REMARK VINA RESULT: -4.4 1.732 2.570 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 38.691 -37.098 -45.325 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 38.369 -38.544 -45.008 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 37.801 -39.384 -45.978 0.00 0.00 0.010 A ATOM 4 C UNL d 1 37.457 -40.704 -45.667 0.00 0.00 0.037 A ATOM 5 C UNL d 1 37.674 -41.183 -44.380 0.00 0.00 0.065 A ATOM 6 C UNL d 1 38.245 -40.373 -43.409 0.00 0.00 0.037 A ATOM 7 C UNL d 1 38.596 -39.057 -43.720 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 37.335 -42.454 -44.025 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 36.784 -42.836 -44.730 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 37.462 -36.223 -45.441 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 36.241 -36.629 -44.878 0.00 0.00 0.010 A ATOM 12 C UNL d 1 35.081 -35.870 -45.062 0.00 0.00 0.037 A ATOM 13 C UNL d 1 35.142 -34.695 -45.801 0.00 0.00 0.065 A ATOM 14 C UNL d 1 36.348 -34.252 -46.332 0.00 0.00 0.037 A ATOM 15 C UNL d 1 37.504 -35.017 -46.158 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 34.028 -33.941 -46.029 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 33.253 -34.447 -45.737 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4