REMARK VINA RESULT: -7.2 1.431 6.010 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 -5.123 -2.201 4.603 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -6.094 -1.068 4.864 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -6.978 -1.114 5.952 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -7.910 -0.091 6.161 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -7.962 0.978 5.273 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -7.089 1.050 4.197 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -6.154 0.032 3.992 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -8.866 1.987 5.424 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -8.460 2.815 5.117 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -3.748 -1.956 5.186 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.975 -3.026 5.666 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -1.746 -2.795 6.291 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -1.280 -1.493 6.427 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -2.008 -0.423 5.922 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -3.242 -0.652 5.309 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -0.099 -1.223 7.055 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -0.214 -1.391 8.005 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4