REMARK VINA RESULT: -5.4 1.355 5.877 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 9.424 -14.808 6.843 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.459 -13.784 7.262 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.309 -12.430 6.926 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.291 -11.494 7.268 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.432 -11.916 7.941 0.00 0.00 0.065 A ATOM 6 C UNL d 1 12.597 -13.248 8.293 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.612 -14.182 7.958 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.426 -11.045 8.277 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 14.276 -11.422 7.995 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.354 -15.009 5.345 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 8.736 -16.148 4.805 0.00 0.00 0.010 A ATOM 12 C UNL d 1 8.752 -16.385 3.428 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.375 -15.474 2.583 0.00 0.00 0.065 A ATOM 14 C UNL d 1 9.956 -14.319 3.091 0.00 0.00 0.037 A ATOM 15 C UNL d 1 9.951 -14.089 4.469 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.437 -15.682 1.236 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 10.053 -16.414 1.069 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4