REMARK VINA RESULT: -5.7 1.945 5.970 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 14.764 45.195 25.996 0.00 0.00 0.055 A ATOM 2 C UNL d 1 14.619 44.401 27.144 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.005 45.272 25.347 0.00 0.00 0.018 A ATOM 4 C UNL d 1 15.744 43.748 27.668 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.113 44.601 25.868 0.00 0.00 0.001 A ATOM 6 C UNL d 1 16.987 43.851 27.035 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 13.336 44.233 27.868 0.00 0.00 0.294 C ATOM 8 O UNL d 1 13.002 44.952 28.798 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 12.666 43.157 27.393 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 12.523 42.053 28.300 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 12.520 40.788 27.487 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 13.248 40.720 26.293 0.00 0.00 0.009 A ATOM 13 C UNL d 1 13.070 39.647 25.422 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.172 38.631 25.745 0.00 0.00 0.000 A ATOM 15 C UNL d 1 11.491 38.659 26.960 0.00 0.00 0.001 A ATOM 16 C UNL d 1 11.670 39.730 27.834 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 13.684 46.064 25.470 0.00 0.00 0.294 C ATOM 18 O UNL d 1 13.162 46.959 26.106 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 13.312 45.576 24.267 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 12.103 44.808 24.201 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 12.491 43.359 23.923 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 13.658 43.285 22.935 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 14.789 42.404 23.434 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9