REMARK Name = BDB060473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.975 -0.255 -7.489 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -0.147 -0.170 -6.237 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.318 0.395 -5.518 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 0.625 -0.924 -7.107 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.210 -1.950 -7.664 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -1.579 -0.399 -6.166 0.00 0.00 +0.168 C BRANCH 6 9 ATOM 7 N LIG 1 -3.275 1.293 -6.577 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -3.328 0.825 -7.484 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -2.312 0.885 -5.687 0.00 0.00 +0.235 C ATOM 10 O LIG 1 -2.027 1.450 -4.633 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.124 2.475 -6.396 0.00 0.00 +0.159 C BRANCH 11 14 ATOM 12 N LIG 1 -6.344 1.428 -6.729 0.00 0.00 -0.302 N ATOM 13 H LIG 1 -6.347 1.777 -7.693 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -5.438 1.898 -5.802 0.00 0.00 +0.234 C ATOM 15 O LIG 1 -5.530 1.630 -4.604 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 -7.250 0.317 -6.446 0.00 0.00 +0.162 C BRANCH 16 17 ATOM 17 C LIG 1 -7.020 -0.686 -7.607 0.00 0.00 +0.234 C ATOM 18 N LIG 1 -5.672 -1.006 -7.723 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -5.165 -0.764 -6.883 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -7.907 -1.076 -8.375 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 C LIG 1 -5.251 -2.259 -8.353 0.00 0.00 +0.156 C ATOM 22 C LIG 1 -4.081 -1.985 -9.284 0.00 0.00 +0.038 C BRANCH 21 23 ATOM 23 C LIG 1 -4.887 -3.201 -7.172 0.00 0.00 +0.233 C ATOM 24 N LIG 1 -4.096 -4.292 -7.420 0.00 0.00 -0.305 N ATOM 25 H LIG 1 -3.889 -4.595 -8.378 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -5.281 -2.944 -6.024 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.662 -5.179 -6.356 0.00 0.00 +0.200 C BRANCH 27 28 ATOM 28 C LIG 1 -4.755 -6.207 -6.032 0.00 0.00 +0.231 C ATOM 29 N LIG 1 -5.483 -6.101 -4.891 0.00 0.00 -0.305 N ATOM 30 H LIG 1 -6.140 -6.860 -4.776 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 -5.020 -7.095 -6.851 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.373 -5.159 -3.785 0.00 0.00 +0.200 C BRANCH 32 33 ATOM 33 C LIG 1 -4.543 -5.670 -2.604 0.00 0.00 +0.231 C ATOM 34 N LIG 1 -4.393 -4.721 -1.606 0.00 0.00 -0.305 N ATOM 35 H LIG 1 -5.050 -3.943 -1.622 0.00 0.00 +0.149 HD ATOM 36 O LIG 1 -4.057 -6.796 -2.553 0.00 0.00 -0.274 OA BRANCH 34 37 ATOM 37 C LIG 1 -3.912 -5.120 -0.288 0.00 0.00 +0.200 C BRANCH 37 38 ATOM 38 C LIG 1 -5.090 -5.496 0.652 0.00 0.00 +0.231 C ATOM 39 N LIG 1 -4.782 -5.794 1.955 0.00 0.00 -0.305 N ATOM 40 H LIG 1 -5.588 -6.077 2.498 0.00 0.00 +0.149 HD ATOM 41 O LIG 1 -6.252 -5.575 0.258 0.00 0.00 -0.274 OA BRANCH 39 42 ATOM 42 C LIG 1 -3.661 -5.227 2.701 0.00 0.00 +0.200 C BRANCH 42 43 ATOM 43 C LIG 1 -3.876 -5.343 4.213 0.00 0.00 +0.231 C ATOM 44 N LIG 1 -3.576 -4.184 4.891 0.00 0.00 -0.303 N ATOM 45 H LIG 1 -3.519 -3.296 4.387 0.00 0.00 +0.149 HD ATOM 46 O LIG 1 -4.205 -6.399 4.766 0.00 0.00 -0.274 OA BRANCH 44 47 ATOM 47 C LIG 1 -3.795 -4.071 6.334 0.00 0.00 +0.159 C BRANCH 47 48 ATOM 48 C LIG 1 -5.322 -3.885 6.581 0.00 0.00 +0.231 C ATOM 49 O LIG 1 -5.902 -2.810 6.601 0.00 0.00 -0.274 OA ATOM 50 N LIG 1 -6.032 -5.074 6.577 0.00 0.00 -0.328 N ATOM 51 H LIG 1 -6.860 -5.176 7.173 0.00 0.00 +0.145 HD ATOM 52 H LIG 1 -5.477 -5.924 6.448 0.00 0.00 +0.145 HD ENDBRANCH 47 48 BRANCH 47 53 ATOM 53 C LIG 1 -2.961 -2.913 6.926 0.00 0.00 +0.032 C BRANCH 53 54 ATOM 54 C LIG 1 -1.916 -3.427 7.942 0.00 0.00 +0.004 C BRANCH 54 55 ATOM 55 C LIG 1 -0.926 -2.342 8.376 0.00 0.00 +0.019 C BRANCH 55 56 ATOM 56 C LIG 1 -1.528 -1.361 9.392 0.00 0.00 +0.104 C BRANCH 56 57 ATOM 57 N LIG 1 -0.987 -0.024 9.257 0.00 0.00 -0.311 N ATOM 58 H LIG 1 -0.803 0.299 8.315 0.00 0.00 +0.149 HD ATOM 59 C LIG 1 -1.284 0.941 10.203 0.00 0.00 +0.244 C ATOM 60 O LIG 1 -1.790 0.697 11.297 0.00 0.00 -0.270 OA BRANCH 59 61 ATOM 61 C LIG 1 -1.038 2.339 9.789 0.00 0.00 +0.037 A ATOM 62 C LIG 1 -1.966 3.317 10.124 0.00 0.00 +0.028 A ATOM 63 C LIG 1 -1.750 4.593 9.626 0.00 0.00 +0.067 A ATOM 64 C LIG 1 -2.572 5.772 9.825 0.00 0.00 +0.341 C ATOM 65 O LIG 1 -1.969 6.800 9.181 0.00 0.00 -0.440 OA ATOM 66 C LIG 1 -0.764 6.375 8.459 0.00 0.00 +0.196 C ATOM 67 C LIG 1 0.368 7.258 8.941 0.00 0.00 +0.047 A ATOM 68 C LIG 1 0.764 8.347 8.167 0.00 0.00 +0.140 A ATOM 69 C LIG 1 1.775 9.211 8.602 0.00 0.00 +0.092 A ATOM 70 C LIG 1 2.386 8.989 9.826 0.00 0.00 +0.120 A ATOM 71 C LIG 1 2.012 7.925 10.622 0.00 0.00 +0.046 A ATOM 72 O LIG 1 0.208 8.659 6.942 0.00 0.00 -0.455 OA ATOM 73 C LIG 1 -0.641 7.744 6.359 0.00 0.00 +0.140 A ATOM 74 C LIG 1 -1.068 8.062 5.075 0.00 0.00 +0.092 A ATOM 75 C LIG 1 -1.917 7.204 4.391 0.00 0.00 +0.120 A ATOM 76 C LIG 1 -2.328 6.012 4.969 0.00 0.00 +0.046 A ATOM 77 C