REMARK VINA RESULT: -4.9 2.005 2.497 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 -1.045 -0.827 7.969 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 0.039 -0.539 8.986 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 0.854 -1.569 9.481 0.00 0.00 0.010 A ATOM 4 C UNL d 1 1.820 -1.310 10.459 0.00 0.00 0.037 A ATOM 5 C UNL d 1 1.966 -0.017 10.950 0.00 0.00 0.065 A ATOM 6 C UNL d 1 1.179 1.018 10.468 0.00 0.00 0.037 A ATOM 7 C UNL d 1 0.219 0.762 9.486 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 2.879 0.279 11.918 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 3.770 0.143 11.555 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -2.431 -0.889 8.573 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.288 0.222 8.511 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -4.532 0.201 9.150 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.928 -0.937 9.842 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -4.114 -2.063 9.880 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -2.866 -2.038 9.253 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.121 -0.988 10.502 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -6.767 -0.462 10.003 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4