REMARK Name = BDB063760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.283 -0.142 -0.212 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.178 1.083 0.569 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -0.441 2.336 -0.021 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -0.280 2.622 -1.718 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -0.860 3.419 0.757 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.016 3.264 2.126 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -1.419 4.303 2.868 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -0.760 2.047 2.740 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -0.341 0.963 1.967 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 -0.266 -0.722 -2.514 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 -0.670 -0.540 -1.362 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 -2.122 -0.730 -1.085 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.032 -0.429 -2.108 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.404 -0.583 -1.899 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.867 -1.048 -0.670 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.556 -1.240 -0.408 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.968 -1.366 0.348 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.593 -1.212 0.142 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 1.627 0.116 -0.770 0.00 0.00 -0.330 N ATOM 20 H LIG 1 1.573 0.072 -1.794 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 2.748 -0.560 -0.282 0.00 0.00 +0.029 A ATOM 22 C LIG 1 3.809 -0.828 -1.159 0.00 0.00 +0.043 A ATOM 23 C LIG 1 4.976 -1.447 -0.708 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 6.248 -1.788 -1.817 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 5.123 -1.786 0.633 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.100 -1.486 1.527 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.930 -0.866 1.072 0.00 0.00 +0.023 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5