LIG 1 -1.921 5.709 6.264 0.00 0.00 +0.015 A ATOM 78 C LIG 1 0.992 7.067 10.191 0.00 0.00 +0.015 A ATOM 79 C LIG 1 -1.102 6.584 6.998 0.00 0.00 +0.047 A ATOM 80 O LIG 1 -3.623 5.817 10.428 0.00 0.00 -0.245 OA ATOM 81 C LIG 1 -0.649 4.931 8.866 0.00 0.00 +0.019 A ATOM 82 C LIG 1 0.300 3.966 8.549 0.00 0.00 +0.010 A ATOM 83 C LIG 1 0.095 2.670 9.047 0.00 0.00 +0.013 A BRANCH 70 84 ATOM 84 O LIG 1 3.354 9.832 10.297 0.00 0.00 -0.507 OA ATOM 85 H LIG 1 3.086 10.746 10.083 0.00 0.00 +0.292 HD ENDBRANCH 70 84 BRANCH 75 86 ATOM 86 O LIG 1 -2.371 7.490 3.145 0.00 0.00 -0.507 OA ATOM 87 H LIG 1 -2.251 8.450 3.003 0.00 0.00 +0.292 HD ENDBRANCH 75 86 ENDBRANCH 59 61 ENDBRANCH 56 57 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 53 54 ENDBRANCH 47 53 ENDBRANCH 44 47 ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 16 17 BRANCH 16 88 ATOM 88 C LIG 1 -8.720 0.730 -6.181 0.00 0.00 +0.015 C ATOM 89 C LIG 1 -8.902 1.047 -4.682 0.00 0.00 +0.010 C BRANCH 88 91 ATOM 90 C LIG 1 -10.646 2.316 -6.860 0.00 0.00 +0.004 C ATOM 91 C LIG 1 -9.215 1.850 -7.109 0.00 0.00 +0.002 C ENDBRANCH 88 91 ENDBRANCH 16 88 ENDBRANCH 12 16 ENDBRANCH 11 14 BRANCH 11 92 ATOM 92 C LIG 1 -4.181 3.171 -7.756 0.00 0.00 +0.032 C BRANCH 92 93 ATOM 93 C LIG 1 -5.172 4.335 -7.898 0.00 0.00 +0.003 C BRANCH 93 94 ATOM 94 C LIG 1 -5.558 4.524 -9.380 0.00 0.00 +0.015 C BRANCH 94 95 ATOM 95 C LIG 1 -6.791 3.716 -9.811 0.00 0.00 +0.077 C BRANCH 95 96 ATOM 96 N LIG 1 -6.647 2.275 -9.549 0.00 0.00 -0.330 NA ATOM 97 H LIG 1 -5.896 1.917 -10.137 0.00 0.00 +0.118 HD ATOM 98 H LIG 1 -7.500 1.809 -9.875 0.00 0.00 +0.118 HD ENDBRANCH 95 96 ENDBRANCH 94 95 ENDBRANCH 93 94 ENDBRANCH 92 93 ENDBRANCH 11 92 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 99 ATOM 99 C LIG 1 -2.049 -1.626 -5.369 0.00 0.00 +0.097 C BRANCH 99 100 ATOM 100 S LIG 1 -1.518 -1.696 -3.634 0.00 0.00 -0.176 S ATOM 101 H LIG 1 -2.069 -2.897 -3.355 0.00 0.00 +0.102 HD ENDBRANCH 99 100 ENDBRANCH 6 99 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 102 ATOM 102 N LIG 1 2.632 0.465 -6.408 0.00 0.00 -0.302 N ATOM 103 H LIG 1 2.491 0.177 -5.447 0.00 0.00 +0.150 HD ATOM 104 C LIG 1 3.055 1.752 -6.633 0.00 0.00 +0.234 C ATOM 105 O LIG 1 3.231 2.188 -7.778 0.00 0.00 -0.274 OA BRANCH 104 106 ATOM 106 C LIG 1 3.377 2.614 -5.382 0.00 0.00 +0.159 C BRANCH 106 107 ATOM 107 N LIG 1 2.749 2.098 -4.173 0.00 0.00 -0.302 N ATOM 108 H LIG 1 3.340 1.699 -3.434 0.00 