REMARK Name = BDB058941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -7.475 2.343 -0.010 0.00 0.00 +0.004 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 -7.415 3.865 -0.180 0.00 0.00 +0.032 C BRANCH 2 3 ATOM 3 C UNK A 1 -8.751 4.457 -0.642 0.00 0.00 +0.159 C BRANCH 3 4 ATOM 4 C UNK A 1 -9.916 4.402 0.373 0.00 0.00 +0.231 C ATOM 5 O UNK A 1 -11.065 4.707 0.034 0.00 0.00 -0.274 OA ATOM 6 N UNK A 1 -9.646 4.169 1.685 0.00 0.00 -0.328 N ATOM 7 H UNK A 1 -10.448 4.182 2.310 0.00 0.00 +0.145 HD ATOM 8 H UNK A 1 -8.830 3.674 2.009 0.00 0.00 +0.145 HD ENDBRANCH 3 4 BRANCH 3 9 ATOM 9 N UNK A 1 -8.659 5.874 -0.990 0.00 0.00 -0.302 N ATOM 10 H UNK A 1 -9.491 6.410 -0.738 0.00 0.00 +0.150 HD ATOM 11 C UNK A 1 -8.042 6.283 -2.167 0.00 0.00 +0.239 C ATOM 12 O UNK A 1 -7.356 5.532 -2.852 0.00 0.00 -0.273 OA BRANCH 11 13 ATOM 13 C UNK A 1 -8.315 7.766 -2.490 0.00 0.00 +0.255 C BRANCH 13 14 ATOM 14 O UNK A 1 -7.269 8.369 -3.228 0.00 0.00 -0.368 OA BRANCH 14 15 ATOM 15 C UNK A 1 -6.934 9.662 -2.733 0.00 0.00 +0.188 C BRANCH 15 16 ATOM 16 C UNK A 1 -5.733 10.190 -3.501 0.00 0.00 +0.188 C BRANCH 16 17 ATOM 17 O UNK A 1 -5.248 11.376 -2.873 0.00 0.00 -0.376 OA BRANCH 17 18 ATOM 18 C UNK A 1 -3.939 11.699 -3.337 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 C UNK A 1 -3.386 12.926 -2.615 0.00 0.00 +0.132 C BRANCH 19 20 ATOM 20 N UNK A 1 -1.975 13.070 -2.880 0.00 0.00 -0.312 N ATOM 21 H UNK A 1 -1.381 12.252 -2.770 0.00 0.00 +0.149 HD ATOM 22 C UNK A 1 -1.307 14.283 -2.939 0.00 0.00 +0.236 C ATOM 23 O UNK A 1 -1.879 15.367 -2.847 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C UNK A 1 0.182 14.167 -3.323 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 N UNK A 1 0.634 12.759 -3.257 0.00 0.00 -0.300 N ATOM 26 H UNK A 1 1.015 12.415 -4.138 0.00 0.00 +0.150 HD ATOM 27 C UNK A 1 1.220 12.236 -2.120 0.00 0.00 +0.237 C ATOM 28 O UNK A 1 1.582 12.930 -1.179 0.00 0.00 -0.274 OA BRANCH 27 29 ATOM 29 C UNK A 1 1.444 10.713 -2.193 0.00 0.00 +0.187 C BRANCH 29 30 ATOM 30 N UNK A 1 2.876 10.424 -2.305 0.00 0.00 -0.300 N ATOM 31 H UNK A 1 3.400 11.209 -1.915 0.00 0.00 +0.150 HD ATOM 32 C UNK A 1 3.460 10.084 -3.499 0.00 0.00 +0.234 C ATOM 33 O UNK A 1 4.382 10.808 -3.896 0.00 0.00 -0.274 OA BRANCH 32 34 ATOM 34 C UNK A 1 3.285 8.661 -4.119 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N UNK A 1 4.450 7.955 -3.522 0.00 0.00 -0.302 N ATOM 36 H UNK A 1 5.266 8.561 -3.502 0.00 0.00 +0.150 HD ATOM 37 C UNK A 1 4.754 6.622 -3.690 0.00 0.00 +0.234 C ATOM 38 O UNK A 1 4.009 5.780 -4.181 0.00 0.00 -0.274 OA BRANCH 37 39 ATOM 39 C UNK A 1 6.154 6.242 -3.160 0.00 0.00 +0.159 C BRANCH 39 40 ATOM 40 N UNK A 1 6.152 4.859 -2.689 0.00 0.00 -0.302 N ATOM 41 H UNK