REMARK VINA RESULT: -4.3 2.150 5.800 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 37.219 -35.241 -47.352 0.00 0.00 0.055 A ATOM 2 C UNL d 1 38.174 -36.192 -46.958 0.00 0.00 0.055 A ATOM 3 C UNL d 1 37.043 -34.071 -46.599 0.00 0.00 0.018 A ATOM 4 C UNL d 1 38.891 -35.986 -45.771 0.00 0.00 0.018 A ATOM 5 C UNL d 1 37.778 -33.869 -45.429 0.00 0.00 0.001 A ATOM 6 C UNL d 1 38.691 -34.832 -45.007 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 38.453 -37.435 -47.716 0.00 0.00 0.294 C ATOM 8 O UNL d 1 39.234 -37.475 -48.654 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 37.681 -38.449 -47.258 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 38.375 -39.654 -46.898 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 38.461 -39.703 -45.398 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 37.294 -39.660 -44.625 0.00 0.00 0.009 A ATOM 13 C UNL d 1 37.370 -39.472 -43.247 0.00 0.00 0.001 A ATOM 14 C UNL d 1 38.613 -39.338 -42.631 0.00 0.00 0.000 A ATOM 15 C UNL d 1 39.782 -39.444 -43.383 0.00 0.00 0.001 A ATOM 16 C UNL d 1 39.708 -39.634 -44.762 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 36.288 -35.449 -48.486 0.00 0.00 0.294 C ATOM 18 O UNL d 1 36.293 -34.779 -49.501 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 35.379 -36.374 -48.109 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 34.531 -36.064 -46.995 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 34.606 -37.232 -46.017 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 35.262 -36.805 -44.702 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 34.668 -35.525 -44.143 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9