REMARK Name = BDB000541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.015 -1.529 -0.815 0.00 0.00 -0.283 OA ATOM 2 C LIG 1 0.479 -0.529 -0.276 0.00 0.00 +0.233 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.970 -0.414 -0.194 0.00 0.00 +0.031 A ATOM 4 C LIG 1 2.661 0.656 0.386 0.00 0.00 +0.050 A ATOM 5 C LIG 1 4.057 0.659 0.407 0.00 0.00 +0.127 A ATOM 6 F LIG 1 4.698 1.693 0.967 0.00 0.00 -0.205 F ATOM 7 C LIG 1 4.795 -0.380 -0.137 0.00 0.00 +0.076 A ATOM 8 C LIG 1 4.115 -1.439 -0.711 0.00 0.00 +0.127 A ATOM 9 F LIG 1 4.806 -2.455 -1.243 0.00 0.00 -0.205 F ATOM 10 C LIG 1 2.723 -1.468 -0.745 0.00 0.00 +0.050 A ENDBRANCH 2 3 BRANCH 2 11 ATOM 11 C LIG 1 -0.479 0.529 0.276 0.00 0.00 +0.233 C ATOM 12 O LIG 1 -0.015 1.529 0.815 0.00 0.00 -0.283 OA BRANCH 11 13 ATOM 13 C LIG 1 -1.970 0.414 0.194 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -2.661 -0.656 -0.386 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -4.057 -0.659 -0.407 0.00 0.00 +0.127 A ATOM 16 F LIG 1 -4.698 -1.694 -0.967 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -4.795 0.380 0.137 0.00 0.00 +0.076 A ATOM 18 C LIG 1 -4.115 1.439 0.711 0.00 0.00 +0.127 A ATOM 19 F LIG 1 -4.806 2.455 1.243 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -2.723 1.468 0.745 0.00 0.00 +0.050 A ENDBRANCH 11 13 ENDBRANCH 2 11 TORSDOF 3