REMARK VINA RESULT: -5.5 1.399 4.114 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 32.722 6.749 30.193 0.00 0.00 0.055 A ATOM 2 C UNL d 1 33.625 7.748 29.800 0.00 0.00 0.055 A ATOM 3 C UNL d 1 32.971 5.408 29.865 0.00 0.00 0.018 A ATOM 4 C UNL d 1 34.735 7.395 29.019 0.00 0.00 0.018 A ATOM 5 C UNL d 1 34.090 5.068 29.103 0.00 0.00 0.001 A ATOM 6 C UNL d 1 34.964 6.061 28.667 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 33.460 9.182 30.139 0.00 0.00 0.294 C ATOM 8 O UNL d 1 32.655 9.906 29.573 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 34.356 9.549 31.085 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 34.150 8.996 32.394 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 35.455 8.408 32.855 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 36.548 8.355 31.981 0.00 0.00 0.009 A ATOM 13 C UNL d 1 37.679 7.612 32.315 0.00 0.00 0.001 A ATOM 14 C UNL d 1 37.728 6.928 33.528 0.00 0.00 0.000 A ATOM 15 C UNL d 1 36.672 7.027 34.431 0.00 0.00 0.001 A ATOM 16 C UNL d 1 35.541 7.772 34.100 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 31.432 7.039 30.864 0.00 0.00 0.294 C ATOM 18 O UNL d 1 30.642 7.881 30.481 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 31.395 6.331 32.013 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 32.170 6.811 33.120 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 32.573 5.603 33.961 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 33.756 4.866 33.328 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 33.651 3.359 33.477 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9