A 1 5.338 4.302 -2.963 0.00 0.00 +0.150 HD ATOM 42 C UNK A 1 6.907 4.461 -1.613 0.00 0.00 +0.234 C ATOM 43 O UNK A 1 7.657 5.227 -1.000 0.00 0.00 -0.274 OA BRANCH 42 44 ATOM 44 C UNK A 1 6.687 2.993 -1.183 0.00 0.00 +0.159 C ATOM 45 N UNK A 1 7.112 2.093 -2.267 0.00 0.00 -0.302 N ATOM 46 H UNK A 1 6.533 2.195 -3.103 0.00 0.00 +0.150 HD ATOM 47 C UNK A 1 8.329 1.657 -2.683 0.00 0.00 +0.234 C ATOM 48 O UNK A 1 8.463 1.475 -3.898 0.00 0.00 -0.274 OA ATOM 49 C UNK A 1 9.448 1.249 -1.710 0.00 0.00 +0.163 C ATOM 50 N UNK A 1 9.655 -0.221 -1.846 0.00 0.00 -0.302 N ATOM 51 H UNK A 1 10.614 -0.392 -1.573 0.00 0.00 +0.150 HD ATOM 52 C UNK A 1 8.872 -1.016 -1.032 0.00 0.00 +0.234 C ATOM 53 O UNK A 1 8.921 -0.879 0.191 0.00 0.00 -0.274 OA ATOM 54 C UNK A 1 8.075 -2.170 -1.688 0.00 0.00 +0.163 C ATOM 55 N UNK A 1 7.125 -2.629 -0.656 0.00 0.00 -0.302 N ATOM 56 H UNK A 1 7.594 -3.034 0.144 0.00 0.00 +0.150 HD ATOM 57 C UNK A 1 5.911 -2.021 -0.407 0.00 0.00 +0.234 C ATOM 58 O UNK A 1 5.369 -1.261 -1.211 0.00 0.00 -0.274 OA ATOM 59 C UNK A 1 5.363 -2.152 1.041 0.00 0.00 +0.165 C ATOM 60 N UNK A 1 3.959 -1.735 1.101 0.00 0.00 -0.302 N ATOM 61 H UNK A 1 3.359 -2.209 0.430 0.00 0.00 +0.150 HD ATOM 62 C UNK A 1 3.259 -0.973 1.971 0.00 0.00 +0.234 C ATOM 63 O UNK A 1 2.027 -1.103 1.939 0.00 0.00 -0.274 OA ATOM 64 C UNK A 1 3.886 0.063 2.947 0.00 0.00 +0.168 C ATOM 65 C UNK A 1 4.813 -0.540 3.985 0.00 0.00 +0.127 C ATOM 66 C UNK A 1 5.497 0.414 4.941 0.00 0.00 +0.215 C ATOM 67 O UNK A 1 5.309 0.305 6.156 0.00 0.00 -0.276 OA ATOM 68 N UNK A 1 6.454 1.297 4.544 0.00 0.00 -0.315 N ATOM 69 H UNK A 1 6.763 1.828 5.351 0.00 0.00 +0.149 HD ATOM 70 C UNK A 1 6.657 1.973 3.270 0.00 0.00 +0.104 C ATOM 71 C UNK A 1 7.290 1.108 2.188 0.00 0.00 +0.019 C ATOM 72 C UNK A 1 6.731 1.411 0.794 0.00 0.00 +0.004 C ATOM 73 C UNK A 1 7.202 2.749 0.238 0.00 0.00 +0.032 C BRANCH 64 74 ATOM 74 N UNK A 1 2.719 0.689 3.589 0.00 0.00 -0.302 N ATOM 75 H UNK A 1 1.827 0.233 3.363 0.00 0.00 +0.150 HD ATOM 76 C UNK A 1 2.656 1.995 4.003 0.00 0.00 +0.234 C ATOM 77 O UNK A 1 3.597 2.772 3.827 0.00 0.00 -0.274 OA BRANCH 76 78 ATOM 78 C UNK A 1 1.302 2.505 4.578 0.00 0.00 +0.163 C BRANCH 78 79 ATOM 79 N UNK A 1 0.808 3.457 3.578 0.00 0.00 -0.302 N ATOM 80 H UNK A 1 1.480 3.717 2.856 0.00 0.00 +0.150 HD ATOM 81 C UNK A 1 -0.139 4.412 3.885 0.00 0.00 +0.236 C ATOM 82 O UNK A 1 -0.851 4.349 4.893 0.00 0.00 -0.274 OA BRANCH 81 83 ATOM 83 C UNK A 1 -0.117 5.649 2.950 0.00 0.00 +0.187 C BRANCH 83 84 ATOM 84 N UNK A 1 -0.317 5.311 1.531 0.00 0.00 -0.300 N ATOM 85 H UNK A 1 0.182 5.925 0.885 0.00 0.00 +0.150 HD ATOM 86 C UNK A 1 -1.533 4.845 1.090 0.00 0.00 +0.234 C ATOM 87 O UNK A 1 -2.417 4.478 1.864 0.00 0.00 -0.274 