REMARK Name = BDB063755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.207 0.577 0.025 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.770 1.746 0.011 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -1.376 2.158 1.213 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.260 3.239 1.229 0.00 0.00 +0.076 A ATOM 5 CL LIG 1 -2.998 3.703 2.713 0.00 0.00 -0.081 Cl ATOM 6 C LIG 1 -2.538 3.925 0.051 0.00 0.00 +0.142 A ATOM 7 F LIG 1 -3.387 4.963 0.044 0.00 0.00 -0.204 F ATOM 8 C LIG 1 -1.933 3.549 -1.144 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -1.048 2.468 -1.164 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 0.769 -0.206 -2.205 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 0.048 -0.337 -1.210 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 -1.011 -1.395 -1.220 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.007 -2.317 -2.280 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -1.969 -3.328 -2.350 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.944 -3.423 -1.361 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.130 -4.664 -1.442 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.964 -2.513 -0.306 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.000 -1.499 -0.233 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 1.574 1.149 0.049 0.00 0.00 -0.330 N ATOM 20 H LIG 1 1.869 1.289 -0.922 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 2.513 0.342 0.720 0.00 0.00 +0.028 A ATOM 22 C LIG 1 2.477 0.222 2.114 0.00 0.00 +0.024 A ATOM 23 C LIG 1 3.382 -0.607 2.781 0.00 0.00 +0.022 A ATOM 24 C LIG 1 4.325 -1.327 2.052 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 5.438 -2.353 2.870 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 4.371 -1.222 0.664 0.00 0.00 +0.022 A ATOM 27 C LIG 1 3.466 -0.389 0.001 0.00 0.00 +0.024 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5