REMARK Name = BDB040285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.387 0.899 -0.317 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.809 1.204 0.940 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.454 0.941 1.221 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.694 0.369 0.205 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.250 -0.019 0.191 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.056 -0.569 -1.147 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.239 -0.524 -1.891 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.487 -0.878 -3.029 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.267 0.068 -1.026 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.597 0.315 -1.315 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.210 -1.035 -1.595 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.312 -1.059 -0.720 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.611 -1.465 -1.107 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -3.757 -1.876 -2.444 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.680 -1.886 -3.328 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.418 -1.468 -2.905 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.863 -1.440 -0.075 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -5.828 -2.678 -0.193 0.00 0.00 +0.090 C ATOM 19 C LIG 1 -5.897 -2.745 1.345 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -5.843 -3.988 1.871 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -6.960 -2.135 1.914 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.580 -1.951 1.384 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 -5.603 -0.082 -0.191 0.00 0.00 +0.244 C ATOM 24 F LIG 1 -6.887 -0.259 0.243 0.00 0.00 -0.236 F BRANCH 23 25 ATOM 25 C LIG 1 -4.975 1.048 0.559 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -5.657 2.148 1.017 0.00 0.00 -0.318 N ATOM 27 C LIG 1 -7.060 2.437 0.878 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -4.740 2.931 1.648 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -3.561 2.362 1.583 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -3.707 1.183 0.899 0.00 0.00 -0.132 NA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 1.848 1.282 2.556 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.011 2.351 2.481 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.108 0.259 3.067 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.767 1.590 3.511 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.851 1.187 -0.567 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.685 0.292 0.230 0.00 0.00 -0.310 NA ATOM 37 H LIG 1 6.494 -0.673 -0.038 0.00 0.00 +0.122 HD BRANCH 36 39 ATOM 38 C LIG 1 8.837 -0.167 1.235 0.00 0.00 +0.023 C ATOM 39 C LIG 1 8.118 0.575 0.106 0.00 0.00 +0.048 C ATOM 40 C LIG 1 8.688 0.138 -1.244 0.00 0.00 +0.023 C ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 8