OA BRANCH 86 88 ATOM 88 C UNK A 1 -1.801 4.827 -0.441 0.00 0.00 +0.159 C BRANCH 88 89 ATOM 89 N UNK A 1 -2.905 5.751 -0.703 0.00 0.00 -0.304 N ATOM 90 H UNK A 1 -3.811 5.414 -0.377 0.00 0.00 +0.149 HD ATOM 91 C UNK A 0 -2.735 7.110 -0.629 0.00 0.00 +0.211 C ATOM 92 O UNK A 0 -1.645 7.670 -0.531 0.00 0.00 -0.276 OA ATOM 93 C UNK A 0 -4.020 7.894 -0.667 0.00 0.00 +0.109 C ENDBRANCH 88 89 BRANCH 88 94 ATOM 94 C UNK A 1 -0.618 4.949 -1.420 0.00 0.00 +0.034 C BRANCH 94 95 ATOM 95 C UNK A 1 -0.670 3.932 -2.581 0.00 0.00 -0.015 C ATOM 96 C UNK A 1 -1.921 4.071 -3.442 0.00 0.00 +0.007 C ATOM 97 C UNK A 1 0.587 4.061 -3.450 0.00 0.00 +0.007 C ENDBRANCH 94 95 ENDBRANCH 88 94 ENDBRANCH 86 88 ENDBRANCH 83 84 BRANCH 83 98 ATOM 98 C UNK A 1 -1.036 6.798 3.442 0.00 0.00 +0.141 C ATOM 99 C UNK A 1 -0.563 7.405 4.768 0.00 0.00 +0.040 C BRANCH 98 100 ATOM 100 O UNK A 1 -1.041 7.874 2.485 0.00 0.00 -0.390 OA ATOM 101 H UNK A 1 -0.115 8.138 2.337 0.00 0.00 +0.210 HD ENDBRANCH 98 100 ENDBRANCH 83 98 ENDBRANCH 81 83 ENDBRANCH 78 79 BRANCH 78 102 ATOM 102 C UNK A 1 0.327 1.369 4.962 0.00 0.00 +0.067 C BRANCH 102 103 ATOM 103 C UNK A 1 -0.590 1.591 6.141 0.00 0.00 -0.045 A ATOM 104 C UNK A 1 -0.098 2.012 7.386 0.00 0.00 +0.004 A ATOM 105 C UNK A 1 -0.957 2.162 8.477 0.00 0.00 +0.000 A ATOM 106 C UNK A 1 -2.310 1.867 8.345 0.00 0.00 +0.000 A ATOM 107 C UNK A 1 -2.811 1.428 7.123 0.00 0.00 +0.000 A ATOM 108 C UNK A 1 -1.957 1.288 6.026 0.00 0.00 +0.004 A ENDBRANCH 102 103 ENDBRANCH 78 102 ENDBRANCH 76 78 ENDBRANCH 64 74 BRANCH 59 109 ATOM 109 C UNK A 1 5.571 -3.497 1.764 0.00 0.00 +0.086 C BRANCH 109 110 ATOM 110 C UNK A 1 4.839 -4.684 1.226 0.00 0.00 +0.038 A ATOM 111 N UNK A 1 5.447 -5.904 1.024 0.00 0.00 -0.348 N ATOM 112 H UNK A 1 6.425 -6.127 1.146 0.00 0.00 +0.166 HD ATOM 113 C UNK A 1 4.487 -6.795 0.649 0.00 0.00 +0.196 A ATOM 114 N UNK A 1 3.303 -6.232 0.594 0.00 0.00 -0.244 NA ATOM 115 C UNK A 1 3.512 -4.922 0.922 0.00 0.00 +0.133 A ENDBRANCH 109 110 ENDBRANCH 59 109 BRANCH 54 116 ATOM 116 C UNK A 1 7.503 -1.832 -3.074 0.00 0.00 +0.067 C BRANCH 116 117 ATOM 117 C UNK A 1 6.716 -2.911 -3.790 0.00 0.00 -0.045 A ATOM 118 C UNK A 1 5.744 -2.512 -4.727 0.00 0.00 +0.007 A ATOM 119 C UNK A 1 5.037 -3.455 -5.473 0.00 0.00 +0.045 A ATOM 120 C UNK A 1 5.284 -4.803 -5.286 0.00 0.00 +0.117 A ATOM 121 C UNK A 1 6.245 -5.229 -4.382 0.00 0.00 +0.045 A ATOM 122 C UNK A 1 6.973 -4.286 -3.644 0.00 0.00 +0.007 A BRANCH 120 123 ATOM 123 O UNK A 1 4.558 -5.686 -6.029 0.00 0.00 -0.507 OA ATOM 124 H UNK A 1 4.898 -6.586 -5.864 0.00 0.00 +0.292 HD ENDBRANCH 120 123 ENDBRANCH 116 117 ENDBRANCH 54 116 BRANCH 49 125 ATOM 125 C UNK A 1 10.713 2.055 -2.054 0.00 0.00 +0.069 C BRANCH 125 126 ATOM 126 