REMARK VINA RESULT: -7.6 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 -0.717 -1.215 4.083 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -1.774 -1.561 4.937 0.00 0.00 0.055 A ATOM 3 C UNL d 1 0.139 -0.155 4.418 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -2.001 -0.792 6.088 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -0.086 0.591 5.576 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -1.164 0.283 6.403 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -2.700 -2.690 4.680 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.431 -3.845 4.973 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -3.807 -2.254 4.035 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -5.062 -2.728 4.547 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.841 -1.535 5.030 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -6.787 -1.681 6.052 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -7.670 -0.644 6.345 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -7.605 0.548 5.627 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -6.626 0.726 4.652 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -5.740 -0.310 4.359 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 -0.503 -1.848 2.759 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -0.795 -3.000 2.502 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 0.194 -0.980 1.995 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -0.393 -0.560 0.755 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -0.785 0.907 0.903 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -2.306 1.063 0.964 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -2.843 0.999 2.383 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9