REMARK Name = BDB058935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -4.471 -5.614 -2.632 0.00 0.00 +0.233 C ATOM 2 N UNK A 1 -4.394 -6.316 -3.829 0.00 0.00 -0.314 N ATOM 3 H UNK A 1 -4.205 -7.303 -3.763 0.00 0.00 +0.149 HD ATOM 4 O UNK A 1 -5.084 -4.556 -2.506 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C UNK A 1 -3.575 -6.227 -1.524 0.00 0.00 +0.159 C BRANCH 5 7 ATOM 6 C UNK A 1 -1.506 -4.781 -1.493 0.00 0.00 +0.234 C ATOM 7 N UNK A 1 -2.204 -5.878 -1.942 0.00 0.00 -0.302 N ATOM 8 H UNK A 1 -2.045 -6.046 -2.933 0.00 0.00 +0.150 HD ATOM 9 O UNK A 1 -1.542 -4.364 -0.339 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 C UNK A 1 -0.818 -3.958 -2.608 0.00 0.00 +0.159 C BRANCH 10 12 ATOM 11 C UNK A 1 0.971 -5.043 -3.992 0.00 0.00 +0.234 C ATOM 12 N UNK A 1 -0.351 -4.781 -3.749 0.00 0.00 -0.302 N ATOM 13 H UNK A 1 -0.695 -4.383 -4.633 0.00 0.00 +0.150 HD ATOM 14 O UNK A 1 1.431 -4.677 -5.079 0.00 0.00 -0.274 OA BRANCH 11 15 ATOM 15 C UNK A 1 1.869 -5.689 -2.920 0.00 0.00 +0.159 C BRANCH 15 17 ATOM 16 C UNK A 1 1.764 -7.103 -0.864 0.00 0.00 +0.234 C ATOM 17 N UNK A 1 1.146 -6.478 -1.923 0.00 0.00 -0.302 N ATOM 18 H UNK A 1 0.405 -7.063 -2.291 0.00 0.00 +0.150 HD ATOM 19 O UNK A 1 1.408 -8.251 -0.600 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C UNK A 1 2.956 -6.391 -0.151 0.00 0.00 +0.159 C BRANCH 20 22 ATOM 21 C UNK A 1 3.357 -3.959 0.523 0.00 0.00 +0.234 C ATOM 22 N UNK A 1 2.568 -5.038 0.272 0.00 0.00 -0.302 N ATOM 23 H UNK A 1 1.610 -4.924 0.585 0.00 0.00 +0.150 HD ATOM 24 O UNK A 1 2.833 -2.946 1.001 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C UNK A 1 4.852 -3.947 0.150 0.00 0.00 +0.159 C BRANCH 25 27 ATOM 26 C UNK A 1 4.793 -3.279 -2.195 0.00 0.00 +0.234 C ATOM 27 N UNK A 1 4.961 -2.898 -0.876 0.00 0.00 -0.302 N ATOM 28 H UNK A 1 4.581 -1.988 -0.613 0.00 0.00 +0.150 HD ATOM 29 O UNK A 1 4.859 -4.457 -2.539 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C UNK A 1 4.277 -2.180 -3.147 0.00 0.00 +0.159 C BRANCH 30 32 ATOM 31 C UNK A 1 3.903 0.215 -2.534 0.00 0.00 +0.234 C ATOM 32 N UNK A 1 4.746 -0.832 -2.816 0.00 0.00 -0.302 N ATOM 33 H UNK A 1 5.518 -0.502 -3.386 0.00 0.00 +0.150 HD ATOM 34 O UNK A 1 4.199 1.326 -2.978 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C UNK A 1 2.718 -0.010 -1.566 0.00 0.00 +0.159 C BRANCH 35 37 ATOM 36 C UNK A 1 3.544 1.208 0.566 0.00 0.00 +0.234 C ATOM 37 N UNK A 1 3.160 0.109 -0.171 0.00 0.00 -0.302 N ATOM 38 H UNK A 1 2.843 -0.625 0.462 0.00 0.00 +0.150 HD ATOM 39 O UNK A 1 3.701 1.041 1.776 0.00 0.00 -0.274 OA BRANCH 36 40 ATOM 40 C UNK A 1 3.856 2.556 -0.134 0.00 0.00 +0.159 C BRANCH 40 42 ATOM 41 C UNK A 1 1.859 3.784 0.566 0.00 0.00 +0.234 C ATOM 42 N UNK A 1 3.241 3.744 0.456 0.00 0.00 -0.302 N ATOM 43 H UNK A 1 3.728 4.622 