REMARK Name = BDB063738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.052 0.280 1.200 0.00 0.00 +0.135 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.094 0.652 -1.181 0.00 0.00 -0.291 OA ATOM 3 C LIG 1 0.565 0.104 -0.184 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 1.767 -0.768 -0.360 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.021 -1.284 -1.640 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.122 -2.114 -1.866 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.979 -2.424 -0.814 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 5.337 -3.443 -1.085 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 3.743 -1.909 0.461 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.639 -1.080 0.689 0.00 0.00 +0.013 A ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 -1.000 1.476 1.308 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -2.049 1.435 1.954 0.00 0.00 -0.291 OA BRANCH 11 13 ATOM 13 C LIG 1 -0.634 2.785 0.707 0.00 0.00 +0.056 A ATOM 14 C LIG 1 0.689 3.226 0.634 0.00 0.00 +0.134 A ATOM 15 F LIG 1 1.693 2.485 1.124 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.999 4.464 0.071 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -0.025 5.276 -0.416 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -1.345 4.842 -0.328 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -2.326 5.628 -0.787 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -1.661 3.609 0.233 0.00 0.00 +0.052 A ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.718 -1.031 1.682 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -1.578 -1.752 0.667 0.00 0.00 -0.044 A ATOM 23 C LIG 1 -1.095 -2.894 0.012 0.00 0.00 +0.042 A ATOM 24 C LIG 1 -1.882 -3.544 -0.934 0.00 0.00 +0.124 A ATOM 25 F LIG 1 -1.402 -4.629 -1.556 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -3.156 -3.086 -1.243 0.00 0.00 +0.038 A ATOM 27 C LIG 1 -3.653 -1.960 -0.591 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -2.869 -1.299 0.360 0.00 0.00 +0.004 A ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6