REMARK VINA RESULT: -4.2 1.657 5.607 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 37.298 -35.133 -45.672 0.00 0.00 0.055 A ATOM 2 C UNL d 1 37.524 -36.514 -45.777 0.00 0.00 0.055 A ATOM 3 C UNL d 1 38.309 -34.227 -46.026 0.00 0.00 0.018 A ATOM 4 C UNL d 1 38.791 -36.969 -46.171 0.00 0.00 0.018 A ATOM 5 C UNL d 1 39.559 -34.693 -46.435 0.00 0.00 0.001 A ATOM 6 C UNL d 1 39.806 -36.063 -46.494 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 36.500 -37.539 -45.463 0.00 0.00 0.294 C ATOM 8 O UNL d 1 35.599 -37.831 -46.234 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 36.683 -38.019 -44.211 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 36.760 -39.449 -44.090 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 38.176 -39.859 -44.385 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 39.231 -39.331 -43.631 0.00 0.00 0.009 A ATOM 13 C UNL d 1 40.550 -39.521 -44.039 0.00 0.00 0.001 A ATOM 14 C UNL d 1 40.822 -40.249 -45.196 0.00 0.00 0.000 A ATOM 15 C UNL d 1 39.781 -40.833 -45.916 0.00 0.00 0.001 A ATOM 16 C UNL d 1 38.462 -40.646 -45.509 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 36.060 -34.555 -45.097 0.00 0.00 0.294 C ATOM 18 O UNL d 1 35.626 -34.839 -43.997 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 35.464 -33.818 -46.058 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 34.535 -34.478 -46.929 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 35.025 -34.284 -48.360 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 35.598 -35.586 -48.924 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 37.042 -35.443 -49.368 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9