REMARK VINA RESULT: -5.1 1.742 5.048 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 -3.817 14.114 -15.039 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -2.873 15.142 -15.187 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -4.581 14.026 -13.867 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -2.660 16.030 -14.122 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -4.373 14.928 -12.822 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -3.403 15.920 -12.943 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -2.052 15.332 -16.407 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.482 15.874 -17.414 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -0.832 14.770 -16.246 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 0.220 15.303 -17.066 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 1.511 15.157 -16.310 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 1.533 15.326 -14.919 0.00 0.00 0.009 A ATOM 13 C UNL d 1 2.747 15.422 -14.243 0.00 0.00 0.001 A ATOM 14 C UNL d 1 3.945 15.340 -14.950 0.00 0.00 0.000 A ATOM 15 C UNL d 1 3.933 15.108 -16.324 0.00 0.00 0.001 A ATOM 16 C UNL d 1 2.720 15.009 -17.002 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 -3.989 13.023 -16.028 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -4.539 13.161 -17.104 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -3.578 11.874 -15.450 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -2.203 11.498 -15.610 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -1.834 10.584 -14.446 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -0.720 11.202 -13.597 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -1.064 12.597 -13.110 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9