REMARK Name = BDB043733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.638 -2.141 -1.167 0.00 0.00 +0.174 A ATOM 2 C LIG 1 -0.989 -0.854 -0.764 0.00 0.00 +0.088 A ATOM 3 N LIG 1 0.168 -0.326 -0.182 0.00 0.00 -0.289 N ATOM 4 C LIG 1 1.168 -1.288 -0.311 0.00 0.00 +0.147 A ATOM 5 N LIG 1 0.688 -2.383 -0.865 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 0.275 0.914 0.505 0.00 0.00 +0.085 A ATOM 7 C LIG 1 -0.176 2.094 -0.090 0.00 0.00 +0.165 A ATOM 8 F LIG 1 -0.603 2.093 -1.362 0.00 0.00 -0.202 F ATOM 9 C LIG 1 -0.098 3.300 0.606 0.00 0.00 +0.078 A ATOM 10 CL LIG 1 -0.642 4.765 -0.119 0.00 0.00 -0.081 Cl ATOM 11 C LIG 1 0.440 3.335 1.893 0.00 0.00 +0.023 A ATOM 12 C LIG 1 0.911 2.161 2.482 0.00 0.00 +0.004 A ATOM 13 C LIG 1 0.834 0.949 1.791 0.00 0.00 +0.029 A ENDBRANCH 3 6 BRANCH 2 14 ATOM 14 C LIG 1 -2.300 -0.201 -0.756 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -3.011 -0.058 0.441 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -4.253 0.577 0.441 0.00 0.00 +0.042 A ATOM 17 CL LIG 1 -5.115 0.760 1.919 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -4.799 1.067 -0.744 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.100 0.918 -1.941 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -2.856 0.284 -1.948 0.00 0.00 +0.010 A ENDBRANCH 2 14 BRANCH 4 21 ATOM 21 C LIG 1 2.579 -1.133 0.067 0.00 0.00 +0.018 A ATOM 22 C LIG 1 3.211 -2.155 0.789 0.00 0.00 +0.011 A ATOM 23 C LIG 1 4.551 -2.039 1.164 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.277 -0.904 0.808 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.668 0.109 0.069 0.00 0.00 +0.001 A ATOM 26 C LIG 1 3.327 -0.008 -0.307 0.00 0.00 +0.011 A ENDBRANCH 4 21 BRANCH 1 28 ATOM 27 O LIG 1 -1.089 -4.293 -2.114 0.00 0.00 -0.243 OA ATOM 28 C LIG 1 -1.469 -3.179 -1.779 0.00 0.00 +0.357 C BRANCH 28 29 ATOM 29 OXT LIG 1 -2.769 -2.856 -1.973 0.00 0.00 -0.476 OA ATOM 30 HXT LIG 1 -3.132 -3.672 -2.372 0.00 0.00 +0.295 HD ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 5