REMARK VINA RESULT: -8.4 1.348 2.212 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 1 112.619 87.985 51.689 0.00 0.00 0.055 A ATOM 2 C UNL d 1 111.885 88.054 50.495 0.00 0.00 0.055 A ATOM 3 C UNL d 1 112.167 88.663 52.831 0.00 0.00 0.018 A ATOM 4 C UNL d 1 110.739 88.862 50.445 0.00 0.00 0.018 A ATOM 5 C UNL d 1 111.015 89.449 52.773 0.00 0.00 0.001 A ATOM 6 C UNL d 1 110.309 89.561 51.577 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 112.268 87.338 49.255 0.00 0.00 0.294 C ATOM 8 O UNL d 1 113.025 87.816 48.423 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 111.613 86.156 49.172 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 112.348 85.070 48.587 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 112.112 83.848 49.431 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 110.811 83.501 49.815 0.00 0.00 0.009 A ATOM 13 C UNL d 1 110.602 82.516 50.779 0.00 0.00 0.001 A ATOM 14 C UNL d 1 111.691 81.866 51.356 0.00 0.00 0.000 A ATOM 15 C UNL d 1 112.987 82.160 50.934 0.00 0.00 0.001 A ATOM 16 C UNL d 1 113.197 83.143 49.968 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 1 113.933 87.308 51.795 0.00 0.00 0.294 C ATOM 18 O UNL d 1 115.002 87.881 51.713 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 113.708 85.976 51.835 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 114.338 85.223 52.881 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 113.336 85.089 54.023 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 111.937 84.772 53.489 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 111.123 83.927 54.451 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9