REMARK Name = BDB063762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.172 -0.073 0.693 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.098 1.415 0.483 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -0.686 2.156 1.529 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.938 3.526 1.398 0.00 0.00 +0.060 A ATOM 5 CL LIG 1 -1.661 4.343 2.737 0.00 0.00 -0.082 Cl ATOM 6 C LIG 1 -0.601 4.183 0.213 0.00 0.00 +0.059 A ATOM 7 CL LIG 1 -0.876 5.871 -0.026 0.00 0.00 -0.082 Cl ATOM 8 C LIG 1 -0.015 3.465 -0.833 0.00 0.00 +0.022 A ATOM 9 C LIG 1 0.236 2.095 -0.699 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 0.305 -1.233 -1.464 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 0.882 -0.798 -0.466 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 2.365 -0.977 -0.400 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.930 -2.054 -1.101 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.311 -2.267 -1.080 0.00 0.00 +0.020 A ATOM 15 C LIG 1 5.133 -1.399 -0.366 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 6.833 -1.656 -0.340 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 4.585 -0.317 0.322 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.203 -0.102 0.304 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 -1.021 -0.797 1.171 0.00 0.00 -0.328 N ATOM 20 H LIG 1 -0.780 -1.601 1.753 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.174 -1.082 0.435 0.00 0.00 +0.065 A ATOM 22 C LIG 1 -3.058 -2.062 0.935 0.00 0.00 +0.162 A ATOM 23 F LIG 1 -2.699 -2.734 2.045 0.00 0.00 -0.202 F ATOM 24 C LIG 1 -4.269 -2.358 0.308 0.00 0.00 +0.078 A ATOM 25 CL LIG 1 -5.311 -3.575 0.938 0.00 0.00 -0.081 Cl ATOM 26 C LIG 1 -4.642 -1.663 -0.837 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.800 -0.674 -1.340 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -2.586 -0.383 -0.702 0.00 0.00 +0.026 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5