 212 ENDBRANCH 210 211 ENDBRANCH 1 210 TORSDOF 87