0.00 +0.150 HD ATOM 109 C LIG 1 1.406 2.340 -3.967 0.00 0.00 +0.234 C ATOM 110 O LIG 1 0.705 2.846 -4.837 0.00 0.00 -0.274 OA BRANCH 109 111 ATOM 111 C LIG 1 0.804 1.827 -2.627 0.00 0.00 +0.159 C BRANCH 111 112 ATOM 112 N LIG 1 0.892 0.370 -2.597 0.00 0.00 -0.302 N ATOM 113 H LIG 1 0.022 -0.143 -2.736 0.00 0.00 +0.150 HD ATOM 114 C LIG 1 2.042 -0.297 -2.291 0.00 0.00 +0.234 C ATOM 115 O LIG 1 3.079 0.275 -1.962 0.00 0.00 -0.274 OA BRANCH 114 116 ATOM 116 C LIG 1 2.018 -1.828 -2.454 0.00 0.00 +0.159 C BRANCH 116 117 ATOM 117 N LIG 1 3.423 -2.224 -2.349 0.00 0.00 -0.302 N ATOM 118 H LIG 1 3.915 -1.744 -1.598 0.00 0.00 +0.150 HD ATOM 119 C LIG 1 4.223 -2.305 -3.480 0.00 0.00 +0.234 C ATOM 120 O LIG 1 3.754 -2.209 -4.603 0.00 0.00 -0.274 OA BRANCH 119 121 ATOM 121 C LIG 1 5.731 -2.483 -3.150 0.00 0.00 +0.159 C BRANCH 121 122 ATOM 122 N LIG 1 5.810 -3.143 -1.843 0.00 0.00 -0.302 N ATOM 123 H LIG 1 4.961 -3.616 -1.552 0.00 0.00 +0.150 HD ATOM 124 C LIG 1 6.943 -3.139 -1.075 0.00 0.00 +0.234 C ATOM 125 O LIG 1 7.993 -2.645 -1.487 0.00 0.00 -0.274 OA BRANCH 124 126 ATOM 126 C LIG 1 6.811 -3.650 0.380 0.00 0.00 +0.163 C BRANCH 126 127 ATOM 127 N LIG 1 6.838 -2.447 1.208 0.00 0.00 -0.302 N ATOM 128 H LIG 1 6.003 -1.878 1.300 0.00 0.00 +0.150 HD ATOM 129 C LIG 1 8.044 -1.894 1.607 0.00 0.00 +0.235 C ATOM 130 O LIG 1 9.085 -2.553 1.603 0.00 0.00 -0.274 OA BRANCH 129 131 ATOM 131 C LIG 1 7.948 -0.403 2.024 0.00 0.00 +0.168 C BRANCH 131 132 ATOM 132 N LIG 1 6.574 -0.107 2.512 0.00 0.00 -0.302 N ATOM 133 H LIG 1 6.399 -0.566 3.405 0.00 0.00 +0.150 HD ATOM 134 C LIG 1 5.987 1.132 2.351 0.00 0.00 +0.234 C ATOM 135 O LIG 1 6.491 2.050 1.703 0.00 0.00 -0.274 OA BRANCH 134 136 ATOM 136 C LIG 1 4.699 1.312 3.189 0.00 0.00 +0.159 C BRANCH 136 137 ATOM 137 N LIG 1 3.950 2.551 2.919 0.00 0.00 -0.302 N ATOM 138 H LIG 1 4.538 3.305 2.555 0.00 0.00 +0.150 HD ATOM 139 C LIG 1 3.050 2.928 3.871 0.00 0.00 +0.234 C ATOM 140 O LIG 1 3.185 2.644 5.064 0.00 0.00 -0.274 OA BRANCH 139 141 ATOM 141 C LIG 1 1.839 3.747 3.361 0.00 0.00 +0.160 C BRANCH 141 142 ATOM 142 N LIG 1 0.753 3.704 4.361 0.00 0.00 -0.302 N ATOM 143 H LIG 1 0.248 4.588 4.325 0.00 0.00 +0.150 HD ATOM 144 C LIG 1 -0.216 2.747 4.123 0.00 0.00 +0.234 C ATOM 145 O LIG 1 -1.122 2.994 3.341 0.00 0.00 -0.274 OA BRANCH 144 146 ATOM 146 C LIG 1 0.004 1.332 4.723 0.00 0.00 +0.156 C ATOM 147 C LIG 1 -1.356 0.736 5.081 0.00 0.00 +0.038 C BRANCH 