REMARK VINA RESULT: -5.6 1.599 6.226 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 29.605 3.883 -43.084 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 29.458 5.390 -43.025 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 30.532 6.203 -42.633 0.00 0.00 0.010 A ATOM 4 C UNL d 1 30.378 7.590 -42.529 0.00 0.00 0.037 A ATOM 5 C UNL d 1 29.143 8.164 -42.810 0.00 0.00 0.065 A ATOM 6 C UNL d 1 28.071 7.380 -43.210 0.00 0.00 0.037 A ATOM 7 C UNL d 1 28.226 5.996 -43.321 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 28.940 9.508 -42.703 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 29.196 9.789 -41.808 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 30.959 3.397 -42.615 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 31.515 2.218 -43.139 0.00 0.00 0.010 A ATOM 12 C UNL d 1 32.721 1.715 -42.642 0.00 0.00 0.037 A ATOM 13 C UNL d 1 33.382 2.396 -41.627 0.00 0.00 0.065 A ATOM 14 C UNL d 1 32.872 3.586 -41.123 0.00 0.00 0.037 A ATOM 15 C UNL d 1 31.660 4.083 -41.611 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 34.546 1.923 -41.095 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 34.410 1.783 -40.144 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4