REMARK VINA RESULT: -4.9 0.417 5.813 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 10.074 3.294 -11.302 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.819 2.679 -10.136 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.320 2.782 -8.829 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.036 2.258 -7.746 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.259 1.637 -7.972 0.00 0.00 0.065 A ATOM 6 C UNL d 1 12.766 1.515 -9.258 0.00 0.00 0.037 A ATOM 7 C UNL d 1 12.048 2.031 -10.340 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.002 1.131 -6.947 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 13.841 1.621 -6.902 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 10.836 4.415 -11.975 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 11.128 4.358 -13.347 0.00 0.00 0.010 A ATOM 12 C UNL d 1 11.912 5.344 -13.952 0.00 0.00 0.037 A ATOM 13 C UNL d 1 12.397 6.399 -13.189 0.00 0.00 0.065 A ATOM 14 C UNL d 1 12.085 6.499 -11.838 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.311 5.507 -11.231 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 13.188 7.367 -13.735 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 13.949 7.506 -13.147 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4