REMARK Name = BDB062120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.281 2.622 0.615 0.00 0.00 -0.286 OA ATOM 2 C LIG 1 -1.013 1.442 0.422 0.00 0.00 +0.198 C ATOM 3 C LIG 1 0.331 0.986 -0.033 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.560 -0.378 -0.250 0.00 0.00 +0.078 A ATOM 5 C LIG 1 1.826 -0.824 -0.683 0.00 0.00 +0.133 A ATOM 6 C LIG 1 2.875 0.076 -0.902 0.00 0.00 +0.013 A ATOM 7 C LIG 1 2.638 1.440 -0.681 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -0.523 -1.358 -0.025 0.00 0.00 +0.198 C ATOM 9 O LIG 1 -0.313 -2.552 -0.228 0.00 0.00 -0.286 OA ATOM 10 C LIG 1 -1.843 -0.906 0.438 0.00 0.00 +0.033 A ATOM 11 C LIG 1 -2.861 -1.844 0.659 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.116 -1.422 1.098 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.357 -0.067 1.316 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.342 0.866 1.095 0.00 0.00 +0.012 A ATOM 15 C LIG 1 1.385 1.888 -0.252 0.00 0.00 +0.129 A ATOM 16 C LIG 1 -2.079 0.446 0.654 0.00 0.00 +0.033 A ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 4.239 -0.383 -1.349 0.00 0.00 +0.147 C ATOM 18 CL LIG 1 5.408 -0.248 -0.015 0.00 0.00 -0.120 Cl ENDBRANCH 6 17 BRANCH 5 19 ATOM 19 O LIG 1 2.090 -2.151 -0.915 0.00 0.00 -0.506 OA ATOM 20 H LIG 1 1.282 -2.676 -0.710 0.00 0.00 +0.292 HD ENDBRANCH 5 19 BRANCH 15 21 ATOM 21 O LIG 1 1.217 3.228 -0.053 0.00 0.00 -0.506 OA ATOM 22 H LIG 1 2.053 3.705 -0.170 0.00 0.00 +0.292 HD ENDBRANCH 15 21 TORSDOF 3