C UNK A 1 11.700 2.055 -0.912 0.00 0.00 -0.020 A ATOM 127 C UNK A 1 11.674 2.911 0.238 0.00 0.00 +0.003 A ATOM 128 C UNK A 1 12.717 2.513 1.080 0.00 0.00 +0.047 A ATOM 129 C UNK A 1 12.953 3.098 2.323 0.00 0.00 +0.026 A ATOM 130 C UNK A 1 12.102 4.131 2.730 0.00 0.00 +0.002 A ATOM 131 C UNK A 1 11.077 4.581 1.896 0.00 0.00 +0.001 A ATOM 132 N UNK A 1 13.397 1.515 0.424 0.00 0.00 -0.360 N ATOM 133 H UNK A 1 14.222 1.056 0.786 0.00 0.00 +0.165 HD ATOM 134 C UNK A 1 10.853 3.977 0.659 0.00 0.00 +0.010 A ATOM 135 C UNK A 1 12.795 1.233 -0.771 0.00 0.00 +0.087 A ENDBRANCH 125 126 ENDBRANCH 49 125 ENDBRANCH 42 44 ENDBRANCH 39 40 BRANCH 39 136 ATOM 136 C UNK A 1 7.264 6.493 -4.196 0.00 0.00 +0.041 C BRANCH 136 137 ATOM 137 C UNK A 1 7.279 5.483 -5.338 0.00 0.00 +0.098 C BRANCH 137 138 ATOM 138 C UNK A 1 8.400 5.666 -6.342 0.00 0.00 +0.211 C ATOM 139 O UNK A 1 8.220 5.501 -7.548 0.00 0.00 -0.276 OA ATOM 140 N UNK A 1 9.651 5.895 -5.852 0.00 0.00 -0.329 N ATOM 141 H UNK A 1 10.385 6.048 -6.546 0.00 0.00 +0.145 HD ATOM 142 H UNK A 1 9.835 6.205 -4.912 0.00 0.00 +0.145 HD ENDBRANCH 137 138 ENDBRANCH 136 137 ENDBRANCH 39 136 ENDBRANCH 37 39 ENDBRANCH 34 35 BRANCH 34 143 ATOM 143 C UNK A 1 1.913 7.990 -3.956 0.00 0.00 +0.034 C BRANCH 143 144 ATOM 144 C UNK A 1 0.925 8.191 -5.139 0.00 0.00 -0.015 C ATOM 145 C UNK A 1 1.071 9.494 -5.934 0.00 0.00 +0.007 C ATOM 146 C UNK A 1 -0.525 8.063 -4.651 0.00 0.00 +0.007 C ENDBRANCH 143 144 ENDBRANCH 34 143 ENDBRANCH 32 34 ENDBRANCH 29 30 BRANCH 29 147 ATOM 147 C UNK A 1 0.760 9.993 -1.012 0.00 0.00 +0.141 C ATOM 148 C UNK A 1 1.038 10.540 0.379 0.00 0.00 +0.040 C BRANCH 147 149 ATOM 149 O UNK A 1 -0.656 10.019 -1.240 0.00 0.00 -0.390 OA ATOM 150 H UNK A 1 -1.013 9.205 -0.815 0.00 0.00 +0.210 HD ENDBRANCH 147 149 ENDBRANCH 29 147 ENDBRANCH 27 29 ENDBRANCH 24 25 BRANCH 24 151 ATOM 151 C UNK A 1 0.308 14.687 -4.765 0.00 0.00 +0.187 C BRANCH 151 152 ATOM 152 O UNK A 1 1.587 14.339 -5.297 0.00 0.00 -0.393 OA ATOM 153 H UNK A 1 1.616 14.640 -6.220 0.00 0.00 +0.209 HD ENDBRANCH 151 152 ENDBRANCH 24 151 ENDBRANCH 22 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 3 9 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 154 ATOM 154 C UNK A 1 -7.401 1.544 -1.318 0.00 0.00 +0.019 C BRANCH 154 155 ATOM 155 C UNK A 1 -5.968 1.208 -1.753 0.00 0.00 +0.104 C BRANCH 155 157 ATOM 156 C UNK A 1 -4.806 -0.836 -2.706 0.00 0.00 +0.233 C ATOM 157 N UNK A 1 -5.895 -0.173 -2.218 0.00 0.00 -0.314 N ATOM 158 H UNK A 1 -6.530 -0.834 -1.771 0.00 0.00 +0.149 HD ATOM 159 O UNK A 1 -4.818 -2.072 -2.652 0.00 0.00 -0.274 OA BRANCH 156 160 ATOM 160 C UNK A 1 -3.571 -0.054 -3.183 0.00 0.00 +0.159 C BRANCH 160 162 ATOM 161 C UNK A 1 -1.256 0.034 -2.237 