REMARK Name = BDB025914 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.045 -0.979 -0.126 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.303 0.187 0.171 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.095 0.175 0.109 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.799 -0.990 -0.254 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.038 -2.134 -0.544 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.647 -3.274 -0.905 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.355 -2.139 -0.483 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -6.265 0.083 -0.697 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.650 -1.226 -1.224 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.005 -2.456 -0.470 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.311 -2.442 0.171 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.931 -2.918 0.429 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.024 -1.812 1.008 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.459 -0.923 -0.040 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.107 -1.061 -1.371 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.268 -0.997 -0.326 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.014 0.040 -0.849 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.364 0.061 -0.925 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.035 -1.002 -0.454 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.407 -2.064 0.072 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.055 -2.038 0.122 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.409 -1.012 -0.539 0.00 0.00 -0.297 N ATOM 23 C LIG 1 7.083 0.215 -0.962 0.00 0.00 +0.123 C ATOM 24 C LIG 1 8.586 -0.065 -1.182 0.00 0.00 +0.103 C ATOM 25 N LIG 1 9.299 -0.546 0.025 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 10.445 -1.368 -0.351 0.00 0.00 +0.105 C ATOM 27 C LIG 1 8.387 -1.263 0.943 0.00 0.00 +0.103 C ATOM 28 C LIG 1 7.167 -1.953 0.288 0.00 0.00 +0.123 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.068 1.320 0.521 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.068 1.122 0.492 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.620 2.555 0.915 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.467 2.922 1.089 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.702 3.523 1.199 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.541 4.019 0.186 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -4.556 4.923 0.547 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -4.700 5.327 1.871 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -5.672 6.190 2.192 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.850 4.854 2.863 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.843 3.951 2.528 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.372 3.607 -1.251 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.830 2.345 -1.476 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.086 3.635 -1.684 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.067 4.401 -2.115 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6