REMARK Name = BDB037370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.742 -0.942 0.281 0.00 0.00 +0.074 A ATOM 2 C LIG 1 0.571 -0.279 -0.165 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.818 -0.256 0.375 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -1.621 0.882 -0.286 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -1.341 0.986 -1.811 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.012 0.885 -2.263 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -2.281 1.212 -2.595 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 0.916 0.310 -1.370 0.00 0.00 +0.135 A ATOM 9 N LIG 1 2.280 0.066 -1.534 0.00 0.00 -0.218 N ATOM 10 N LIG 1 2.730 -0.834 -0.619 0.00 0.00 -0.169 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.374 -1.664 0.156 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.839 -2.369 1.286 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.310 -3.678 1.177 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.337 -4.285 -0.069 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.774 -5.550 -0.168 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.922 -3.606 -1.211 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.444 -2.296 -1.102 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 3.218 0.637 -2.429 0.00 0.00 +0.067 A ATOM 19 C LIG 1 3.112 1.976 -2.805 0.00 0.00 +0.028 A ATOM 20 C LIG 1 4.005 2.510 -3.732 0.00 0.00 +0.002 A ATOM 21 C LIG 1 5.014 1.711 -4.269 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.159 0.386 -3.852 0.00 0.00 +0.002 A ATOM 23 C LIG 1 4.277 -0.147 -2.915 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.079 0.752 -0.159 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.558 0.553 -1.035 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.781 0.724 1.016 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.279 0.842 2.131 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.239 0.429 0.854 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.886 -0.339 1.829 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.203 -0.796 1.616 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.861 -0.455 0.421 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.239 0.365 -0.523 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.935 0.815 -0.302 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -7.864 -1.693 2.635 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.786 -1.204 3.907 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.192 -1.899 2.399 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.296 -2.930 2.673 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 0.173 0.973 -3.721 0.00 0.00 +0.112 C ATOM 39 C LIG 1 0.051 2.402 -4.254 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.956 -1.771 1.518 0.00 0.00 +0.099 C BRANCH 40 42 ATOM 41 C LIG 1 0.948 -1.311 3.793 0.00 0.00 +0.020 C ATOM 42 C LIG 1 1.788 -0.980 2.790 0.00 0.00 +0.035 C BRANCH 42 43 ATOM 43 C LIG 1 2.614 0.246 2.972 0.00 0.00 +0.335 C ATOM 44 O LIG 1 2.213 1.260 3.522 0.00 0.00 -0.245 OA BRANCH 43 45 ATOM 45 O LIG 1 3.823 0.059 2.401 0.00 0.00 -0.456 OA BRANCH 45 46 ATOM 46 C LIG 1 4.791 1.137 2.314 0.00 0.00 +0.106 C ATOM 47 C LIG 1 6.056 0.485 1.731 0.00 0.00 +0.055 C ATOM 48 C LIG 1 5.136 1.715 3.696 0.00 0.00 +0.055 C ATOM 49 C LIG 1 4.279 2.227 1.368 0.00 0.00 +0.055 C ENDBRANCH 45 46 ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11