0.00 0.00 +0.234 C ATOM 162 N UNK A 1 -2.531 -0.501 -2.261 0.00 0.00 -0.302 N ATOM 163 H UNK A 1 -2.829 -0.845 -1.359 0.00 0.00 +0.150 HD ATOM 164 O UNK A 1 -0.745 0.617 -3.183 0.00 0.00 -0.274 OA BRANCH 161 165 ATOM 165 C UNK A 1 -0.701 0.063 -0.788 0.00 0.00 +0.159 C BRANCH 165 167 ATOM 166 C UNK A 1 -1.453 -1.067 1.292 0.00 0.00 +0.234 C ATOM 167 N UNK A 1 -1.064 -1.138 -0.033 0.00 0.00 -0.302 N ATOM 168 H UNK A 1 -0.758 -2.047 -0.384 0.00 0.00 +0.150 HD ATOM 169 O UNK A 1 -1.411 -0.015 1.924 0.00 0.00 -0.274 OA BRANCH 166 170 ATOM 170 C UNK A 1 -1.803 -2.401 1.986 0.00 0.00 +0.159 C BRANCH 170 172 ATOM 171 C UNK A 1 -2.028 -4.190 0.235 0.00 0.00 +0.234 C ATOM 172 N UNK A 1 -2.587 -3.320 1.142 0.00 0.00 -0.302 N ATOM 173 H UNK A 1 -3.587 -3.107 1.006 0.00 0.00 +0.150 HD ATOM 174 O UNK A 1 -0.821 -4.155 -0.026 0.00 0.00 -0.274 OA BRANCH 171 175 ATOM 175 C UNK A 1 -2.991 -5.226 -0.394 0.00 0.00 +0.159 C BRANCH 175 177 ATOM 176 C UNK A 1 -1.867 -6.286 -2.336 0.00 0.00 +0.234 C ATOM 177 N UNK A 1 -2.147 -6.258 -0.984 0.00 0.00 -0.302 N ATOM 178 H UNK A 1 -1.362 -6.541 -0.400 0.00 0.00 +0.150 HD ATOM 179 O UNK A 1 -2.437 -5.580 -3.154 0.00 0.00 -0.274 OA BRANCH 176 180 ATOM 180 C UNK A 1 -0.703 -7.259 -2.635 0.00 0.00 +0.159 C BRANCH 180 182 ATOM 181 C UNK A 1 -0.185 -9.133 -1.129 0.00 0.00 +0.234 C ATOM 182 N UNK A 1 -1.076 -8.514 -1.972 0.00 0.00 -0.302 N ATOM 183 H UNK A 1 -2.061 -8.586 -1.746 0.00 0.00 +0.150 HD ATOM 184 O UNK A 1 1.036 -9.020 -1.271 0.00 0.00 -0.274 OA BRANCH 181 185 ATOM 185 C UNK A 1 -0.759 -9.814 0.146 0.00 0.00 +0.159 C BRANCH 185 187 ATOM 186 C UNK A 1 -0.443 -9.384 2.571 0.00 0.00 +0.234 C ATOM 187 N UNK A 1 -0.508 -8.893 1.275 0.00 0.00 -0.302 N ATOM 188 H UNK A 1 0.037 -8.058 1.090 0.00 0.00 +0.150 HD ATOM 189 O UNK A 1 -0.656 -10.571 2.830 0.00 0.00 -0.274 OA BRANCH 186 190 ATOM 190 C UNK A 1 0.058 -8.376 3.639 0.00 0.00 +0.159 C BRANCH 190 192 ATOM 191 C UNK A 1 -2.111 -7.233 4.087 0.00 0.00 +0.234 C ATOM 192 N UNK A 1 -0.768 -7.165 3.756 0.00 0.00 -0.302 N ATOM 193 H UNK A 1 -0.251 -6.364 4.111 0.00 0.00 +0.150 HD ATOM 194 O UNK A 1 -2.825 -8.194 3.830 0.00 0.00 -0.274 OA BRANCH 191 195 ATOM 195 C UNK A 1 -2.667 -5.941 4.755 0.00 0.00 +0.159 C BRANCH 195 197 ATOM 196 C UNK A 1 -5.126 -6.019 5.439 0.00 0.00 +0.234 C ATOM 197 N UNK A 1 -4.109 -5.782 4.539 0.00 0.00 -0.302 N ATOM 198 H UNK A 1 -4.372 -5.859 3.566 0.00 0.00 +0.150 HD ATOM 199 O UNK A 1 -4.952 -6.316 6.624 0.00 0.00 -0.274 OA BRANCH 196 200 ATOM 200 C UNK A 1 -6.562 -5.846 4.873 0.00 0.00 +0.159 C BRANCH 200 203 ATOM 201 C UNK A 1 -9.620 -6.733 6.930 0.00 0.00 +0.109 C ATOM 202 C UNK A 1 -8.827 -6.432 5.685 0.00 0.00 +0.211 C ATOM 203 N UNK A 1 -7.506 -6.154 5.940 