REMARK Name = BDB063756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.376 0.466 0.168 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.138 1.723 0.853 0.00 0.00 -0.014 A ATOM 3 C LIG 1 0.178 1.786 2.256 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.628 2.939 2.897 0.00 0.00 +0.126 A ATOM 5 F LIG 1 0.668 2.971 4.235 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.034 4.051 2.175 0.00 0.00 +0.076 A ATOM 7 C LIG 1 0.976 4.001 0.791 0.00 0.00 +0.126 A ATOM 8 F LIG 1 1.354 5.070 0.078 0.00 0.00 -0.205 F ATOM 9 C LIG 1 0.530 2.860 0.126 0.00 0.00 +0.044 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 0.076 0.423 -2.217 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 0.449 0.100 -1.085 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 1.739 -0.646 -0.935 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.385 -1.080 -2.104 0.00 0.00 +0.013 A ATOM 14 C LIG 1 3.594 -1.780 -2.035 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.165 -2.048 -0.795 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 5.651 -2.908 -0.703 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 3.538 -1.621 0.374 0.00 0.00 +0.020 A ATOM 18 C LIG 1 2.327 -0.920 0.307 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 -1.783 0.724 -0.221 0.00 0.00 -0.330 N ATOM 20 H LIG 1 -1.776 1.132 -1.161 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.593 -0.427 -0.209 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -2.988 -1.033 -1.408 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -3.758 -2.199 -1.395 0.00 0.00 +0.022 A ATOM 24 C LIG 1 -4.136 -2.765 -0.180 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -5.082 -4.201 -0.163 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -3.750 -2.175 1.021 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -2.978 -1.011 1.004 0.00 0.00 +0.024 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5