REMARK VINA RESULT: -5.0 0.338 5.893 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 -2.251 -1.471 8.402 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -2.878 -0.115 8.652 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -2.132 1.063 8.496 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -2.698 2.311 8.778 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -4.012 2.380 9.226 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -4.772 1.229 9.378 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -4.210 -0.017 9.089 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -4.599 3.572 9.534 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -3.905 4.200 9.795 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -0.993 -1.706 9.208 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -1.030 -1.689 10.612 0.00 0.00 0.010 A ATOM 12 C UNL d 1 0.145 -1.811 11.359 0.00 0.00 0.037 A ATOM 13 C UNL d 1 1.361 -1.964 10.704 0.00 0.00 0.065 A ATOM 14 C UNL d 1 1.417 -2.025 9.317 0.00 0.00 0.037 A ATOM 15 C UNL d 1 0.244 -1.890 8.570 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 2.534 -2.058 11.396 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 2.336 -1.968 12.343 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4