REMARK VINA RESULT: -4.9 0.514 1.140 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 -3.625 14.806 -16.627 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -4.801 14.407 -15.973 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -3.476 14.581 -18.003 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -5.786 13.722 -16.700 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -4.472 13.915 -18.719 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -5.620 13.473 -18.066 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -5.057 14.640 -14.532 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -5.466 15.707 -14.098 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -4.712 13.550 -13.809 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -3.458 13.627 -13.113 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -2.637 12.433 -13.512 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -1.285 12.359 -13.153 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -0.463 11.380 -13.709 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -0.990 10.464 -14.616 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -2.347 10.490 -14.930 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -3.172 11.466 -14.374 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 -2.454 15.373 -15.916 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -2.536 16.104 -14.948 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -1.349 15.059 -16.625 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -0.280 14.393 -15.939 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 0.886 15.372 -15.839 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 1.969 14.839 -14.897 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 2.430 15.878 -13.892 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9