REMARK Name = BDB034565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.220 -1.392 -0.561 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.099 -1.163 -0.223 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.229 -0.475 0.517 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.647 -2.153 -1.422 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.421 0.101 0.789 0.00 0.00 -0.026 A ATOM 6 C LIG 1 3.866 0.916 1.790 0.00 0.00 +0.037 A ATOM 7 C LIG 1 2.483 0.934 2.001 0.00 0.00 +0.145 A ATOM 8 N LIG 1 1.633 0.182 1.246 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 2.182 -0.586 0.265 0.00 0.00 +0.127 A ATOM 10 C LIG 1 3.546 -0.654 0.004 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 1.922 1.837 3.093 0.00 0.00 +0.434 C ATOM 12 F LIG 1 0.621 1.578 3.410 0.00 0.00 -0.164 F ATOM 13 F LIG 1 1.973 3.159 2.762 0.00 0.00 -0.164 F ATOM 14 F LIG 1 2.613 1.726 4.266 0.00 0.00 -0.164 F ENDBRANCH 7 11 BRANCH 5 16 ATOM 15 C LIG 1 6.484 -1.238 0.089 0.00 0.00 +0.029 C ATOM 16 C LIG 1 5.933 0.123 0.559 0.00 0.00 +0.084 C BRANCH 16 17 ATOM 17 N LIG 1 6.279 1.331 -0.201 0.00 0.00 -0.290 NA ATOM 18 C LIG 1 7.720 1.521 -0.446 0.00 0.00 +0.123 C ATOM 19 C LIG 1 7.366 2.017 -1.869 0.00 0.00 +0.194 C ATOM 20 F LIG 1 7.274 3.361 -2.028 0.00 0.00 -0.243 F ATOM 21 C LIG 1 6.035 1.258 -1.654 0.00 0.00 +0.123 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.256 -1.721 -0.793 0.00 0.00 +0.034 A ATOM 23 C LIG 1 -2.490 -1.313 -0.262 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -3.729 -1.781 -0.753 0.00 0.00 -0.035 A ATOM 25 C LIG 1 -3.663 -2.691 -1.826 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -2.444 -3.116 -2.360 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -1.244 -2.633 -1.842 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -5.125 -1.298 -0.130 0.00 0.00 +0.049 C ATOM 29 C LIG 1 -5.271 -1.303 1.421 0.00 0.00 +0.174 C ATOM 30 O LIG 1 -6.605 -1.875 1.308 0.00 0.00 -0.378 OA ATOM 31 C LIG 1 -6.251 -2.370 -0.014 0.00 0.00 +0.174 C BRANCH 28 32 ATOM 32 C LIG 1 -5.654 -0.028 -0.829 0.00 0.00 +0.092 C BRANCH 32 33 ATOM 33 C LIG 1 -5.012 1.230 -0.348 0.00 0.00 +0.134 A ATOM 34 N LIG 1 -5.636 2.205 0.389 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -7.003 2.234 0.835 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -4.697 3.159 0.633 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -3.562 2.805 0.079 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -3.763 1.600 -0.547 0.00 0.00 -0.135 NA ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 2 22 TORSDOF 8