REMARK VINA RESULT: 11.9 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 23.042 -3.504 1.040 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 23.974 -3.670 -0.143 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 25.365 -3.713 0.038 0.00 0.00 0.010 A ATOM 4 C UNL d 1 26.227 -3.814 -1.060 0.00 0.00 0.037 A ATOM 5 C UNL d 1 25.695 -3.864 -2.344 0.00 0.00 0.065 A ATOM 6 C UNL d 1 24.323 -3.834 -2.545 0.00 0.00 0.037 A ATOM 7 C UNL d 1 23.462 -3.741 -1.448 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 26.495 -3.941 -3.445 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 26.499 -4.860 -3.760 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 22.248 -4.753 1.354 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 20.929 -4.895 0.895 0.00 0.00 0.010 A ATOM 12 C UNL d 1 20.159 -6.003 1.261 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.712 -6.980 2.080 0.00 0.00 0.065 A ATOM 14 C UNL d 1 22.029 -6.882 2.512 0.00 0.00 0.037 A ATOM 15 C UNL d 1 22.794 -5.768 2.156 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 19.986 -8.063 2.484 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 19.315 -8.249 1.807 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4