REMARK VINA RESULT: -7.5 1.864 5.854 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 4.019 4.158 3.111 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 3.013 4.916 3.953 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 1.766 5.284 3.425 0.00 0.00 0.010 A ATOM 4 C UNL d 1 0.859 6.029 4.187 0.00 0.00 0.037 A ATOM 5 C UNL d 1 1.204 6.414 5.478 0.00 0.00 0.065 A ATOM 6 C UNL d 1 2.427 6.051 6.023 0.00 0.00 0.037 A ATOM 7 C UNL d 1 3.330 5.301 5.266 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 0.362 7.158 6.249 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 0.335 6.770 7.140 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 5.166 3.589 3.918 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 4.999 2.409 4.661 0.00 0.00 0.010 A ATOM 12 C UNL d 1 6.025 1.931 5.482 0.00 0.00 0.037 A ATOM 13 C UNL d 1 7.226 2.626 5.553 0.00 0.00 0.065 A ATOM 14 C UNL d 1 7.428 3.773 4.794 0.00 0.00 0.037 A ATOM 15 C UNL d 1 6.399 4.257 3.983 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 8.242 2.209 6.363 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 8.582 1.368 6.017 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4