0.296 0.00 0.00 +0.150 HD ATOM 44 O UNK A 1 1.198 2.774 0.817 0.00 0.00 -0.274 OA BRANCH 41 45 ATOM 45 C UNK A 1 1.167 5.084 0.048 0.00 0.00 +0.159 C BRANCH 45 47 ATOM 46 C UNK A 1 0.774 5.585 -2.478 0.00 0.00 +0.231 C ATOM 47 N UNK A 1 1.240 4.898 -1.417 0.00 0.00 -0.303 N ATOM 48 H UNK A 1 1.321 3.925 -1.691 0.00 0.00 +0.149 HD ATOM 49 O UNK A 1 0.650 4.929 -3.519 0.00 0.00 -0.274 OA BRANCH 46 50 ATOM 50 C UNK A 1 0.319 7.039 -2.470 0.00 0.00 +0.200 C BRANCH 50 52 ATOM 51 C UNK A 1 0.955 9.309 -1.565 0.00 0.00 +0.234 C ATOM 52 N UNK A 1 0.865 7.940 -1.487 0.00 0.00 -0.305 N ATOM 53 H UNK A 1 0.909 7.617 -0.539 0.00 0.00 +0.149 HD ATOM 54 O UNK A 1 1.309 9.892 -0.536 0.00 0.00 -0.274 OA BRANCH 51 55 ATOM 55 C UNK A 1 0.848 9.995 -2.961 0.00 0.00 +0.163 C BRANCH 55 58 ATOM 56 C UNK A 1 -2.754 9.841 -4.145 0.00 0.00 +0.109 C ATOM 57 C UNK A 1 -1.613 10.066 -3.196 0.00 0.00 +0.211 C ATOM 58 N UNK A 1 -0.392 9.665 -3.675 0.00 0.00 -0.304 N ATOM 59 H UNK A 1 -0.314 9.514 -4.674 0.00 0.00 +0.149 HD ATOM 60 O UNK A 1 -1.764 10.580 -2.092 0.00 0.00 -0.276 OA ENDBRANCH 55 58 BRANCH 55 61 ATOM 61 C UNK A 1 1.096 11.516 -2.925 0.00 0.00 +0.067 C BRANCH 61 62 ATOM 62 C UNK A 1 2.490 11.877 -3.412 0.00 0.00 -0.045 A ATOM 63 C UNK A 1 2.858 11.656 -4.747 0.00 0.00 +0.007 A ATOM 64 C UNK A 1 4.150 11.957 -5.192 0.00 0.00 +0.045 A ATOM 65 C UNK A 1 5.069 12.492 -4.294 0.00 0.00 +0.117 A ATOM 66 C UNK A 1 4.716 12.738 -2.976 0.00 0.00 +0.045 A ATOM 67 C UNK A 1 3.423 12.435 -2.536 0.00 0.00 +0.007 A BRANCH 65 68 ATOM 68 O UNK A 1 6.339 12.804 -4.684 0.00 0.00 -0.507 OA ATOM 69 H UNK A 1 6.453 12.545 -5.610 0.00 0.00 +0.292 HD ENDBRANCH 65 68 ENDBRANCH 61 62 ENDBRANCH 55 61 ENDBRANCH 51 55 ENDBRANCH 50 52 ENDBRANCH 46 50 ENDBRANCH 45 47 BRANCH 45 70 ATOM 70 C UNK A 1 -0.315 5.165 0.480 0.00 0.00 +0.033 C BRANCH 70 71 ATOM 71 C UNK A 1 -0.553 5.845 1.831 0.00 0.00 +0.023 C BRANCH 71 72 ATOM 72 C UNK A 1 -0.408 7.360 1.739 0.00 0.00 +0.115 C BRANCH 72 73 ATOM 73 N UNK A 1 -0.726 8.031 2.981 0.00 0.00 -0.356 N ATOM 74 H UNK A 1 -1.073 7.430 3.740 0.00 0.00 +0.162 HD BRANCH 73 75 ATOM 75 C UNK A 1 -1.295 9.257 3.045 0.00 0.00 +0.188 C ATOM 76 N UNK A 1 -2.004 9.590 4.064 0.00 0.00 -0.269 NA ATOM 77 H UNK A 1 -2.402 10.516 3.905 0.00 0.00 +0.190 HD BRANCH 75 78 ATOM 78 N UNK A 1 -1.122 10.067 1.985 0.00 0.00 -0.370 N ATOM 79 H UNK A 1 -1.377 11.034 2.124 0.00 0.00 +0.159 HD ATOM 80 H UNK A 1 -0.227 9.987 1.512 0.00 0.00 +0.159 HD ENDBRANCH 75 78 ENDBRANCH 73 75 ENDBRANCH 72 73 ENDBRANCH 71 72 ENDBRANCH 70 71 ENDBRANCH 45 70 ENDBRANCH 41 45 ENDBRANCH 40 42 BRANCH 40 81 ATOM 81 C UNK A 1 5.374 2.686 -0.354 0.00 0.00 +0.032 C BRANCH 81 82 ATOM 82 C UNK A 1 6.221 2.953 0.890 0.00 0.00 +0.003 C BRANCH 82 83 ATOM 83 C UNK A 1 7.708 2.625 0.667 