146 148 ATOM 148 N LIG 1 0.900 1.272 5.866 0.00 0.00 -0.303 N ATOM 149 H LIG 1 1.432 2.113 6.095 0.00 0.00 +0.149 HD ATOM 150 C LIG 1 1.538 0.090 6.169 0.00 0.00 +0.227 C ATOM 151 O LIG 1 1.207 -0.989 5.670 0.00 0.00 -0.274 OA BRANCH 150 152 ATOM 152 C LIG 1 2.728 0.178 7.156 0.00 0.00 +0.174 C BRANCH 152 153 ATOM 153 N LIG 1 3.059 1.555 7.547 0.00 0.00 -0.322 NA ATOM 154 H LIG 1 3.384 2.059 6.709 0.00 0.00 +0.119 HD ATOM 155 H LIG 1 3.853 1.529 8.183 0.00 0.00 +0.119 HD ENDBRANCH 152 153 ENDBRANCH 150 152 ENDBRANCH 146 148 ENDBRANCH 144 146 ENDBRANCH 141 142 BRANCH 141 156 ATOM 156 C LIG 1 2.282 5.173 2.993 0.00 0.00 +0.042 C BRANCH 156 157 ATOM 157 C LIG 1 1.156 5.980 2.332 0.00 0.00 +0.071 C BRANCH 157 158 ATOM 158 S LIG 1 1.833 7.409 1.435 0.00 0.00 -0.164 S ATOM 159 C LIG 1 0.283 8.047 0.747 0.00 0.00 +0.084 C ENDBRANCH 157 158 ENDBRANCH 156 157 ENDBRANCH 141 156 ENDBRANCH 139 141 ENDBRANCH 136 137 BRANCH 136 160 ATOM 160 C LIG 1 3.735 0.107 3.042 0.00 0.00 +0.043 C BRANCH 160 161 ATOM 161 C LIG 1 3.040 0.014 1.689 0.00 0.00 +0.123 C BRANCH 161 162 ATOM 162 C LIG 1 1.797 -0.827 1.835 0.00 0.00 +0.305 C ATOM 163 O LIG 1 0.661 -0.492 1.523 0.00 0.00 -0.251 OA BRANCH 162 164 ATOM 164 O LIG 1 2.084 -2.050 2.293 0.00 0.00 -0.481 OA ATOM 165 H LIG 1 1.223 -2.544 2.427 0.00 0.00 +0.295 HD ENDBRANCH 162 164 ENDBRANCH 161 162 ENDBRANCH 160 161 ENDBRANCH 136 160 ENDBRANCH 134 136 ENDBRANCH 131 132 BRANCH 131 166 ATOM 166 C LIG 1 9.003 -0.068 3.083 0.00 0.00 +0.097 C BRANCH 166 167 ATOM 167 S LIG 1 8.702 -0.983 4.661 0.00 0.00 -0.176 S ATOM 168 H LIG 1 9.700 -0.412 5.371 0.00 0.00 +0.102 HD ENDBRANCH 166 167 ENDBRANCH 131 166 ENDBRANCH 129 131 ENDBRANCH 126 127 BRANCH 126 169 ATOM 169 C LIG 1 5.550 -4.502 0.605 0.00 0.00 +0.069 C BRANCH 169 170 ATOM 170 C LIG 1 5.582 -5.416 1.790 0.00 0.00 -0.020 A ATOM 171 C LIG 1 4.986 -5.204 3.087 0.00 0.00 +0.003 A ATOM 172 C LIG 1 5.147 -6.402 3.796 0.00 0.00 +0.047 A ATOM 173 C LIG 1 4.627 -6.591 5.078 0.00 0.00 +0.026 A ATOM 174 C LIG 1 3.916 -5.539 5.648 0.00 0.00 +0.002 A ATOM 175 C LIG 1 3.748 -4.329 4.976 0.00 0.00 +0.001 A ATOM 176 N LIG 1 5.861 -7.267 3.003 0.00 0.00 -0.360 N ATOM 177 H LIG 1 6.125 -8.191 3.294 0.00 0.00 +0.165 HD ATOM 178 C LIG 1 4.266 -4.150 3.679 0.00 0.00 +0.010 A ATOM 179 C LIG 1 6.146 -6.679 1.805 0.00 0.00 +0.087 A ENDBRANCH 169 170 ENDBRANCH 126 169 ENDBRANCH 124 126 ENDBRANCH 121 122 BRANCH 121 180 ATOM 