REMARK Name = BDB009527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 -1.085 0.718 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.052 -0.437 0.259 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -1.043 -1.213 0.581 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.494 -2.330 1.186 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.205 -3.380 1.619 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.515 -3.241 1.385 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -3.136 -2.186 0.806 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.421 -1.123 0.398 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.862 -2.238 1.271 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 7.524 -0.295 -0.576 0.00 0.00 +0.121 A ATOM 11 C LIG 1 6.592 0.570 0.007 0.00 0.00 +0.054 A ATOM 12 C LIG 1 5.256 0.181 0.199 0.00 0.00 -0.014 A ATOM 13 C LIG 1 4.849 -1.107 -0.207 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.512 -1.497 -0.019 0.00 0.00 +0.020 A ATOM 15 C LIG 1 2.572 -0.627 0.553 0.00 0.00 +0.018 A ATOM 16 C LIG 1 2.993 0.637 0.975 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.790 -1.970 -0.789 0.00 0.00 +0.012 A ATOM 18 C LIG 1 4.320 1.040 0.793 0.00 0.00 +0.009 A ATOM 19 C LIG 1 7.118 -1.567 -0.973 0.00 0.00 +0.046 A BRANCH 10 21 ATOM 20 C LIG 1 9.778 -0.630 -1.253 0.00 0.00 +0.277 C ATOM 21 O LIG 1 8.784 0.222 -0.698 0.00 0.00 -0.495 OA ENDBRANCH 10 21 ENDBRANCH 1 15 BRANCH 6 22 ATOM 22 C LIG 1 -3.384 -4.393 1.819 0.00 0.00 +0.375 C ATOM 23 O LIG 1 -3.021 -5.426 2.357 0.00 0.00 -0.242 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.700 -4.204 1.559 0.00 0.00 -0.475 OA ATOM 25 H LIG 1 -5.121 -5.023 1.890 0.00 0.00 +0.296 HD ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 8 26 ATOM 26 N LIG 1 -3.028 -0.018 -0.172 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.600 0.842 0.153 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.483 0.125 -0.307 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -5.263 -0.172 0.971 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -5.096 -0.587 -1.516 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.856 -2.087 -1.863 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.967 -1.675 -3.347 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.487 -0.274 -2.913 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 0.031 0.752 -0.584 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.391 2.025 0.124 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.475 2.156 1.518 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.873 3.363 2.100 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.184 4.474 1.305 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.101 4.348 -0.087 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.704 3.142 -0.669 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -1.636 5.770 1.936 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.311 6.865 1.195 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.097 5.981 3.168 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.986 5.817 2.103 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10