REMARK Name = 338719 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_11 REMARK 2 A between atoms: C_7 and C_14 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL UNL 1 2.000 -0.825 0.000 0.00 0.00 +0.000 Cl ATOM 2 O UNL 1 3.732 2.175 0.000 0.00 0.00 +0.000 OA ATOM 3 O UNL 1 3.732 -1.825 0.000 0.00 0.00 +0.000 OA ATOM 4 C UNL 1 4.598 0.675 0.000 0.00 0.00 +0.000 A ATOM 5 C UNL 1 4.598 -0.325 0.000 0.00 0.00 +0.000 A ATOM 6 C UNL 1 2.866 0.675 0.000 0.00 0.00 +0.000 C ATOM 7 C UNL 1 3.732 1.175 0.000 0.00 0.00 +0.000 C ATOM 8 C UNL 1 3.732 -0.825 0.000 0.00 0.00 +0.000 C ATOM 9 C UNL 1 2.866 -0.325 0.000 0.00 0.00 +0.000 C ATOM 10 C UNL 1 5.492 -0.859 0.000 0.00 0.00 +0.000 A ATOM 11 C UNL 1 5.492 1.210 0.000 0.00 0.00 +0.000 A ATOM 12 C UNL 1 6.398 -0.345 0.000 0.00 0.00 +0.000 A ATOM 13 C UNL 1 2.000 1.175 0.000 0.00 0.00 +0.000 C ATOM 14 C UNL 1 6.398 0.696 0.000 0.00 0.00 +0.000 A ENDROOT BRANCH 10 15 ATOM 15 O UNL 1 5.480 -1.859 0.000 0.00 0.00 +0.000 OA ATOM 16 H UNL 1 6.014 -2.175 0.000 0.00 0.00 +0.000 HD ENDBRANCH 10 15 TORSDOF 1