REMARK VINA RESULT: -8.6 0.000 0.000 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 5.779 2.806 4.620 0.00 0.00 0.055 A ATOM 2 C UNL d 1 4.819 3.075 3.632 0.00 0.00 0.055 A ATOM 3 C UNL d 1 5.703 1.623 5.370 0.00 0.00 0.018 A ATOM 4 C UNL d 1 3.753 2.181 3.458 0.00 0.00 0.018 A ATOM 5 C UNL d 1 4.647 0.732 5.173 0.00 0.00 0.001 A ATOM 6 C UNL d 1 3.664 1.017 4.228 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 4.846 4.279 2.769 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.469 4.325 1.719 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.156 5.290 3.348 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 2.766 5.384 2.997 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 1.995 5.675 4.255 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 0.621 5.943 4.189 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -0.051 6.437 5.305 0.00 0.00 0.001 A ATOM 14 C UNL d 1 0.641 6.655 6.494 0.00 0.00 0.000 A ATOM 15 C UNL d 1 1.993 6.332 6.587 0.00 0.00 0.001 A ATOM 16 C UNL d 1 2.668 5.835 5.473 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 6.839 3.770 5.004 0.00 0.00 0.294 C ATOM 18 O UNL d 1 6.623 4.916 5.347 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 8.033 3.192 4.751 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.636 3.435 3.472 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 8.860 2.083 2.802 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 8.194 2.038 1.425 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 8.976 2.802 0.373 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9