180 C LIG 1 6.432 -3.286 -4.258 0.00 0.00 +0.034 C BRANCH 180 181 ATOM 181 C LIG 1 7.178 -2.365 -5.250 0.00 0.00 -0.015 C ATOM 182 C LIG 1 7.427 -3.088 -6.574 0.00 0.00 +0.007 C ATOM 183 C LIG 1 8.507 -1.880 -4.661 0.00 0.00 +0.007 C ENDBRANCH 180 181 ENDBRANCH 121 180 ENDBRANCH 119 121 ENDBRANCH 116 117 BRANCH 116 184 ATOM 184 C LIG 1 1.218 -2.495 -1.344 0.00 0.00 +0.032 C BRANCH 184 185 ATOM 185 C LIG 1 1.083 -4.006 -1.581 0.00 0.00 +0.003 C BRANCH 185 186 ATOM 186 C LIG 1 0.129 -4.706 -0.619 0.00 0.00 +0.015 C BRANCH 186 187 ATOM 187 C LIG 1 0.515 -4.578 0.863 0.00 0.00 +0.077 C BRANCH 187 188 ATOM 188 N LIG 1 -0.181 -3.456 1.528 0.00 0.00 -0.330 NA ATOM 189 H LIG 1 -1.184 -3.659 1.478 0.00 0.00 +0.118 HD ATOM 190 H LIG 1 -0.082 -2.601 0.954 0.00 0.00 +0.118 HD ENDBRANCH 187 188 ENDBRANCH 186 187 ENDBRANCH 185 186 ENDBRANCH 184 185 ENDBRANCH 116 184 ENDBRANCH 114 116 ENDBRANCH 111 112 BRANCH 111 191 ATOM 191 C LIG 1 1.403 2.530 -1.395 0.00 0.00 +0.043 C BRANCH 191 192 ATOM 192 C LIG 1 0.734 3.857 -1.045 0.00 0.00 +0.123 C BRANCH 192 193 ATOM 193 C LIG 1 -0.646 3.745 -0.441 0.00 0.00 +0.305 C ATOM 194 O LIG 1 -1.476 4.652 -0.481 0.00 0.00 -0.251 OA BRANCH 193 195 ATOM 195 O LIG 1 -0.837 2.631 0.285 0.00 0.00 -0.481 OA ATOM 196 H LIG 1 -1.695 2.758 0.746 0.00 0.00 +0.295 HD ENDBRANCH 193 195 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 111 191 ENDBRANCH 109 111 ENDBRANCH 106 107 BRANCH 106 197 ATOM 197 C LIG 1 4.902 2.805 -5.284 0.00 0.00 +0.041 C BRANCH 197 198 ATOM 198 C LIG 1 5.322 3.857 -4.243 0.00 0.00 +0.098 C BRANCH 198 199 ATOM 199 C LIG 1 5.359 3.283 -2.844 0.00 0.00 +0.211 C ATOM 200 O LIG 1 5.141 2.100 -2.586 0.00 0.00 -0.276 OA ATOM 201 N LIG 1 5.582 4.178 -1.843 0.00 0.00 -0.329 N ATOM 202 H LIG 1 5.754 3.752 -0.931 0.00 0.00 +0.145 HD ATOM 203 H LIG 1 6.009 5.069 -2.007 0.00 0.00 +0.145 HD ENDBRANCH 198 199 ENDBRANCH 197 198 ENDBRANCH 106 197 ENDBRANCH 104 106 ENDBRANCH 1 102 BRANCH 1 204 ATOM 204 C LIG 1 2.888 -1.184 -8.294 0.00 0.00 +0.043 C BRANCH 204 205 ATOM 205 C LIG 1 3.188 -2.534 -7.643 0.00 0.00 +0.123 C BRANCH 205 206 ATOM 206 C LIG 1 2.864 -3.669 -8.581 0.00 0.00 +0.305 C ATOM 207 O LIG 1 3.698 -4.255 -9.258 0.00 0.00 -0.251 OA BRANCH 206 208 ATOM 208 O LIG 1 1.550 -3.986 -8.632 0.00 0.00 -0.481 OA ATOM 209 H LIG 1 0.959 -3.354 -8.156 0.00 0.00 +0.295 HD ENDBRANCH 206 208 ENDBRANCH 205 206 ENDBRANCH 204 205 ENDBRANCH 1 204 TORSDOF 86