REMARK VINA RESULT: -5.0 2.023 6.589 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 30.530 2.080 -43.428 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 30.296 3.557 -43.187 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 31.034 4.254 -42.219 0.00 0.00 0.010 A ATOM 4 C UNL d 1 30.781 5.606 -41.961 0.00 0.00 0.037 A ATOM 5 C UNL d 1 29.780 6.260 -42.670 0.00 0.00 0.065 A ATOM 6 C UNL d 1 29.045 5.594 -43.640 0.00 0.00 0.037 A ATOM 7 C UNL d 1 29.303 4.246 -43.903 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 29.482 7.570 -42.440 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 29.246 7.674 -41.503 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 31.957 1.650 -43.168 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 32.641 2.100 -42.027 0.00 0.00 0.010 A ATOM 12 C UNL d 1 33.989 1.783 -41.830 0.00 0.00 0.037 A ATOM 13 C UNL d 1 34.653 1.003 -42.769 0.00 0.00 0.065 A ATOM 14 C UNL d 1 33.985 0.512 -43.884 0.00 0.00 0.037 A ATOM 15 C UNL d 1 32.642 0.840 -44.087 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 35.975 0.695 -42.629 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 36.294 0.333 -43.472 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4