0.00 0.00 -0.304 N ATOM 204 H UNK A 1 -7.103 -6.417 6.839 0.00 0.00 +0.149 HD ATOM 205 O UNK A 1 -9.332 -6.418 4.573 0.00 0.00 -0.276 OA ENDBRANCH 200 203 BRANCH 200 206 ATOM 206 C UNK A 1 -6.826 -4.418 4.352 0.00 0.00 +0.033 C BRANCH 206 207 ATOM 207 C UNK A 1 -6.856 -4.383 2.823 0.00 0.00 +0.023 C BRANCH 207 208 ATOM 208 C UNK A 1 -7.326 -3.034 2.283 0.00 0.00 +0.115 C BRANCH 208 209 ATOM 209 N UNK A 1 -7.559 -3.130 0.850 0.00 0.00 -0.356 N ATOM 210 H UNK A 1 -8.384 -2.614 0.571 0.00 0.00 +0.162 HD BRANCH 209 211 ATOM 211 C UNK A 1 -6.573 -2.995 -0.061 0.00 0.00 +0.188 C ATOM 212 N UNK A 1 -5.303 -2.876 0.174 0.00 0.00 -0.269 NA ATOM 213 H UNK A 1 -4.863 -2.699 -0.749 0.00 0.00 +0.190 HD BRANCH 211 214 ATOM 214 N UNK A 1 -7.059 -2.805 -1.294 0.00 0.00 -0.370 N ATOM 215 H UNK A 1 -6.367 -2.962 -2.047 0.00 0.00 +0.159 HD ATOM 216 H UNK A 1 -7.905 -3.333 -1.513 0.00 0.00 +0.159 HD ENDBRANCH 211 214 ENDBRANCH 209 211 ENDBRANCH 208 209 ENDBRANCH 207 208 ENDBRANCH 206 207 ENDBRANCH 200 206 ENDBRANCH 196 200 ENDBRANCH 195 197 BRANCH 195 217 ATOM 217 C UNK A 1 -2.160 -5.865 6.209 0.00 0.00 +0.033 C BRANCH 217 218 ATOM 218 C UNK A 1 -2.289 -4.464 6.808 0.00 0.00 +0.023 C BRANCH 218 219 ATOM 219 C UNK A 1 -1.579 -4.347 8.154 0.00 0.00 +0.115 C BRANCH 219 220 ATOM 220 N UNK A 1 -1.487 -2.935 8.509 0.00 0.00 -0.356 N ATOM 221 H UNK A 1 -2.365 -2.439 8.401 0.00 0.00 +0.162 HD BRANCH 220 222 ATOM 222 C UNK A 1 -0.848 -2.564 9.646 0.00 0.00 +0.188 C ATOM 223 N UNK A 1 -0.211 -3.348 10.435 0.00 0.00 -0.269 NA ATOM 224 H UNK A 1 0.127 -2.826 11.236 0.00 0.00 +0.190 HD BRANCH 222 225 ATOM 225 N UNK A 1 -0.965 -1.234 9.856 0.00 0.00 -0.370 N ATOM 226 H UNK A 1 -0.243 -0.880 10.472 0.00 0.00 +0.159 HD ATOM 227 H UNK A 1 -0.921 -0.722 8.971 0.00 0.00 +0.159 HD ENDBRANCH 222 225 ENDBRANCH 220 222 ENDBRANCH 219 220 ENDBRANCH 218 219 ENDBRANCH 217 218 ENDBRANCH 195 217 ENDBRANCH 191 195 ENDBRANCH 190 192 BRANCH 190 228 ATOM 228 C UNK A 1 0.272 -9.034 5.025 0.00 0.00 +0.033 C BRANCH 228 229 ATOM 229 C UNK A 1 1.721 -9.507 5.288 0.00 0.00 +0.023 C BRANCH 229 230 ATOM 230 C UNK A 1 1.975 -10.991 5.025 0.00 0.00 +0.115 C BRANCH 230 231 ATOM 231 N UNK A 1 1.930 -11.294 3.602 0.00 0.00 -0.356 N ATOM 232 H UNK A 1 1.000 -11.060 3.239 0.00 0.00 +0.162 HD BRANCH 231 233 ATOM 233 C UNK A 1 2.199 -12.555 3.172 0.00 0.00 +0.188 C ATOM 234 N UNK A 1 3.307 -13.188 3.347 0.00 0.00 -0.269 NA ATOM 235 H UNK A 1 3.965 -12.528 3.779 0.00 0.00 +0.190 HD BRANCH 233 236 ATOM 236 N UNK A 1 1.209 -13.063 2.416 0.00 0.00 -0.370 N ATOM 237 H UNK A 1 0.259 -12.842 2.699 0.00 0.00 +0.159 HD ATOM 238 H UNK A 1 1.352 -14.042 2.195 0.00 0.00 +0.159 HD ENDBRANCH 233 236 ENDBRANCH 231 233 ENDBRANCH 230 