REMARK VINA RESULT: -3.9 0.217 1.775 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 19.907 4.661 -12.452 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 21.021 5.546 -11.931 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 21.191 6.850 -12.419 0.00 0.00 0.010 A ATOM 4 C UNL d 1 22.251 7.648 -11.975 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.149 7.136 -11.045 0.00 0.00 0.065 A ATOM 6 C UNL d 1 22.993 5.853 -10.541 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.930 5.058 -10.979 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.209 7.867 -10.599 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 24.452 8.511 -11.286 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.156 4.150 -13.855 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 21.073 3.113 -14.085 0.00 0.00 0.010 A ATOM 12 C UNL d 1 21.376 2.703 -15.387 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.751 3.321 -16.463 0.00 0.00 0.065 A ATOM 14 C UNL d 1 19.808 4.320 -16.257 0.00 0.00 0.037 A ATOM 15 C UNL d 1 19.515 4.739 -14.956 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 21.039 2.970 -17.749 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 21.201 3.781 -18.257 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4