REMARK Name = BDB063008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.497 0.578 -0.918 0.00 0.00 +0.230 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.433 0.892 0.111 0.00 0.00 -0.490 OA BRANCH 2 8 ATOM 3 CL LIG 1 7.083 -0.768 -0.005 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 5.430 -0.294 0.007 0.00 0.00 +0.043 A ATOM 5 C LIG 1 4.928 0.438 1.076 0.00 0.00 +0.043 A ATOM 6 C LIG 1 3.584 0.817 1.077 0.00 0.00 +0.084 A ATOM 7 CL LIG 1 3.003 1.722 2.434 0.00 0.00 -0.080 Cl ATOM 8 C LIG 1 2.731 0.472 0.012 0.00 0.00 +0.139 A ATOM 9 C LIG 1 3.255 -0.267 -1.053 0.00 0.00 +0.048 A ATOM 10 C LIG 1 4.602 -0.648 -1.055 0.00 0.00 +0.023 A ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -0.128 -0.801 -0.721 0.00 0.00 +0.060 C BRANCH 11 12 ATOM 12 C LIG 1 -0.716 -1.020 0.674 0.00 0.00 +0.107 C BRANCH 12 13 ATOM 13 N LIG 1 -1.746 -0.051 1.007 0.00 0.00 -0.317 N ATOM 14 H LIG 1 -1.386 0.866 1.242 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -2.949 -0.038 0.396 0.00 0.00 +0.176 C ATOM 16 N LIG 1 -3.716 1.036 0.721 0.00 0.00 -0.316 N ATOM 17 H LIG 1 -3.668 1.276 1.704 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -5.050 0.761 0.229 0.00 0.00 +0.127 C ATOM 19 C LIG 1 -4.784 -0.375 -0.763 0.00 0.00 +0.163 C ATOM 20 N LIG 1 -3.443 -0.922 -0.418 0.00 0.00 -0.255 NA ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 6