REMARK VINA RESULT: -5.4 0.998 1.698 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 -6.059 -1.374 3.334 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -6.295 -1.493 1.843 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -7.212 -0.655 1.190 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -7.467 -0.801 -0.178 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.807 -1.794 -0.894 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -5.888 -2.626 -0.272 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -5.628 -2.476 1.093 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -7.038 -1.987 -2.223 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -7.400 -2.881 -2.348 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.677 -1.821 3.759 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.541 -1.094 3.370 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -2.257 -1.554 3.680 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -2.107 -2.739 4.391 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -3.218 -3.453 4.822 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.500 -2.999 4.501 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -0.872 -3.237 4.688 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -0.678 -3.033 5.618 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4