REMARK VINA RESULT: -5.0 0.000 0.000 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 10.041 3.162 -11.286 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.680 4.299 -12.058 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 11.122 5.456 -11.399 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.665 6.526 -12.119 0.00 0.00 0.037 A ATOM 5 C UNL d 1 11.757 6.441 -13.503 0.00 0.00 0.065 A ATOM 6 C UNL d 1 11.336 5.302 -14.174 0.00 0.00 0.037 A ATOM 7 C UNL d 1 10.801 4.230 -13.455 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 12.259 7.466 -14.249 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 11.756 7.520 -15.079 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 10.881 2.682 -10.124 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 12.114 2.047 -10.347 0.00 0.00 0.010 A ATOM 12 C UNL d 1 12.849 1.518 -9.282 0.00 0.00 0.037 A ATOM 13 C UNL d 1 12.358 1.633 -7.987 0.00 0.00 0.065 A ATOM 14 C UNL d 1 11.162 2.295 -7.738 0.00 0.00 0.037 A ATOM 15 C UNL d 1 10.422 2.812 -8.804 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 13.031 1.106 -6.923 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 12.902 1.694 -6.161 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4