REMARK Name = BDB062263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 0.946 -0.193 0.00 0.00 +0.064 A ATOM 2 C LIG 1 -1.787 2.271 -0.064 0.00 0.00 +0.176 A ATOM 3 O LIG 1 -3.144 2.323 0.077 0.00 0.00 -0.354 OA ATOM 4 N LIG 1 -3.675 1.053 0.077 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -2.635 0.225 -0.061 0.00 0.00 +0.122 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.848 -1.218 -0.090 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.327 -1.844 -1.263 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -3.544 -3.236 -1.256 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.281 -3.997 -0.119 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.801 -3.380 1.032 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -2.587 -1.999 1.052 0.00 0.00 +0.051 A ATOM 12 CL LIG 1 -1.994 -1.317 2.529 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 C LIG 1 -3.610 -1.058 -2.523 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -3.825 -1.862 -3.606 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -2.570 -0.254 -2.886 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.709 -0.266 -2.436 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 5 6 BRANCH 2 17 ATOM 17 C LIG 1 -0.910 3.558 -0.068 0.00 0.00 +0.038 A ATOM 18 C LIG 1 0.462 3.646 -0.143 0.00 0.00 +0.094 A ATOM 19 N LIG 1 0.803 4.976 -0.103 0.00 0.00 -0.366 N ATOM 20 H LIG 1 1.748 5.338 -0.133 0.00 0.00 +0.165 HD ATOM 21 C LIG 1 -0.332 5.736 -0.003 0.00 0.00 +0.083 A ATOM 22 C LIG 1 -1.411 4.882 0.026 0.00 0.00 +0.030 A ENDBRANCH 2 17 BRANCH 1 23 ATOM 23 C LIG 1 -0.063 0.366 -0.427 0.00 0.00 +0.270 C BRANCH 23 24 ATOM 24 O LIG 1 0.681 0.323 0.790 0.00 0.00 -0.487 OA BRANCH 24 29 ATOM 25 C LIG 1 4.470 -1.420 0.983 0.00 0.00 +0.094 A ATOM 26 C LIG 1 3.844 -1.303 -0.259 0.00 0.00 +0.141 A ATOM 27 F LIG 1 4.421 -1.750 -1.383 0.00 0.00 -0.205 F ATOM 28 C LIG 1 2.576 -0.726 -0.376 0.00 0.00 +0.084 A ATOM 29 C LIG 1 1.914 -0.262 0.758 0.00 0.00 +0.124 A ATOM 30 C LIG 1 2.533 -0.380 2.006 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.800 -0.957 2.122 0.00 0.00 +0.021 A BRANCH 25 33 ATOM 32 O LIG 1 6.295 -2.327 2.239 0.00 0.00 -0.245 OA ATOM 33 C LIG 1 5.807 -2.022 1.165 0.00 0.00 +0.340 C BRANCH 33 34 ATOM 34 O LIG 1 6.494 -2.182 0.024 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 7.348 -2.575 0.302 0.00 0.00 +0.295 HD ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8