0.00 0.00 +0.015 C BRANCH 83 84 ATOM 84 C UNK A 1 8.400 3.417 -0.444 0.00 0.00 +0.077 C BRANCH 84 85 ATOM 85 N UNK A 1 8.458 4.837 -0.137 0.00 0.00 -0.330 NA ATOM 86 H UNK A 1 8.896 5.331 -0.920 0.00 0.00 +0.118 HD ATOM 87 H UNK A 1 9.053 4.996 0.672 0.00 0.00 +0.118 HD ENDBRANCH 84 85 ENDBRANCH 83 84 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 40 81 ENDBRANCH 36 40 ENDBRANCH 35 37 BRANCH 35 88 ATOM 88 C UNK A 1 1.525 0.857 -1.982 0.00 0.00 +0.032 C BRANCH 88 89 ATOM 89 C UNK A 1 0.209 0.414 -1.358 0.00 0.00 +0.003 C BRANCH 89 90 ATOM 90 C UNK A 1 -0.909 1.449 -1.511 0.00 0.00 +0.015 C BRANCH 90 91 ATOM 91 C UNK A 1 -1.182 1.883 -2.947 0.00 0.00 +0.077 C BRANCH 91 92 ATOM 92 N UNK A 1 -2.304 2.818 -2.978 0.00 0.00 -0.330 NA ATOM 93 H UNK A 1 -3.149 2.335 -2.653 0.00 0.00 +0.118 HD ATOM 94 H UNK A 1 -2.496 3.070 -3.948 0.00 0.00 +0.118 HD ENDBRANCH 91 92 ENDBRANCH 90 91 ENDBRANCH 89 90 ENDBRANCH 88 89 ENDBRANCH 35 88 ENDBRANCH 31 35 ENDBRANCH 30 32 BRANCH 30 95 ATOM 95 C UNK A 1 4.511 -2.529 -4.626 0.00 0.00 +0.033 C BRANCH 95 96 ATOM 96 C UNK A 1 5.986 -2.615 -5.018 0.00 0.00 +0.023 C BRANCH 96 97 ATOM 97 C UNK A 1 6.157 -3.248 -6.396 0.00 0.00 +0.115 C BRANCH 97 98 ATOM 98 N UNK A 1 7.528 -3.154 -6.874 0.00 0.00 -0.356 N ATOM 99 H UNK A 1 7.526 -3.144 -7.894 0.00 0.00 +0.162 HD BRANCH 98 100 ATOM 100 C UNK A 1 8.461 -4.061 -6.511 0.00 0.00 +0.188 C ATOM 101 N UNK A 1 8.989 -4.819 -7.405 0.00 0.00 -0.269 NA ATOM 102 H UNK A 1 9.663 -5.440 -6.955 0.00 0.00 +0.190 HD BRANCH 100 103 ATOM 103 N UNK A 1 8.751 -4.119 -5.203 0.00 0.00 -0.370 N ATOM 104 H UNK A 1 9.585 -4.617 -4.932 0.00 0.00 +0.159 HD ATOM 105 H UNK A 1 8.672 -3.231 -4.710 0.00 0.00 +0.159 HD ENDBRANCH 100 103 ENDBRANCH 98 100 ENDBRANCH 97 98 ENDBRANCH 96 97 ENDBRANCH 95 96 ENDBRANCH 30 95 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 106 ATOM 106 C UNK A 1 5.696 -3.632 1.393 0.00 0.00 +0.033 C BRANCH 106 107 ATOM 107 C UNK A 1 7.179 -4.003 1.229 0.00 0.00 +0.023 C BRANCH 107 108 ATOM 108 C UNK A 1 8.110 -2.822 0.975 0.00 0.00 +0.115 C BRANCH 108 109 ATOM 109 N UNK A 1 7.852 -2.197 -0.305 0.00 0.00 -0.356 N ATOM 110 H UNK A 1 6.873 -1.984 -0.462 0.00 0.00 +0.162 HD BRANCH 109 111 ATOM 111 C UNK A 1 8.648 -2.163 -1.393 0.00 0.00 +0.188 C ATOM 112 N UNK A 1 8.245 -1.710 -2.533 0.00 0.00 -0.269 NA ATOM 113 H UNK A 1 7.286 -1.392 -2.401 0.00 0.00 +0.190 HD BRANCH 111 114 ATOM 114 N UNK A 1 9.910 -2.612 -1.285 0.00 0.00 -0.370 N ATOM 115 H UNK A 1 10.389 -2.292 -0.456 0.00 0.00 +0.159 HD ATOM 116 H UNK A 1 10.425 -2.363 -2.121 0.00 0.00 +0.159 HD ENDBRANCH 111 114 ENDBRANCH 109 111 ENDBRANCH 108 109 ENDBRANCH 107 108 ENDBRANCH 106 107 ENDBRANCH 25 106 ENDBRANCH 21 25 ENDBRANCH 20 22 BRANCH 20 117 ATOM 117 C UNK A 1 3.510 -7.226 1.011 0.00 0.00 +0.041 C BRANCH 117 118 ATOM 118 C UNK A 1 2.542 -7.349 2.184 0.00 0.00 +0.098 C BRANCH 118 119 ATOM 119 C UNK A 1 3.003 -8.380 3.190 0.00 0.00 +0.211 C ATOM 120 O UNK A 1 4.173 -8.685 3.386 0.00 0.00 -0.276 OA ATOM 121 N UNK A 1 1.992 -8.956 3.914 0.00 0.00 -0.329 N ATOM 122 H UNK A 1 1.125 -9.104 3.411 0.00 0.00 +0.145 HD ATOM 123 H UNK A 1 2.316 -9.752 4.455 0.00 0.00 +0.145 HD ENDBRANCH 118 119 ENDBRANCH 117 118 ENDBRANCH 20 117 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 124 ATOM 124 C UNK A 1 2.954 -6.531 -3.633 0.00 0.00 +0.033 C BRANCH 124 125 ATOM 125 C UNK A 1 2.410 -7.660 -4.525 0.00 0.00 +0.023 C BRANCH 125 126 ATOM 126 C UNK A 1 3.509 -8.651 -4.916 0.00 0.00 +0.115 C BRANCH 126 127 ATOM 127 N UNK A 1 4.591 -7.967 -5.609 0.00 0.00 -0.356 N ATOM 128 H UNK A 1 4.337 -7.583 -6.512 0.00 0.00 +0.162 HD BRANCH 127 129 ATOM 129 C UNK A 1 5.858 -8.438 -5.566 0.00 0.00 +0.188 C ATOM 130 N UNK A 1 6.240 -9.418 -4.828 0.00 0.00 -0.269 NA ATOM 131 H UNK A 1 7.235 -9.589 -4.974 0.00 0.00 +0.190 HD BRANCH 129 132 ATOM 132 N UNK A 1 6.689 -7.750 -6.370 0.00 0.00 -0.370 N ATOM 133 H UNK A 1 6.482 -6.759 -6.451 0.00 0.00 +0.159 HD ATOM 134 H UNK A 1 7.675 -7.885 -6.189 0.00 0.00 +0.159 HD ENDBRANCH 129 132 ENDBRANCH 127 129 ENDBRANCH 126 127 ENDBRANCH 125 126 ENDBRANCH 124 125 ENDBRANCH 15 124 ENDBRANCH 11 15 ENDBRANCH 10 12 BRANCH 10 135 ATOM 135 C UNK A 1 -1.823 -2.938 -3.181 0.00 0.00 +0.033 C BRANCH 135 136 ATOM 136 C UNK A 1 -2.654 -2.118 -2.199 0.00 0.00 +0.023 C BRANCH 136 137 ATOM 137 C UNK A 1 -3.570 -1.192 -2.997 0.00 0.00 +0.115 C BRANCH 137 138 ATOM 138 N UNK A 1 -4.306 -0.304 -2.124 0.00 0.00 -0.356 N ATOM 139 H UNK A 1 -3.764 0.027 -1.335 0.00 0.00 +0.162 HD BRANCH 138 140 ATOM 140 C UNK A 1 -5.094 0.667 -2.644 0.00 0.00 +0.188 C ATOM 141 N UNK A 1 -5.402 0.783 -3.883 0.00 0.00 -0.269 NA ATOM 142 H UNK A 1 -5.990 1.607 -4.016 0.00 0.00 +0.190 HD BRANCH 140 143 ATOM 143 N UNK A 1 -5.484 1.536 -1.696 0.00 0.00 -0.370 N ATOM 144 H UNK A 1 -6.241 2.140 -1.990 0.00 0.00 +0.159 HD ATOM 145 H UNK A 1 -5.806 1.033 -0.860 0.00 0.00 +0.159 HD ENDBRANCH 140 143 ENDBRANCH 138 140 ENDBRANCH 137 138 ENDBRANCH 136 137 ENDBRANCH 135 136 ENDBRANCH 10 135 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 146 ATOM 146 C UNK A 1 -4.091 -5.815 -0.136 0.00 0.00 +0.033 C BRANCH 146 147 ATOM 147 C UNK A 1 -3.678 -6.739 1.014 0.00 0.00 +0.023 C BRANCH 147 148 ATOM 148 C UNK A 1 -2.376 -6.339 1.702 0.00 0.00 +0.115 C BRANCH 148 149 ATOM 149 N UNK A 1 -2.165 -7.174 2.883 0.00 0.00 -0.356 N ATOM 150 H UNK A 1 -3.025 -7.335 3.409 0.00 0.00 +0.162 HD BRANCH 149 151 ATOM 151 C UNK A 1 -1.089 -6.982 3.679 0.00 0.00 +0.188 C ATOM 152 N UNK A 1 -0.136 -6.153 3.461 0.00 0.00 -0.269 NA ATOM 153 H UNK A 1 0.539 -6.214 4.226 0.00 0.00 +0.190 HD BRANCH 151 154 ATOM 154 N UNK A 1 -1.102 -7.818 4.740 0.00 0.00 -0.370 N ATOM 155 H UNK A 1 -0.185 -8.040 5.106 0.00 0.00 +0.159 HD ATOM 156 H UNK A 1 -1.637 -8.658 4.547 0.00 0.00 +0.159 HD ENDBRANCH 151 154 ENDBRANCH 149 151 ENDBRANCH 148 149 ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 5 146 ENDBRANCH 1 5 BRANCH 2 157 ATOM 157 C UNK A 1 -5.145 -5.889 -4.996 0.00 0.00 +0.104 C BRANCH 157 158 ATOM 158 C UNK A 1 -4.468 -6.320 -6.296 0.00 0.00 +0.019 C BRANCH 158 159 ATOM 159 C UNK A 1 -3.115 -5.627 -6.487 0.00 0.00 +0.004 C BRANCH 159 160 ATOM 160 C UNK A 1 -2.442 -6.033 -7.800 0.00 0.00 +0.032 C BRANCH 160 161 ATOM 161 C UNK A 1 -0.970 -5.597 -7.870 0.00 0.00 +0.159 C BRANCH 161 162 ATOM 162 C UNK A 1 -0.204 -6.415 -8.930 0.00 0.00 +0.231 C ATOM 163 O UNK A 1 0.241 -5.920 -9.964 0.00 0.00 -0.274 OA ATOM 164 N UNK A 1 -0.028 -7.737 -8.662 0.00 0.00 -0.328 N ATOM 165 H UNK A 1 0.447 -8.300 -9.356 0.00 0.00 +0.145 HD ATOM 166 H UNK A 1 -0.438 -8.207 -7.864 0.00 0.00 +0.145 HD ENDBRANCH 161 162 BRANCH 161 167 ATOM 167 N UNK A 1 -0.804 -4.187 -8.228 0.00 0.00 -0.302 N ATOM 168 H UNK A 1 -0.393 -4.026 -9.145 0.00 0.00 +0.150 HD ATOM 169 C UNK A 1 -0.717 -3.195 -7.277 0.00 0.00 +0.239 C ATOM 170 O UNK A 1 -1.037 -3.382 -6.104 0.00 0.00 -0.273 OA BRANCH 169 171 ATOM 171 C UNK A 1 -0.203 -1.855 -7.828 0.00 0.00 +0.255 C BRANCH 171 172 ATOM 172 O UNK A 1 0.121 -0.933 -6.797 0.00 0.00 -0.368 OA BRANCH 172 173 ATOM 173 C UNK A 1 0.889 0.174 -7.276 0.00 0.00 +0.188 C BRANCH 173 174 ATOM 174 C UNK A 1 1.104 1.150 -6.122 0.00 0.00 +0.188 C BRANCH 174 175 ATOM 175 O UNK A 1 2.028 2.179 -6.483 0.00 0.00 -0.376 OA BRANCH 175 176 ATOM 176 C UNK A 1 2.096 3.178 -5.455 0.00 0.00 +0.178 C BRANCH 176 177 ATOM 177 C UNK A 1 3.220 4.174 -5.746 0.00 0.00 +0.132 C BRANCH 177 178 ATOM 178 N UNK A 1 3.641 4.984 -4.601 0.00 0.00 -0.312 N ATOM 179 H UNK A 1 3.718 4.499 -3.717 0.00 0.00 +0.149 HD ATOM 180 C UNK A 1 4.514 6.032 -4.843 0.00 0.00 +0.236 C ATOM 181 O UNK A 1 4.718 6.439 -5.990 0.00 0.00 -0.274 OA BRANCH 180 182 ATOM 182 C UNK A 1 5.337 6.593 -3.664 0.00 0.00 +0.184 C BRANCH 182 183 ATOM 183 N UNK A 1 4.578 7.196 -2.557 0.00 0.00 -0.300 N ATOM 184 H UNK A 1 3.916 6.635 -2.036 0.00 0.00 +0.150 HD ATOM 185 C UNK A 1 5.208 8.208 -1.841 0.00 0.00 +0.237 C ATOM 186 O UNK A 1 6.311 8.635 -2.183 0.00 0.00 -0.274 OA BRANCH 185 187 ATOM 187 C UNK A 1 4.401 8.918 -0.724 0.00 0.00 +0.187 C BRANCH 187 188 ATOM 188 N UNK A 1 3.639 8.089 0.236 0.00 0.00 -0.300 N ATOM 189 H UNK A 1 3.011 8.661 0.789 0.00 0.00 +0.150 HD ATOM 190 C UNK A 1 4.330 7.138 0.966 0.00 0.00 +0.234 C ATOM 191 O UNK A 1 4.854 6.193 0.373 0.00 0.00 -0.274 OA BRANCH 190 192 ATOM 192 C UNK A 1 4.423 7.391 2.503 0.00 0.00 +0.159 C BRANCH 192 193 ATOM 193 N UNK