REMARK Name = BDB000538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.098 0.846 1.512 0.00 0.00 -0.283 OA ATOM 2 C LIG 1 0.507 0.281 0.501 0.00 0.00 +0.233 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.992 0.179 0.316 0.00 0.00 +0.026 A ATOM 4 C LIG 1 2.625 -0.429 -0.775 0.00 0.00 +0.013 A ATOM 5 C LIG 1 4.024 -0.474 -0.858 0.00 0.00 +0.021 A ATOM 6 C LIG 1 4.805 0.088 0.147 0.00 0.00 +0.041 A ATOM 7 CL LIG 1 6.519 0.029 0.038 0.00 0.00 -0.084 Cl ATOM 8 C LIG 1 4.199 0.698 1.240 0.00 0.00 +0.021 A ATOM 9 C LIG 1 2.803 0.742 1.322 0.00 0.00 +0.013 A ENDBRANCH 2 3 BRANCH 2 10 ATOM 10 C LIG 1 -0.507 -0.281 -0.502 0.00 0.00 +0.233 C ATOM 11 O LIG 1 -0.098 -0.845 -1.512 0.00 0.00 -0.283 OA BRANCH 10 12 ATOM 12 C LIG 1 -1.992 -0.179 -0.316 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -2.625 0.429 0.775 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.024 0.474 0.858 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -4.805 -0.088 -0.147 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.519 -0.030 -0.038 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.199 -0.698 -1.240 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -2.803 -0.742 -1.322 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 2 10 TORSDOF 3