REMARK VINA RESULT: 12.7 1.374 2.382 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 21.418 -4.542 1.959 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 22.218 -4.420 0.679 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 23.482 -3.811 0.676 0.00 0.00 0.010 A ATOM 4 C UNL d 1 24.197 -3.653 -0.517 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.643 -4.099 -1.711 0.00 0.00 0.065 A ATOM 6 C UNL d 1 22.400 -4.715 -1.729 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.688 -4.880 -0.538 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.292 -3.948 -2.900 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 24.371 -2.998 -3.091 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.905 -5.943 2.213 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 21.756 -6.930 2.737 0.00 0.00 0.010 A ATOM 12 C UNL d 1 21.314 -8.248 2.885 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.015 -8.581 2.521 0.00 0.00 0.065 A ATOM 14 C UNL d 1 19.143 -7.612 2.040 0.00 0.00 0.037 A ATOM 15 C UNL d 1 19.588 -6.297 1.880 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 19.554 -9.861 2.623 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 19.771 -10.329 1.800 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4