REMARK VINA RESULT: -5.1 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 -2.018 -1.697 8.483 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -0.732 -1.843 9.269 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -0.739 -1.809 10.672 0.00 0.00 0.010 A ATOM 4 C UNL d 1 0.456 -1.891 11.396 0.00 0.00 0.037 A ATOM 5 C UNL d 1 1.662 -2.001 10.713 0.00 0.00 0.065 A ATOM 6 C UNL d 1 1.691 -2.048 9.327 0.00 0.00 0.037 A ATOM 7 C UNL d 1 0.498 -1.972 8.604 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 2.853 -2.063 11.374 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 2.885 -1.341 12.023 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -2.726 -0.383 8.732 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.105 0.835 8.411 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -2.715 2.053 8.727 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -3.955 2.056 9.354 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -4.607 0.864 9.643 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -3.992 -0.353 9.339 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -4.571 3.222 9.704 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -3.894 3.839 10.028 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4