REMARK Name = BDB054168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.360 0.388 -0.442 0.00 0.00 +0.311 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.768 0.188 0.114 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -2.573 1.297 0.422 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.870 1.118 0.911 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.372 -0.169 1.092 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 -5.970 -0.385 1.693 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 -3.591 -1.280 0.786 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -2.295 -1.103 0.296 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 O LIG 1 0.169 -0.728 -2.593 0.00 0.00 -0.246 OA ATOM 10 C LIG 1 -0.360 0.177 -1.966 0.00 0.00 +0.351 C BRANCH 10 11 ATOM 11 O LIG 1 -1.013 1.157 -2.634 0.00 0.00 -0.478 OA ATOM 12 H LIG 1 -0.965 0.873 -3.572 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 1 13 ATOM 13 O LIG 1 0.500 -0.508 0.260 0.00 0.00 -0.470 OA BRANCH 13 14 ATOM 14 C LIG 1 1.852 -0.310 0.232 0.00 0.00 +0.157 A ATOM 15 C LIG 1 2.605 -1.233 0.971 0.00 0.00 +0.166 A ATOM 16 F LIG 1 1.987 -2.218 1.640 0.00 0.00 -0.202 F ATOM 17 C LIG 1 3.993 -1.160 1.037 0.00 0.00 +0.062 A ATOM 18 C LIG 1 4.647 -0.145 0.351 0.00 0.00 +0.044 A ATOM 19 CL LIG 1 6.362 -0.033 0.418 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 3.921 0.785 -0.392 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.523 0.705 -0.453 0.00 0.00 +0.050 A ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 5