REMARK Name = BDB025623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.789 -1.445 0.292 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.297 -0.166 -0.057 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.078 0.095 -0.035 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.005 -0.904 0.320 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.490 -2.166 0.657 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.322 -3.165 0.993 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.123 -2.440 0.647 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -5.663 -3.802 0.301 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -4.348 -3.656 0.920 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -4.210 -2.319 1.542 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -2.745 -1.844 1.635 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -2.189 -1.660 0.268 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -2.627 -2.693 -0.709 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -3.252 -3.934 -0.032 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 3.449 -0.628 0.334 0.00 0.00 +0.021 A ATOM 16 C LIG 1 4.094 0.117 -0.635 0.00 0.00 +0.124 A ATOM 17 N LIG 1 5.418 0.388 -0.648 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 6.156 -0.102 0.355 0.00 0.00 +0.215 A ATOM 19 N LIG 1 5.641 -0.839 1.350 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 4.311 -1.083 1.314 0.00 0.00 +0.124 A BRANCH 18 21 ATOM 21 N LIG 1 7.536 0.107 0.433 0.00 0.00 -0.311 N ATOM 22 H LIG 1 7.798 -0.206 1.362 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 8.266 1.230 -0.146 0.00 0.00 +0.073 C ATOM 24 C LIG 1 7.693 2.607 -0.316 0.00 0.00 +0.024 C ATOM 25 C LIG 1 8.041 1.778 -1.524 0.00 0.00 +0.024 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 4 15 BRANCH 2 26 ATOM 26 N LIG 1 -1.278 0.782 -0.421 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.218 0.391 -0.359 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.092 2.062 -0.876 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.027 2.633 -1.072 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.373 2.749 -1.213 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.401 3.097 -0.237 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.511 3.740 -0.653 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -4.695 4.090 -2.084 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -5.708 4.656 -2.472 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.664 3.738 -2.918 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.777 3.996 -3.893 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.526 3.093 -2.502 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.181 2.763 1.204 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -3.282 1.426 1.417 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.102 3.345 2.016 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.966 3.155 1.655 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 7