REMARK VINA RESULT: -4.5 2.064 2.534 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 20.428 -31.968 -2.410 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 20.445 -31.669 -0.925 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 20.454 -32.708 0.018 0.00 0.00 0.010 A ATOM 4 C UNL d 1 20.418 -32.430 1.389 0.00 0.00 0.037 A ATOM 5 C UNL d 1 20.365 -31.109 1.817 0.00 0.00 0.065 A ATOM 6 C UNL d 1 20.367 -30.065 0.903 0.00 0.00 0.037 A ATOM 7 C UNL d 1 20.410 -30.342 -0.466 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 20.307 -30.790 3.141 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 21.104 -30.284 3.373 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 19.233 -31.374 -3.125 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.412 -30.504 -4.213 0.00 0.00 0.010 A ATOM 12 C UNL d 1 18.317 -29.879 -4.816 0.00 0.00 0.037 A ATOM 13 C UNL d 1 17.036 -30.134 -4.341 0.00 0.00 0.065 A ATOM 14 C UNL d 1 16.832 -31.024 -3.293 0.00 0.00 0.037 A ATOM 15 C UNL d 1 17.928 -31.638 -2.682 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 15.942 -29.523 -4.883 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 15.577 -30.106 -5.568 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4