A 1 3.127 7.365 3.209 0.00 0.00 -0.302 N ATOM 194 H UNK A 1 2.887 8.196 3.741 0.00 0.00 +0.150 HD ATOM 195 C UNK A 1 2.568 6.171 3.624 0.00 0.00 +0.234 C ATOM 196 O UNK A 1 2.762 5.124 3.013 0.00 0.00 -0.274 OA BRANCH 195 197 ATOM 197 C UNK A 1 1.746 6.216 4.938 0.00 0.00 +0.159 C BRANCH 197 198 ATOM 198 N UNK A 1 0.999 4.956 5.084 0.00 0.00 -0.302 N ATOM 199 H UNK A 1 1.520 4.090 4.967 0.00 0.00 +0.150 HD ATOM 200 C UNK A 1 -0.365 4.912 5.299 0.00 0.00 +0.234 C ATOM 201 O UNK A 1 -1.054 5.921 5.157 0.00 0.00 -0.274 OA BRANCH 200 202 ATOM 202 C UNK A 1 -0.957 3.508 5.657 0.00 0.00 +0.159 C ATOM 203 N UNK A 1 0.035 2.792 6.481 0.00 0.00 -0.302 N ATOM 204 H UNK A 1 0.496 3.403 7.147 0.00 0.00 +0.150 HD ATOM 205 C UNK A 1 0.906 1.817 6.077 0.00 0.00 +0.234 C ATOM 206 O UNK A 1 2.077 1.927 6.443 0.00 0.00 -0.274 OA ATOM 207 C UNK A 1 0.459 0.661 5.171 0.00 0.00 +0.163 C ATOM 208 N UNK A 1 -0.951 0.304 5.428 0.00 0.00 -0.302 N ATOM 209 H UNK A 1 -1.512 0.526 4.616 0.00 0.00 +0.150 HD ATOM 210 C UNK A 1 -1.396 -0.923 5.825 0.00 0.00 +0.234 C ATOM 211 O UNK A 1 -2.251 -1.454 5.107 0.00 0.00 -0.274 OA ATOM 212 C UNK A 1 -0.977 -1.564 7.169 0.00 0.00 +0.163 C ATOM 213 N UNK A 1 -1.753 -2.821 7.236 0.00 0.00 -0.302 N ATOM 214 H UNK A 1 -1.474 -3.499 6.544 0.00 0.00 +0.150 HD ATOM 215 C UNK A 1 -3.099 -2.789 7.571 0.00 0.00 +0.234 C ATOM 216 O UNK A 1 -3.630 -1.790 8.040 0.00 0.00 -0.274 OA ATOM 217 C UNK A 1 -3.855 -4.129 7.361 0.00 0.00 +0.165 C ATOM 218 N UNK A 1 -5.271 -4.083 7.768 0.00 0.00 -0.302 N ATOM 219 H UNK A 1 -5.588 -4.907 8.273 0.00 0.00 +0.150 HD ATOM 220 C UNK A 1 -6.338 -3.554 7.108 0.00 0.00 +0.234 C ATOM 221 O UNK A 1 -7.431 -4.099 7.299 0.00 0.00 -0.274 OA ATOM 222 C UNK A 1 -6.236 -2.283 6.239 0.00 0.00 +0.168 C ATOM 223 C UNK A 1 -6.649 -1.097 7.110 0.00 0.00 +0.127 C ATOM 224 C UNK A 1 -7.029 0.144 6.335 0.00 0.00 +0.215 C ATOM 225 O UNK A 1 -8.209 0.452 6.169 0.00 0.00 -0.276 OA ATOM 226 N UNK A 1 -6.072 0.983 5.848 0.00 0.00 -0.315 N ATOM 227 H UNK A 1 -6.470 1.736 5.305 0.00 0.00 +0.149 HD ATOM 228 C UNK A 1 -4.659 0.704 5.664 0.00 0.00 +0.104 C ATOM 229 C UNK A 1 -3.856 1.987 5.411 0.00 0.00 +0.019 C ATOM 230 C UNK A 1 -3.137 2.480 6.674 0.00 0.00 +0.004 C ATOM 231 C UNK A 1 -2.271 3.725 6.441 0.00 0.00 +0.032 C BRANCH 222 232 ATOM 232 N UNK A 1 -7.188 -2.499 5.137 0.00 0.00 -0.302 N ATOM 233 H UNK A 1 -8.160 -2.636 5.405 0.00 0.00 +0.150 HD ATOM 234 C UNK A 1 -6.784 -2.891 3.889 0.00 0.00 +0.234 C ATOM 235 O UNK A 1 -5.595 -2.983 3.577 0.00 0.00 -0.274 OA BRANCH 234 236 ATOM 236 C UNK A 1 -7.905 -3.218 2.877 0.00 0.00 +0.163 C BRANCH 236 237 ATOM 237 N UNK A 1 -7.302 -2.900 1.573 0.00 0.00 -0.302 N ATOM 238 H UNK A 1 -6.444 -2.360 1.625 0.00 0.00 +0.150 HD ATOM 239 C UNK A 1 -7.914 -3.035 0.346 0.00 