REMARK Name = BDB038830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.662 -0.571 -0.976 0.00 0.00 +0.025 A ATOM 2 C LIG 1 2.394 0.049 -0.895 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.667 0.314 -2.060 0.00 0.00 +0.047 A ATOM 4 C LIG 1 2.169 -0.069 -3.308 0.00 0.00 +0.018 A ATOM 5 C LIG 1 3.403 -0.717 -3.400 0.00 0.00 +0.060 A ATOM 6 C LIG 1 4.140 -0.969 -2.238 0.00 0.00 +0.027 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 5.508 -0.089 0.731 0.00 0.00 -0.002 A ATOM 8 C LIG 1 4.451 -0.886 0.229 0.00 0.00 -0.008 A ATOM 9 C LIG 1 4.119 -2.086 0.905 0.00 0.00 +0.009 A ATOM 10 C LIG 1 4.803 -2.507 2.043 0.00 0.00 +0.003 A ATOM 11 C LIG 1 5.846 -1.737 2.529 0.00 0.00 +0.038 A ATOM 12 C LIG 1 6.187 -0.555 1.878 0.00 0.00 +0.127 A ATOM 13 F LIG 1 7.214 0.150 2.379 0.00 0.00 -0.205 F BRANCH 7 15 ATOM 14 C LIG 1 4.933 2.245 -0.241 0.00 0.00 +0.012 C ATOM 15 C LIG 1 6.008 1.223 0.135 0.00 0.00 +0.016 C ATOM 16 C LIG 1 6.971 0.982 -1.029 0.00 0.00 +0.012 C ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 5 17 ATOM 17 C LIG 1 3.971 -1.148 -4.700 0.00 0.00 +0.337 C ATOM 18 O LIG 1 5.038 -1.710 -4.862 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 3.171 -0.856 -5.741 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 3.668 -1.191 -6.517 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 2 21 ATOM 21 O LIG 1 1.973 0.411 0.359 0.00 0.00 -0.488 OA BRANCH 21 22 ATOM 22 C LIG 1 0.576 0.408 0.621 0.00 0.00 +0.175 C ATOM 23 C LIG 1 -0.034 -0.992 0.624 0.00 0.00 +0.066 C ATOM 24 C LIG 1 -1.286 -0.868 1.496 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -1.065 0.376 2.374 0.00 0.00 +0.026 C ATOM 26 C LIG 1 0.348 0.849 2.064 0.00 0.00 +0.046 C BRANCH 24 27 ATOM 27 N LIG 1 -2.489 -0.740 0.689 0.00 0.00 -0.311 N ATOM 28 H LIG 1 -2.435 -0.249 -0.194 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -3.744 -0.943 1.249 0.00 0.00 +0.230 C ATOM 30 O LIG 1 -3.883 -1.346 2.400 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.903 -0.663 0.266 0.00 0.00 +0.143 C ATOM 32 N LIG 1 -6.227 -0.853 0.890 0.00 0.00 -0.294 NA ATOM 33 C LIG 1 -6.666 -2.240 0.890 0.00 0.00 +0.105 C ATOM 34 C LIG 1 -7.145 0.033 0.179 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -6.328 1.325 0.073 0.00 0.00 -0.020 C ATOM 36 C LIG 1 -6.849 2.231 -1.044 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -6.341 2.104 1.403 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -4.912 0.798 -0.221 0.00 0.00 +0.036 C ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 8