REMARK VINA RESULT: -5.9 2.540 5.460 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 14.652 44.122 27.361 0.00 0.00 0.055 A ATOM 2 C UNL d 1 14.586 45.186 26.448 0.00 0.00 0.055 A ATOM 3 C UNL d 1 15.884 43.514 27.642 0.00 0.00 0.018 A ATOM 4 C UNL d 1 15.752 45.580 25.775 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.040 43.928 26.980 0.00 0.00 0.001 A ATOM 6 C UNL d 1 16.973 44.950 26.036 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 13.335 45.911 26.123 0.00 0.00 0.294 C ATOM 8 O UNL d 1 12.854 46.762 26.856 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 12.806 45.443 24.968 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 12.367 46.437 24.029 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 13.564 46.880 23.235 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 14.268 45.957 22.452 0.00 0.00 0.009 A ATOM 13 C UNL d 1 15.502 46.298 21.902 0.00 0.00 0.001 A ATOM 14 C UNL d 1 16.034 47.567 22.122 0.00 0.00 0.000 A ATOM 15 C UNL d 1 15.311 48.514 22.847 0.00 0.00 0.001 A ATOM 16 C UNL d 1 14.076 48.175 23.396 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 13.453 43.516 27.987 0.00 0.00 0.294 C ATOM 18 O UNL d 1 12.795 44.053 28.857 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 13.348 42.248 27.533 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 12.823 42.051 26.213 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 13.507 40.823 25.621 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 14.895 41.176 25.081 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 14.855 42.301 24.063 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9