231 ENDBRANCH 229 230 ENDBRANCH 228 229 ENDBRANCH 190 228 ENDBRANCH 186 190 ENDBRANCH 185 187 BRANCH 185 239 ATOM 239 C UNK A 1 -2.239 -10.236 0.112 0.00 0.00 +0.033 C BRANCH 239 240 ATOM 240 C UNK A 1 -2.552 -11.269 -0.972 0.00 0.00 +0.023 C BRANCH 240 241 ATOM 241 C UNK A 1 -3.999 -11.762 -0.941 0.00 0.00 +0.115 C BRANCH 241 242 ATOM 242 N UNK A 1 -4.959 -10.691 -1.166 0.00 0.00 -0.356 N ATOM 243 H UNK A 1 -5.123 -10.112 -0.350 0.00 0.00 +0.162 HD BRANCH 242 244 ATOM 244 C UNK A 1 -5.087 -10.069 -2.366 0.00 0.00 +0.188 C ATOM 245 N UNK A 1 -4.470 -10.402 -3.437 0.00 0.00 -0.269 NA ATOM 246 H UNK A 1 -4.739 -9.767 -4.192 0.00 0.00 +0.190 HD BRANCH 244 247 ATOM 247 N UNK A 1 -5.971 -9.060 -2.319 0.00 0.00 -0.370 N ATOM 248 H UNK A 1 -6.353 -8.748 -3.201 0.00 0.00 +0.159 HD ATOM 249 H UNK A 1 -6.653 -9.082 -1.566 0.00 0.00 +0.159 HD ENDBRANCH 244 247 ENDBRANCH 242 244 ENDBRANCH 241 242 ENDBRANCH 240 241 ENDBRANCH 239 240 ENDBRANCH 185 239 ENDBRANCH 181 185 ENDBRANCH 180 182 BRANCH 180 250 ATOM 250 C UNK A 1 -0.400 -7.356 -4.129 0.00 0.00 +0.033 C BRANCH 250 251 ATOM 251 C UNK A 1 0.475 -6.146 -4.497 0.00 0.00 +0.023 C BRANCH 251 252 ATOM 252 C UNK A 1 0.428 -5.743 -5.968 0.00 0.00 +0.115 C BRANCH 252 253 ATOM 253 N UNK A 1 1.125 -4.457 -6.129 0.00 0.00 -0.356 N ATOM 254 H UNK A 1 2.091 -4.530 -5.831 0.00 0.00 +0.162 HD BRANCH 253 255 ATOM 255 C UNK A 1 0.522 -3.323 -5.698 0.00 0.00 +0.188 C ATOM 256 N UNK A 1 -0.744 -3.193 -5.500 0.00 0.00 -0.269 NA ATOM 257 H UNK A 1 -0.940 -2.272 -5.120 0.00 0.00 +0.190 HD BRANCH 255 258 ATOM 258 N UNK A 1 1.395 -2.312 -5.499 0.00 0.00 -0.370 N ATOM 259 H UNK A 1 2.102 -2.271 -6.219 0.00 0.00 +0.159 HD ATOM 260 H UNK A 1 0.960 -1.405 -5.364 0.00 0.00 +0.159 HD ENDBRANCH 255 258 ENDBRANCH 253 255 ENDBRANCH 252 253 ENDBRANCH 251 252 ENDBRANCH 250 251 ENDBRANCH 180 250 ENDBRANCH 176 180 ENDBRANCH 175 177 BRANCH 175 261 ATOM 261 C UNK A 1 -3.869 -5.931 0.642 0.00 0.00 +0.033 C BRANCH 261 262 ATOM 262 C UNK A 1 -5.014 -6.717 -0.005 0.00 0.00 +0.023 C BRANCH 262 263 ATOM 263 C UNK A 1 -5.644 -7.693 0.993 0.00 0.00 +0.115 C BRANCH 263 264 ATOM 264 N UNK A 1 -6.979 -8.107 0.538 0.00 0.00 -0.356 N ATOM 265 H UNK A 1 -7.563 -7.274 0.532 0.00 0.00 +0.162 HD BRANCH 264 266 ATOM 266 C UNK A 1 -7.577 -9.097 1.240 0.00 0.00 +0.188 C ATOM 267 N UNK A 1 -8.556 -8.951 2.056 0.00 0.00 -0.269 NA ATOM 268 H UNK A 1 -8.838 -7.972 2.141 0.00 0.00 +0.190 HD BRANCH 266 269 ATOM 269 N UNK A 1 -7.044 -10.319 1.068 0.00 0.00 -0.370 N ATOM 270 H UNK A 1 -7.599 -10.987 1.596 0.00 0.00 +0.159 HD ATOM 271 H UNK A 1 -7.023 -10.618 0.099 0.00 0.00 +0.159 HD ENDBRANCH 266 269 ENDBRANCH 264 266 ENDBRANCH 263 264 ENDBRANCH 262 263 ENDBRANCH 261 262 ENDBRANCH 