REMARK Name = BDB062267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.520 0.304 -0.261 0.00 0.00 +0.176 A ATOM 2 C LIG 1 -1.431 -0.494 -0.565 0.00 0.00 +0.064 A ATOM 3 C LIG 1 -1.964 -1.821 -0.557 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -3.274 -1.817 -0.294 0.00 0.00 -0.077 NA ATOM 5 O LIG 1 -3.618 -0.495 -0.120 0.00 0.00 -0.354 OA ENDROOT BRANCH 1 11 ATOM 6 C LIG 1 -4.294 5.102 0.564 0.00 0.00 +0.063 C ATOM 7 C LIG 1 -3.455 3.909 0.292 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -2.100 4.008 0.091 0.00 0.00 -0.364 N ATOM 9 H LIG 1 -1.567 4.869 0.117 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 -1.572 2.761 -0.136 0.00 0.00 +0.094 A ATOM 11 C LIG 1 -2.600 1.849 -0.080 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.788 2.573 0.194 0.00 0.00 +0.034 A ENDBRANCH 1 11 BRANCH 3 13 ATOM 13 C LIG 1 -1.268 -3.084 -0.778 0.00 0.00 +0.034 A ATOM 14 C LIG 1 -0.960 -3.926 0.314 0.00 0.00 +0.065 A ATOM 15 C LIG 1 -0.305 -5.149 0.070 0.00 0.00 +0.013 A ATOM 16 C LIG 1 0.048 -5.531 -1.224 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -0.254 -4.698 -2.297 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -0.911 -3.483 -2.080 0.00 0.00 +0.051 A ATOM 19 CL LIG 1 -1.250 -2.513 -3.475 0.00 0.00 -0.083 Cl BRANCH 14 20 ATOM 20 C LIG 1 -1.331 -3.562 1.736 0.00 0.00 +0.418 C ATOM 21 F LIG 1 -2.657 -3.699 1.995 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -0.990 -2.290 2.077 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -0.701 -4.353 2.656 0.00 0.00 -0.166 F ENDBRANCH 14 20 ENDBRANCH 3 13 BRANCH 2 24 ATOM 24 C LIG 1 -0.024 -0.103 -0.836 0.00 0.00 +0.270 C BRANCH 24 25 ATOM 25 O LIG 1 0.657 0.188 0.384 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 1.966 0.571 0.301 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.711 0.713 -0.870 0.00 0.00 +0.046 A ATOM 28 C LIG 1 4.050 1.117 -0.805 0.00 0.00 +0.018 A ATOM 29 C LIG 1 4.652 1.382 0.431 0.00 0.00 +0.059 A ATOM 30 C LIG 1 3.905 1.240 1.604 0.00 0.00 +0.018 A ATOM 31 C LIG 1 2.569 0.837 1.534 0.00 0.00 +0.046 A BRANCH 29 32 ATOM 32 C LIG 1 6.072 1.807 0.445 0.00 0.00 +0.337 C ATOM 33 O LIG 1 6.781 1.951 -0.534 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 6.539 2.032 1.686 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 7.471 2.299 1.544 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8