REMARK VINA RESULT: -4.4 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 20.072 4.708 -12.436 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 21.195 5.576 -11.908 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 22.093 5.087 -10.948 0.00 0.00 0.010 A ATOM 4 C UNL d 1 23.098 5.908 -10.423 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.199 7.225 -10.856 0.00 0.00 0.065 A ATOM 6 C UNL d 1 22.329 7.727 -11.813 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.330 6.905 -12.342 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.148 8.068 -10.358 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 25.022 7.665 -10.494 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.315 4.205 -13.843 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.722 4.846 -14.942 0.00 0.00 0.010 A ATOM 12 C UNL d 1 19.866 4.331 -16.233 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.617 3.178 -16.431 0.00 0.00 0.065 A ATOM 14 C UNL d 1 21.248 2.551 -15.363 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.093 3.059 -14.071 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 20.760 2.626 -17.671 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 21.705 2.470 -17.827 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4