REMARK VINA RESULT: -4.1 1.631 3.200 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 -4.208 -16.189 5.069 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -3.081 -15.838 4.309 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.350 -16.700 4.437 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -3.144 -15.942 2.911 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.392 -16.816 3.047 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -4.296 -16.423 2.283 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -1.820 -15.329 4.898 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.750 -14.259 5.484 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -0.799 -16.175 4.628 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.671 -17.307 5.504 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.462 -18.526 4.650 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -0.443 -18.411 3.254 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -0.482 -19.552 2.455 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -0.528 -20.814 3.046 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -0.483 -20.940 4.433 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -0.441 -19.800 5.234 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 -4.307 -15.949 6.529 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -4.896 -15.007 7.024 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -3.516 -16.850 7.150 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.140 -18.011 7.716 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.394 -19.236 7.198 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -4.325 -20.448 7.114 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -3.601 -21.712 6.688 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9