REMARK Name = BDB050069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.106 -0.176 -0.110 0.00 0.00 +0.010 C ATOM 2 C LIG 1 -0.387 0.981 0.356 0.00 0.00 +0.030 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.742 1.374 0.191 0.00 0.00 +0.086 A ATOM 4 N LIG 1 -2.822 0.513 0.301 0.00 0.00 -0.212 N ATOM 5 C LIG 1 -3.963 1.283 0.104 0.00 0.00 +0.155 A ATOM 6 C LIG 1 -5.212 0.628 0.160 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -5.252 -0.685 0.414 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -3.954 -1.378 0.623 0.00 0.00 +0.150 A ATOM 9 CL LIG 1 -3.963 -3.072 0.961 0.00 0.00 -0.060 Cl ATOM 10 N LIG 1 -3.675 2.549 -0.098 0.00 0.00 -0.234 NA ATOM 11 N LIG 1 -2.784 -0.828 0.574 0.00 0.00 -0.153 NA ATOM 12 C LIG 1 -2.309 2.616 -0.029 0.00 0.00 +0.141 A ENDBRANCH 2 3 BRANCH 1 15 ATOM 13 C LIG 1 3.906 -0.112 -0.050 0.00 0.00 +0.055 A ATOM 14 C LIG 1 2.571 0.307 -0.184 0.00 0.00 +0.020 A ATOM 15 C LIG 1 1.510 -0.580 0.045 0.00 0.00 -0.024 A ATOM 16 C LIG 1 1.798 -1.908 0.381 0.00 0.00 +0.008 A ATOM 17 C LIG 1 3.119 -2.339 0.509 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.168 -1.446 0.295 0.00 0.00 +0.012 A BRANCH 13 20 ATOM 19 F LIG 1 6.176 0.542 0.366 0.00 0.00 -0.166 F ATOM 20 C LIG 1 5.037 0.850 -0.316 0.00 0.00 +0.417 C ATOM 21 F LIG 1 4.737 2.134 0.027 0.00 0.00 -0.166 F ATOM 22 F LIG 1 5.387 0.886 -1.631 0.00 0.00 -0.166 F ENDBRANCH 13 20 ENDBRANCH 1 15 TORSDOF 3