REMARK VINA RESULT: -4.9 2.668 4.956 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 42.843 66.962 55.796 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.740 66.885 54.719 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.316 68.203 56.183 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.151 68.068 54.088 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.719 69.371 55.533 0.00 0.00 0.001 A ATOM 6 C UNL d 1 43.646 69.306 54.496 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 44.313 65.612 54.220 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.688 64.841 53.507 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 45.557 65.427 54.720 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.712 64.327 55.631 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.730 63.388 55.047 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 48.068 63.785 54.934 0.00 0.00 0.009 A ATOM 13 C UNL d 1 48.967 63.022 54.191 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.536 61.853 53.567 0.00 0.00 0.000 A ATOM 15 C UNL d 1 47.222 61.417 53.727 0.00 0.00 0.001 A ATOM 16 C UNL d 1 46.322 62.177 54.472 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 42.487 65.797 56.640 0.00 0.00 0.294 C ATOM 18 O UNL d 1 41.557 65.049 56.408 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 43.264 65.835 57.744 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 43.003 64.877 58.780 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 43.972 63.714 58.588 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 45.242 63.917 59.416 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 46.224 62.770 59.270 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9