REMARK Name = BDB037578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.088 -2.427 0.869 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.963 -1.332 0.899 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.560 -0.011 0.857 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.740 0.767 0.727 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.819 -0.033 0.731 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.868 0.406 0.894 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.718 -0.746 1.465 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.339 -1.280 0.945 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.292 -2.134 0.927 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.159 -2.966 0.627 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.810 2.240 0.638 0.00 0.00 +0.267 C ATOM 12 N LIG 1 -2.676 2.838 -0.285 0.00 0.00 -0.289 N ATOM 13 C LIG 1 -3.529 2.135 -1.266 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -2.696 1.550 -2.412 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -4.615 3.087 -1.812 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -4.090 4.269 -2.424 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -2.958 4.825 -1.741 0.00 0.00 +0.179 C ATOM 18 C LIG 1 -2.752 4.300 -0.318 0.00 0.00 +0.136 C ATOM 19 O LIG 1 -1.080 2.925 1.358 0.00 0.00 -0.268 OA ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 1.208 0.867 -0.521 0.00 0.00 -0.037 A ATOM 21 C LIG 1 1.233 0.005 -1.633 0.00 0.00 +0.007 A ATOM 22 C LIG 1 1.551 0.489 -2.904 0.00 0.00 +0.038 A ATOM 23 C LIG 1 1.848 1.835 -3.075 0.00 0.00 +0.123 A ATOM 24 F LIG 1 2.150 2.295 -4.296 0.00 0.00 -0.205 F ATOM 25 C LIG 1 1.835 2.708 -1.997 0.00 0.00 +0.038 A ATOM 26 C LIG 1 1.519 2.226 -0.726 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.308 -2.308 1.310 0.00 0.00 +0.114 C ATOM 28 C LIG 1 -4.014 -2.881 0.072 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -5.403 -3.405 0.410 0.00 0.00 +0.162 C ATOM 30 O LIG 1 -5.393 -3.957 1.722 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -5.273 -2.956 2.735 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -4.342 -1.816 2.335 0.00 0.00 +0.055 C ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 3.158 -0.583 1.249 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.634 -1.376 0.830 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.875 0.408 1.873 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.365 1.221 2.634 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.338 0.438 1.601 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.877 -0.035 0.397 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.264 0.015 0.169 0.00 0.00 +0.056 A ATOM 40 C LIG 1 8.097 0.565 1.156 0.00 0.00 +0.012 A ATOM 41 C LIG 1 7.560 1.051 2.349 0.00 0.00 +0.001 A ATOM 42 C LIG 1 6.184 0.992 2.569 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.841 -0.472 -1.138 0.00 0.00 +0.417 C ATOM 44 F LIG 1 7.877 0.505 -2.085 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.119 -0.929 -1.022 0.00 0.00 -0.166 F ATOM 46 F LIG 1 7.129 -1.497 -1.683 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.515 -3.875 -1.095 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.437 -3.776 0.423 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 7