REMARK Name = BDB026297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.156 0.645 0.577 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.675 1.625 1.457 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.524 2.445 2.098 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.686 1.784 1.714 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.620 0.955 1.088 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.155 -0.033 0.187 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.213 -0.178 -0.064 0.00 0.00 +0.036 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 6.787 0.238 -0.198 0.00 0.00 +0.403 C ATOM 9 N LIG 1 5.403 0.271 -0.164 0.00 0.00 -0.263 N ATOM 10 C LIG 1 4.724 1.471 -0.635 0.00 0.00 +0.116 C ATOM 11 C LIG 1 3.444 1.738 0.156 0.00 0.00 +0.054 C ATOM 12 C LIG 1 2.603 0.493 0.292 0.00 0.00 -0.038 C ATOM 13 C LIG 1 3.176 -0.720 0.160 0.00 0.00 -0.004 C ATOM 14 C LIG 1 4.631 -0.962 -0.120 0.00 0.00 +0.138 C ATOM 15 O LIG 1 7.493 1.212 -0.433 0.00 0.00 -0.226 OA BRANCH 8 16 ATOM 16 O LIG 1 7.280 -1.006 0.056 0.00 0.00 -0.448 OA BRANCH 16 18 ATOM 17 C LIG 1 9.055 -2.350 0.908 0.00 0.00 +0.052 C ATOM 18 C LIG 1 8.713 -1.142 0.044 0.00 0.00 +0.172 C ATOM 19 C LIG 1 9.194 -1.352 -1.388 0.00 0.00 +0.052 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 5 20 ATOM 20 N LIG 1 -3.022 1.069 1.293 0.00 0.00 -0.326 N ATOM 21 C LIG 1 -3.567 2.295 0.657 0.00 0.00 +0.123 C ATOM 22 C LIG 1 -5.117 2.332 0.818 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -5.699 3.552 0.097 0.00 0.00 +0.026 C ATOM 24 N LIG 1 -5.590 2.207 2.226 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -5.349 3.399 3.038 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -4.958 1.013 2.840 0.00 0.00 +0.103 C ATOM 27 C LIG 1 -3.416 0.953 2.716 0.00 0.00 +0.120 C ENDBRANCH 5 20 BRANCH 6 28 ATOM 28 N LIG 1 -2.158 -0.827 -0.406 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.088 -0.548 -0.100 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.014 -1.848 -1.313 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -0.979 -2.272 -1.806 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.291 -2.483 -1.724 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.584 -2.695 -3.084 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.789 -3.343 -3.416 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -5.669 -3.750 -2.417 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.811 -4.359 -2.756 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.380 -3.536 -1.076 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -4.187 -2.906 -0.725 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -2.652 -2.244 -4.182 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -1.596 -3.075 -4.373 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.285 -2.188 -5.394 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.159 -0.990 -3.994 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7