REMARK VINA RESULT: -5.4 0.077 5.818 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 -4.542 -0.841 3.398 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -3.668 -1.952 3.943 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -2.269 -1.852 3.902 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -1.463 -2.901 4.358 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -2.059 -4.058 4.849 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -3.441 -4.173 4.908 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -4.246 -3.123 4.460 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.316 -5.114 5.284 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -1.804 -5.564 5.994 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -5.274 -1.224 2.130 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -4.624 -1.956 1.123 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -5.266 -2.230 -0.088 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -6.566 -1.783 -0.291 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -7.244 -1.094 0.707 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -6.598 -0.809 1.913 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -7.218 -2.005 -1.469 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -8.152 -2.181 -1.272 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4