REMARK VINA RESULT: -0.5 1.244 1.841 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 4.356 -3.212 10.702 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 4.306 -3.986 12.003 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 4.681 -3.383 13.213 0.00 0.00 0.010 A ATOM 4 C UNL d 1 4.684 -4.114 14.407 0.00 0.00 0.037 A ATOM 5 C UNL d 1 4.319 -5.455 14.387 0.00 0.00 0.065 A ATOM 6 C UNL d 1 3.934 -6.069 13.204 0.00 0.00 0.037 A ATOM 7 C UNL d 1 3.924 -5.337 12.013 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 4.327 -6.213 15.520 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 3.592 -6.848 15.473 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 5.263 -3.841 9.667 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 4.910 -3.833 8.308 0.00 0.00 0.010 A ATOM 12 C UNL d 1 5.698 -4.494 7.361 0.00 0.00 0.037 A ATOM 13 C UNL d 1 6.850 -5.155 7.769 0.00 0.00 0.065 A ATOM 14 C UNL d 1 7.242 -5.140 9.103 0.00 0.00 0.037 A ATOM 15 C UNL d 1 6.447 -4.490 10.050 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 7.631 -5.836 6.881 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 7.793 -6.725 7.238 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4