REMARK Name = BDB020166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.187 -0.035 -0.779 0.00 0.00 +0.040 A ATOM 2 C LIG 1 0.130 0.909 0.252 0.00 0.00 +0.059 A ATOM 3 C LIG 1 1.169 1.827 0.435 0.00 0.00 +0.131 A ATOM 4 C LIG 1 2.265 1.802 -0.430 0.00 0.00 +0.051 A ATOM 5 C LIG 1 2.331 0.873 -1.486 0.00 0.00 -0.024 A ATOM 6 C LIG 1 1.280 -0.039 -1.653 0.00 0.00 +0.018 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -1.598 -1.433 0.107 0.00 0.00 -0.304 N ATOM 8 H LIG 1 -1.337 -1.112 1.027 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -0.900 -1.025 -1.006 0.00 0.00 +0.245 C ATOM 10 O LIG 1 -1.105 -1.453 -2.136 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -2.737 -2.327 0.015 0.00 0.00 +0.107 C BRANCH 11 18 ATOM 12 C LIG 1 -5.790 1.603 1.101 0.00 0.00 +0.047 C ATOM 13 C LIG 1 -5.513 0.330 0.362 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -6.486 -0.226 -0.470 0.00 0.00 +0.126 A ATOM 15 F LIG 1 -7.665 0.394 -0.625 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -6.260 -1.418 -1.146 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -5.044 -2.083 -0.988 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -4.044 -1.562 -0.147 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -4.298 -0.351 0.526 0.00 0.00 +0.011 A ENDBRANCH 11 18 BRANCH 11 20 ATOM 20 C LIG 1 -2.693 -3.261 1.203 0.00 0.00 +0.014 C ATOM 21 C LIG 1 -2.971 -2.818 2.623 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -3.910 -3.775 1.940 0.00 0.00 +0.006 C ENDBRANCH 11 20 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 O LIG 1 0.981 2.684 1.482 0.00 0.00 -0.406 OA BRANCH 23 24 ATOM 24 C LIG 1 1.990 3.648 1.742 0.00 0.00 +0.575 C ATOM 25 F LIG 1 3.157 3.053 2.061 0.00 0.00 -0.133 F ATOM 26 F LIG 1 1.600 4.401 2.796 0.00 0.00 -0.133 F ATOM 27 F LIG 1 2.165 4.467 0.684 0.00 0.00 -0.133 F ENDBRANCH 23 24 ENDBRANCH 3 23 BRANCH 5 28 ATOM 28 C LIG 1 3.509 0.862 -2.439 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 N LIG 1 4.748 0.580 -1.746 0.00 0.00 -0.313 N ATOM 30 C LIG 1 5.695 1.530 -1.340 0.00 0.00 +0.204 A ATOM 31 N LIG 1 5.725 2.800 -1.527 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 4.915 3.095 -2.068 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 6.654 0.782 -0.652 0.00 0.00 -0.320 N ATOM 34 C LIG 1 7.845 1.360 -0.085 0.00 0.00 +0.152 C ATOM 35 C LIG 1 6.305 -0.558 -0.653 0.00 0.00 +0.106 A ATOM 36 C LIG 1 5.144 -0.682 -1.310 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8