REMARK VINA RESULT: -7.6 2.116 4.269 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 1 113.176 87.587 54.081 0.00 0.00 0.055 A ATOM 2 C UNL d 1 113.033 88.431 52.970 0.00 0.00 0.055 A ATOM 3 C UNL d 1 114.453 87.298 54.584 0.00 0.00 0.018 A ATOM 4 C UNL d 1 114.184 88.922 52.334 0.00 0.00 0.018 A ATOM 5 C UNL d 1 115.589 87.808 53.953 0.00 0.00 0.001 A ATOM 6 C UNL d 1 115.456 88.607 52.820 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 111.722 88.820 52.398 0.00 0.00 0.294 C ATOM 8 O UNL d 1 111.122 89.826 52.744 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 111.292 87.880 51.524 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 111.946 87.864 50.245 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 112.299 86.438 49.928 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 111.779 85.824 48.781 0.00 0.00 0.009 A ATOM 13 C UNL d 1 111.909 84.449 48.600 0.00 0.00 0.001 A ATOM 14 C UNL d 1 112.569 83.681 49.557 0.00 0.00 0.000 A ATOM 15 C UNL d 1 113.146 84.292 50.669 0.00 0.00 0.001 A ATOM 16 C UNL d 1 113.019 85.668 50.851 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 1 112.038 86.876 54.711 0.00 0.00 0.294 C ATOM 18 O UNL d 1 111.494 87.240 55.736 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 111.850 85.721 54.039 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 112.005 84.492 54.762 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 110.786 83.624 54.468 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 110.907 82.958 53.095 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 109.841 83.428 52.123 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9