0.00 +0.236 C ATOM 240 O UNK A 1 -8.881 -3.763 0.153 0.00 0.00 -0.274 OA BRANCH 239 241 ATOM 241 C UNK A 1 -7.310 -2.115 -0.732 0.00 0.00 +0.187 C BRANCH 241 242 ATOM 242 N UNK A 1 -7.282 -2.709 -2.068 0.00 0.00 -0.300 N ATOM 243 H UNK A 1 -6.486 -3.312 -2.272 0.00 0.00 +0.150 HD ATOM 244 C UNK A 1 -8.289 -2.641 -3.000 0.00 0.00 +0.234 C ATOM 245 O UNK A 1 -9.365 -2.075 -2.812 0.00 0.00 -0.274 OA BRANCH 244 246 ATOM 246 C UNK A 1 -7.916 -3.221 -4.386 0.00 0.00 +0.159 C BRANCH 246 247 ATOM 247 N UNK A 1 -9.151 -3.529 -5.093 0.00 0.00 -0.304 N ATOM 248 H UNK A 1 -9.953 -2.952 -4.853 0.00 0.00 +0.149 HD ATOM 249 C UNK A 0 -9.328 -4.697 -5.791 0.00 0.00 +0.211 C ATOM 250 O UNK A 0 -8.445 -5.534 -5.965 0.00 0.00 -0.276 OA ATOM 251 C UNK A 0 -10.714 -4.887 -6.346 0.00 0.00 +0.109 C ENDBRANCH 246 247 BRANCH 246 252 ATOM 252 C UNK A 1 -7.049 -2.183 -5.123 0.00 0.00 +0.034 C BRANCH 252 253 ATOM 253 C UNK A 1 -6.551 -2.593 -6.522 0.00 0.00 -0.015 C ATOM 254 C UNK A 1 -7.498 -2.114 -7.624 0.00 0.00 +0.007 C ATOM 255 C UNK A 1 -5.153 -2.011 -6.770 0.00 0.00 +0.007 C ENDBRANCH 252 253 ENDBRANCH 246 252 ENDBRANCH 244 246 ENDBRANCH 241 242 BRANCH 241 256 ATOM 256 C UNK A 1 -7.918 -0.683 -0.636 0.00 0.00 +0.141 C ATOM 257 C UNK A 1 -9.350 -0.599 -0.103 0.00 0.00 +0.040 C BRANCH 256 258 ATOM 258 O UNK A 1 -7.071 0.153 0.190 0.00 0.00 -0.390 OA ATOM 259 H UNK A 1 -7.630 0.544 0.888 0.00 0.00 +0.210 HD ENDBRANCH 256 258 ENDBRANCH 241 256 ENDBRANCH 239 241 ENDBRANCH 236 237 BRANCH 236 260 ATOM 260 C UNK A 1 -8.365 -4.672 3.066 0.00 0.00 +0.067 C BRANCH 260 261 ATOM 261 C UNK A 1 -9.816 -4.754 3.497 0.00 0.00 -0.045 A ATOM 262 C UNK A 1 -10.836 -4.848 2.539 0.00 0.00 +0.004 A ATOM 263 C UNK A 1 -12.176 -4.877 2.924 0.00 0.00 +0.000 A ATOM 264 C UNK A 1 -12.515 -4.811 4.274 0.00 0.00 +0.000 A ATOM 265 C UNK A 1 -11.513 -4.735 5.236 0.00 0.00 +0.000 A ATOM 266 C UNK A 1 -10.170 -4.704 4.853 0.00 0.00 +0.004 A ENDBRANCH 260 261 ENDBRANCH 236 260 ENDBRANCH 234 236 ENDBRANCH 222 232 BRANCH 207 267 ATOM 267 C UNK A 1 0.750 0.953 3.678 0.00 0.00 +0.069 C BRANCH 267 268 ATOM 268 C UNK A 1 0.118 -0.100 2.811 0.00 0.00 -0.020 A ATOM 269 C UNK A 1 -1.164 -0.002 2.176 0.00 0.00 +0.003 A ATOM 270 C UNK A 1 -1.522 -1.291 1.791 0.00 0.00 +0.047 A ATOM 271 C UNK A 1 -2.801 -1.603 1.317 0.00 0.00 +0.026 A ATOM 272 C UNK A 1 -3.719 -0.558 1.205 0.00 0.00 +0.002 A ATOM 273 C UNK A 1 -3.370 0.751 1.517 0.00 0.00 +0.001 A ATOM 274 N UNK A 1 -0.432 -2.101 1.999 0.00 0.00 -0.360 N ATOM 275 H UNK A 1 -0.425 -3.097 1.811 0.00 0.00 +0.165 HD ATOM 276 C UNK A 1 -2.095 1.044 2.007 0.00 0.00 +0.010 A ATOM 277 C UNK A 1 0.560 -1.395 2.630 0.00 0.00 +0.087 A ENDBRANCH 267 268 ENDBRANCH 207 267 BRANCH 212 278 ATOM 278 C UNK A 1 0.522 -1.872 7.286 0.00 0.00 +0.067 C