REMARK Name = BDB005200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.250 -0.799 -0.389 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -1.740 0.642 -0.068 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -2.753 1.142 -1.082 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -3.946 1.454 -0.429 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -5.054 1.941 -1.089 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -4.943 2.115 -2.468 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.751 1.806 -3.147 0.00 0.00 +0.020 A ATOM 8 CL LIG 1 -6.288 2.719 -3.356 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -3.824 1.209 0.927 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -4.538 1.363 1.624 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -2.641 1.314 -2.453 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -2.559 0.735 1.252 0.00 0.00 +0.230 C ATOM 13 O LIG 1 -2.194 0.453 2.381 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -0.431 1.459 0.009 0.00 0.00 +0.069 C ATOM 15 C LIG 1 0.511 0.430 0.649 0.00 0.00 +0.150 C ATOM 16 N LIG 1 0.179 -0.873 -0.004 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 0.735 -0.948 -0.861 0.00 0.00 +0.123 HD ENDROOT BRANCH 14 18 ATOM 18 C LIG 1 -0.541 2.841 0.639 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -0.111 3.151 1.936 0.00 0.00 +0.127 A ATOM 20 F LIG 1 0.455 2.221 2.714 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -0.248 4.433 2.470 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -0.819 5.450 1.708 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -1.240 5.174 0.412 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -1.943 6.420 -0.543 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -1.099 3.889 -0.121 0.00 0.00 +0.026 A ENDBRANCH 14 18 BRANCH 15 26 ATOM 26 C LIG 1 2.003 0.727 0.428 0.00 0.00 +0.231 C ATOM 27 N LIG 1 2.824 -0.255 0.953 0.00 0.00 -0.311 N ATOM 28 H LIG 1 2.346 -1.053 1.364 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 2.424 1.710 -0.173 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 4.286 -0.193 0.862 0.00 0.00 +0.078 C ATOM 31 C LIG 1 4.862 -0.544 -0.527 0.00 0.00 +0.057 C ATOM 32 C LIG 1 5.964 -1.374 0.188 0.00 0.00 +0.067 C ATOM 33 C LIG 1 7.269 -0.627 0.429 0.00 0.00 +0.041 C ATOM 34 C LIG 1 5.014 -1.436 1.417 0.00 0.00 +0.057 C BRANCH 32 35 ATOM 35 O LIG 1 6.267 -2.650 -0.418 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 5.410 -3.079 -0.579 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 27 30 ENDBRANCH 15 26 BRANCH 1 37 ATOM 37 C LIG 1 -2.080 -1.941 0.234 0.00 0.00 +0.026 C BRANCH 37 39 ATOM 38 C LIG 1 -0.440 -3.903 -0.083 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -1.868 -3.385 -0.314 0.00 0.00 -0.036 C ATOM 40 C LIG 1 -2.198 -3.463 -1.815 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -2.841 -4.317 0.441 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 6