REMARK VINA RESULT: -7.6 1.179 5.925 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 112.761 85.695 49.852 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 113.523 86.475 50.904 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 113.880 87.815 50.688 0.00 0.00 0.010 A ATOM 4 C UNL d 1 114.629 88.518 51.639 0.00 0.00 0.037 A ATOM 5 C UNL d 1 115.029 87.875 52.805 0.00 0.00 0.065 A ATOM 6 C UNL d 1 114.678 86.555 53.044 0.00 0.00 0.037 A ATOM 7 C UNL d 1 113.924 85.854 52.099 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 115.777 88.512 53.750 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 115.848 87.936 54.529 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 112.145 84.419 50.384 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 110.839 84.418 50.899 0.00 0.00 0.010 A ATOM 12 C UNL d 1 110.300 83.265 51.477 0.00 0.00 0.037 A ATOM 13 C UNL d 1 111.063 82.104 51.529 0.00 0.00 0.065 A ATOM 14 C UNL d 1 112.342 82.071 50.987 0.00 0.00 0.037 A ATOM 15 C UNL d 1 112.885 83.227 50.421 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 110.585 80.965 52.110 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 109.710 80.776 51.733 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4