BRANCH 278 279 ATOM 279 C UNK A 1 0.892 -2.869 8.364 0.00 0.00 -0.045 A ATOM 280 C UNK A 1 1.765 -3.929 8.064 0.00 0.00 +0.007 A ATOM 281 C UNK A 1 2.101 -4.870 9.039 0.00 0.00 +0.045 A ATOM 282 C UNK A 1 1.573 -4.750 10.319 0.00 0.00 +0.117 A ATOM 283 C UNK A 1 0.728 -3.697 10.641 0.00 0.00 +0.045 A ATOM 284 C UNK A 1 0.397 -2.752 9.672 0.00 0.00 +0.007 A BRANCH 282 285 ATOM 285 O UNK A 1 1.860 -5.661 11.295 0.00 0.00 -0.507 OA ATOM 286 H UNK A 1 2.537 -6.269 10.961 0.00 0.00 +0.292 HD ENDBRANCH 282 285 ENDBRANCH 278 279 ENDBRANCH 212 278 BRANCH 217 287 ATOM 287 C UNK A 1 -3.652 -4.755 5.966 0.00 0.00 +0.086 C BRANCH 287 288 ATOM 288 C UNK A 1 -4.229 -6.128 5.832 0.00 0.00 +0.038 A ATOM 289 N UNK A 1 -3.832 -7.208 6.582 0.00 0.00 -0.348 N ATOM 290 H UNK A 1 -3.127 -7.219 7.305 0.00 0.00 +0.166 HD ATOM 291 C UNK A 1 -4.539 -8.289 6.144 0.00 0.00 +0.196 A ATOM 292 N UNK A 1 -5.340 -7.977 5.151 0.00 0.00 -0.244 NA ATOM 293 C UNK A 1 -5.173 -6.633 4.963 0.00 0.00 +0.133 A ENDBRANCH 287 288 ENDBRANCH 217 287 ENDBRANCH 200 202 ENDBRANCH 197 198 BRANCH 197 294 ATOM 294 C UNK A 1 2.658 6.355 6.169 0.00 0.00 +0.041 C BRANCH 294 295 ATOM 295 C UNK A 1 3.169 7.773 6.405 0.00 0.00 +0.098 C BRANCH 295 296 ATOM 296 C UNK A 1 3.743 7.932 7.793 0.00 0.00 +0.211 C ATOM 297 O UNK A 1 3.262 8.698 8.623 0.00 0.00 -0.276 OA ATOM 298 N UNK A 1 4.851 7.195 8.065 0.00 0.00 -0.329 N ATOM 299 H UNK A 1 5.264 7.299 8.984 0.00 0.00 +0.145 HD ATOM 300 H UNK A 1 5.306 6.580 7.403 0.00 0.00 +0.145 HD ENDBRANCH 295 296 ENDBRANCH 294 295 ENDBRANCH 197 294 ENDBRANCH 195 197 ENDBRANCH 192 193 BRANCH 192 301 ATOM 301 C UNK A 1 5.462 6.481 3.195 0.00 0.00 +0.034 C BRANCH 301 302 ATOM 302 C UNK A 1 6.937 6.884 2.982 0.00 0.00 -0.015 C ATOM 303 C UNK A 1 7.845 5.753 3.477 0.00 0.00 +0.007 C ATOM 304 C UNK A 1 7.290 8.174 3.725 0.00 0.00 +0.007 C ENDBRANCH 301 302 ENDBRANCH 192 301 ENDBRANCH 190 192 ENDBRANCH 187 188 BRANCH 187 305 ATOM 305 C UNK A 1 5.304 9.983 -0.035 0.00 0.00 +0.141 C ATOM 306 C UNK A 1 4.521 10.955 0.845 0.00 0.00 +0.040 C BRANCH 305 307 ATOM 307 O UNK A 1 6.300 9.366 0.785 0.00 0.00 -0.390 OA ATOM 308 H UNK A 1 6.908 8.903 0.171 0.00 0.00 +0.210 HD ENDBRANCH 305 307 ENDBRANCH 187 305 ENDBRANCH 185 187 ENDBRANCH 182 183 BRANCH 182 309 ATOM 309 C UNK A 1 6.343 5.529 -3.188 0.00 0.00 +0.187 C BRANCH 309 310 ATOM 310 O UNK A 1 7.491 5.435 -4.036 0.00 0.00 -0.393 OA ATOM 311 H UNK A 1 7.205 5.500 -4.966 0.00 0.00 +0.209 HD ENDBRANCH 309 310 ENDBRANCH 182 309 ENDBRANCH 180 182 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 175 176 ENDBRANCH 174 175 ENDBRANCH 173 174 ENDBRANCH 172 173 ENDBRANCH 171 172 ENDBRANCH 169 171 ENDBRANCH 161 167 ENDBRANCH 160 161 ENDBRANCH 159 160 ENDBRANCH 158 159 ENDBRANCH 157 158 ENDBRANCH 2 157 TORSDOF 127