REMARK VINA RESULT: -4.8 0.000 0.000 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 36.704 -38.826 -43.833 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 37.808 -39.585 -44.541 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 39.144 -39.458 -44.133 0.00 0.00 0.010 A ATOM 4 C UNL d 1 40.168 -40.119 -44.820 0.00 0.00 0.037 A ATOM 5 C UNL d 1 39.854 -40.903 -45.925 0.00 0.00 0.065 A ATOM 6 C UNL d 1 38.539 -41.051 -46.339 0.00 0.00 0.037 A ATOM 7 C UNL d 1 37.515 -40.398 -45.648 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 40.820 -41.548 -46.639 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 40.734 -41.296 -47.574 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 36.388 -37.493 -44.475 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 37.372 -36.795 -45.193 0.00 0.00 0.010 A ATOM 12 C UNL d 1 37.112 -35.521 -45.708 0.00 0.00 0.037 A ATOM 13 C UNL d 1 35.861 -34.947 -45.517 0.00 0.00 0.065 A ATOM 14 C UNL d 1 34.859 -35.637 -44.847 0.00 0.00 0.037 A ATOM 15 C UNL d 1 35.123 -36.905 -44.321 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 35.577 -33.695 -45.979 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 36.254 -33.449 -46.630 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4