REMARK Name = BDB017179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.953 1.080 0.243 0.00 0.00 +0.167 C ATOM 2 O LIG 1 0.742 2.193 0.725 0.00 0.00 -0.292 OA ENDROOT BRANCH 1 5 ATOM 3 N LIG 1 -2.559 -0.349 0.362 0.00 0.00 -0.302 NA ATOM 4 C LIG 1 -1.529 0.679 0.162 0.00 0.00 +0.095 C ATOM 5 C LIG 1 -0.138 0.014 0.174 0.00 0.00 +0.074 C ATOM 6 C LIG 1 0.013 -0.999 1.323 0.00 0.00 +0.014 C ATOM 7 C LIG 1 -1.095 -0.842 2.358 0.00 0.00 +0.016 C ATOM 8 C LIG 1 -2.489 -0.917 1.720 0.00 0.00 +0.084 C BRANCH 3 9 ATOM 9 C LIG 1 -3.898 0.167 0.043 0.00 0.00 +0.084 C BRANCH 9 11 ATOM 10 C LIG 1 -4.738 -2.006 -0.999 0.00 0.00 +0.005 C ATOM 11 C LIG 1 -4.995 -0.908 0.024 0.00 0.00 +0.012 C ENDBRANCH 9 11 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 12 ATOM 12 C LIG 1 2.326 0.773 -0.275 0.00 0.00 +0.018 A ATOM 13 C LIG 1 2.698 -0.491 -0.748 0.00 0.00 +0.012 A ATOM 14 C LIG 1 3.997 -0.716 -1.219 0.00 0.00 +0.013 A ATOM 15 C LIG 1 4.950 0.314 -1.218 0.00 0.00 +0.055 A ATOM 16 C LIG 1 4.573 1.580 -0.750 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.276 1.805 -0.280 0.00 0.00 +0.012 A BRANCH 15 18 ATOM 18 C LIG 1 6.344 0.072 -1.748 0.00 0.00 +0.417 C ATOM 19 F LIG 1 7.282 0.878 -1.178 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.430 0.285 -3.089 0.00 0.00 -0.166 F ATOM 21 F LIG 1 6.776 -1.204 -1.543 0.00 0.00 -0.166 F ENDBRANCH 15 18 ENDBRANCH 1 12 TORSDOF 5