REMARK Name = BDB034094 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 -0.328 -0.472 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.801 0.900 0.057 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.557 1.183 0.204 0.00 0.00 +0.131 A ATOM 4 F LIG 1 0.910 2.365 0.730 0.00 0.00 -0.205 F ATOM 5 C LIG 1 1.542 0.271 -0.174 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.117 -0.944 -0.714 0.00 0.00 +0.131 A ATOM 7 F LIG 1 2.024 -1.858 -1.090 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -0.235 -1.246 -0.869 0.00 0.00 +0.046 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.009 0.604 -0.012 0.00 0.00 +0.111 C ATOM 10 C LIG 1 3.770 0.539 -1.335 0.00 0.00 +0.227 C ATOM 11 O LIG 1 3.277 0.854 -2.416 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.096 0.181 -1.260 0.00 0.00 -0.256 N ATOM 13 H LIG 1 5.596 0.167 -2.139 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 5.855 -0.020 -0.136 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.067 -0.199 -0.211 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 5.135 0.075 1.187 0.00 0.00 +0.097 C ATOM 17 C LIG 1 3.668 -0.297 1.039 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 19 ATOM 18 C LIG 1 -3.635 -0.244 0.096 0.00 0.00 +0.187 C ATOM 19 C LIG 1 -2.628 -0.668 -0.676 0.00 0.00 +0.045 C BRANCH 18 20 ATOM 20 O LIG 1 -4.927 -0.626 -0.151 0.00 0.00 -0.500 OA BRANCH 20 22 ATOM 21 C LIG 1 -7.271 -0.253 0.112 0.00 0.00 +0.048 C ATOM 22 C LIG 1 -5.882 0.206 0.511 0.00 0.00 +0.225 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 1 19 TORSDOF 4