REMARK Name = BDB001206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.403 -1.003 -0.129 0.00 0.00 -0.475 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.844 -0.597 0.244 0.00 0.00 +0.122 A ATOM 3 C LIG 1 1.357 0.698 0.200 0.00 0.00 +0.047 A ATOM 4 C LIG 1 2.670 0.952 0.618 0.00 0.00 +0.023 A ATOM 5 C LIG 1 3.471 -0.091 1.076 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 5.082 0.228 1.589 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 2.974 -1.389 1.116 0.00 0.00 +0.023 A ATOM 8 C LIG 1 1.665 -1.637 0.698 0.00 0.00 +0.047 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 9 C LIG 1 -2.646 -1.003 -0.795 0.00 0.00 +0.067 C ATOM 10 C LIG 1 -1.465 -0.087 -0.418 0.00 0.00 +0.200 C ATOM 11 C LIG 1 -1.866 0.699 0.841 0.00 0.00 +0.067 C BRANCH 10 12 ATOM 12 C LIG 1 -1.246 0.817 -1.647 0.00 0.00 +0.348 C ATOM 13 O LIG 1 -0.409 0.681 -2.525 0.00 0.00 -0.247 OA BRANCH 12 14 ATOM 14 O LIG 1 -2.128 1.837 -1.733 0.00 0.00 -0.478 OA ATOM 15 H LIG 1 -1.883 2.287 -2.570 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 10 12 ENDBRANCH 1 10 TORSDOF 4