REMARK VINA RESULT: -4.6 0.800 5.805 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 36.628 -38.670 -43.953 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 36.178 -37.496 -44.798 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 35.240 -36.574 -44.308 0.00 0.00 0.010 A ATOM 4 C UNL d 1 34.787 -35.520 -45.108 0.00 0.00 0.037 A ATOM 5 C UNL d 1 35.268 -35.392 -46.406 0.00 0.00 0.065 A ATOM 6 C UNL d 1 36.204 -36.285 -46.908 0.00 0.00 0.037 A ATOM 7 C UNL d 1 36.662 -37.334 -46.106 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 34.840 -34.394 -47.230 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 34.757 -34.750 -48.131 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 37.757 -39.459 -44.580 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 39.090 -39.048 -44.419 0.00 0.00 0.010 A ATOM 12 C UNL d 1 40.128 -39.719 -45.073 0.00 0.00 0.037 A ATOM 13 C UNL d 1 39.837 -40.812 -45.880 0.00 0.00 0.065 A ATOM 14 C UNL d 1 38.529 -41.261 -46.020 0.00 0.00 0.037 A ATOM 15 C UNL d 1 37.491 -40.584 -45.377 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 40.817 -41.476 -46.558 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 40.972 -42.326 -46.114 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4