175 261 ENDBRANCH 171 175 ENDBRANCH 170 172 BRANCH 170 272 ATOM 272 C UNK A 1 -0.553 -3.080 2.576 0.00 0.00 +0.033 C BRANCH 272 273 ATOM 273 C UNK A 1 -0.056 -2.432 3.876 0.00 0.00 +0.023 C BRANCH 273 274 ATOM 274 C UNK A 1 1.221 -3.096 4.396 0.00 0.00 +0.115 C BRANCH 274 275 ATOM 275 N UNK A 1 0.920 -4.411 4.929 0.00 0.00 -0.356 N ATOM 276 H UNK A 1 0.281 -4.335 5.726 0.00 0.00 +0.162 HD BRANCH 275 277 ATOM 277 C UNK A 1 1.817 -5.371 5.218 0.00 0.00 +0.188 C ATOM 278 N UNK A 1 1.611 -6.129 6.236 0.00 0.00 -0.269 NA ATOM 279 H UNK A 1 2.341 -6.843 6.285 0.00 0.00 +0.190 HD BRANCH 277 280 ATOM 280 N UNK A 1 2.820 -5.589 4.343 0.00 0.00 -0.370 N ATOM 281 H UNK A 1 3.161 -4.782 3.861 0.00 0.00 +0.159 HD ATOM 282 H UNK A 1 3.561 -6.203 4.655 0.00 0.00 +0.159 HD ENDBRANCH 277 280 ENDBRANCH 275 277 ENDBRANCH 274 275 ENDBRANCH 273 274 ENDBRANCH 272 273 ENDBRANCH 170 272 ENDBRANCH 166 170 ENDBRANCH 165 167 BRANCH 165 283 ATOM 283 C UNK A 1 0.779 0.476 -0.690 0.00 0.00 +0.033 C BRANCH 283 284 ATOM 284 C UNK A 1 0.963 1.632 0.312 0.00 0.00 +0.023 C BRANCH 284 285 ATOM 285 C UNK A 1 2.249 2.432 0.101 0.00 0.00 +0.115 C BRANCH 285 286 ATOM 286 N UNK A 1 2.185 3.650 0.916 0.00 0.00 -0.356 N ATOM 287 H UNK A 1 1.231 4.015 0.881 0.00 0.00 +0.162 HD BRANCH 286 288 ATOM 288 C UNK A 1 3.011 4.697 0.676 0.00 0.00 +0.188 C ATOM 289 N UNK A 1 2.527 5.856 0.399 0.00 0.00 -0.269 NA ATOM 290 H UNK A 1 3.307 6.496 0.227 0.00 0.00 +0.190 HD BRANCH 288 291 ATOM 291 N UNK A 1 4.310 4.417 0.811 0.00 0.00 -0.370 N ATOM 292 H UNK A 1 4.903 5.231 0.973 0.00 0.00 +0.159 HD ATOM 293 H UNK A 1 4.476 3.714 1.530 0.00 0.00 +0.159 HD ENDBRANCH 288 291 ENDBRANCH 286 288 ENDBRANCH 285 286 ENDBRANCH 284 285 ENDBRANCH 283 284 ENDBRANCH 165 283 ENDBRANCH 161 165 ENDBRANCH 160 162 BRANCH 160 294 ATOM 294 C UNK A 1 -3.288 -0.347 -4.663 0.00 0.00 +0.033 C BRANCH 294 295 ATOM 295 C UNK A 1 -4.446 0.115 -5.558 0.00 0.00 +0.023 C BRANCH 295 296 ATOM 296 C UNK A 1 -4.119 -0.003 -7.049 0.00 0.00 +0.115 C BRANCH 296 297 ATOM 297 N UNK A 1 -5.360 -0.206 -7.788 0.00 0.00 -0.356 N ATOM 298 H UNK A 1 -5.858 -0.997 -7.376 0.00 0.00 +0.162 HD BRANCH 297 299 ATOM 299 C UNK A 1 -5.291 -0.511 -9.101 0.00 0.00 +0.188 C ATOM 300 N UNK A 1 -5.743 -1.624 -9.533 0.00 0.00 -0.269 NA ATOM 301 H UNK A 1 -5.606 -1.698 -10.546 0.00 0.00 +0.190 HD BRANCH 299 302 ATOM 302 N UNK A 1 -4.822 0.471 -9.891 0.00 0.00 -0.370 N ATOM 303 H UNK A 1 -5.012 1.392 -9.480 0.00 0.00 +0.159 HD ATOM 304 H UNK A 1 -5.231 0.409 -10.821 0.00 0.00 +0.159 HD ENDBRANCH 299 302 ENDBRANCH 297 299 ENDBRANCH 296 297 ENDBRANCH 295 296 ENDBRANCH 294 295 ENDBRANCH 160 294 ENDBRANCH 156 160 ENDBRANCH 155 157 ENDBRANCH 154 155 ENDBRANCH 1 154 TORSDOF 125