REMARK VINA RESULT: -5.9 0.677 6.100 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 -3.773 13.096 -13.755 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -2.537 12.223 -13.818 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -2.548 11.010 -14.524 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -1.422 10.180 -14.538 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -0.283 10.562 -13.837 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -0.246 11.762 -13.143 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -1.368 12.595 -13.134 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 0.831 9.776 -13.805 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 0.702 9.031 -14.415 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.157 13.687 -15.094 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.683 14.951 -15.479 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -4.110 15.542 -16.672 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -5.004 14.863 -17.491 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.454 13.593 -17.151 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.037 13.009 -15.952 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -5.467 15.415 -18.650 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -6.377 15.720 -18.499 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4