REMARK VINA RESULT: -4.7 0.084 5.776 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 16.014 44.194 26.530 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 15.116 42.976 26.592 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 14.299 42.741 27.709 0.00 0.00 0.010 A ATOM 4 C UNL d 1 13.509 41.588 27.787 0.00 0.00 0.037 A ATOM 5 C UNL d 1 13.543 40.664 26.749 0.00 0.00 0.065 A ATOM 6 C UNL d 1 14.335 40.882 25.631 0.00 0.00 0.037 A ATOM 7 C UNL d 1 15.118 42.036 25.548 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 12.808 39.517 26.790 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 12.050 39.657 27.383 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 15.581 45.203 25.489 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 14.500 46.064 25.734 0.00 0.00 0.010 A ATOM 12 C UNL d 1 14.037 46.932 24.741 0.00 0.00 0.037 A ATOM 13 C UNL d 1 14.664 46.951 23.501 0.00 0.00 0.065 A ATOM 14 C UNL d 1 15.763 46.138 23.250 0.00 0.00 0.037 A ATOM 15 C UNL d 1 16.217 45.262 24.239 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 14.227 47.762 22.495 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 14.230 47.252 21.669 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4