REMARK VINA RESULT: -6.9 2.075 3.132 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 -5.466 -1.145 2.428 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -4.948 -2.099 1.372 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -3.638 -1.988 0.883 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -3.178 -2.837 -0.130 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -4.034 -3.795 -0.660 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -5.330 -3.930 -0.183 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -5.788 -3.088 0.833 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -3.638 -4.630 -1.662 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -2.925 -4.198 -2.162 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -5.910 -1.841 3.697 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -7.275 -1.976 3.998 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -7.687 -2.533 5.212 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -6.734 -2.969 6.124 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.379 -2.884 5.830 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.967 -2.316 4.622 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -7.094 -3.493 7.332 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -6.432 -3.224 7.990 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4