REMARK VINA RESULT: -5.5 1.578 2.511 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 29.627 3.901 -43.310 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 30.907 3.361 -42.705 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 31.560 4.049 -41.671 0.00 0.00 0.010 A ATOM 4 C UNL d 1 32.769 3.576 -41.149 0.00 0.00 0.037 A ATOM 5 C UNL d 1 33.331 2.416 -41.670 0.00 0.00 0.065 A ATOM 6 C UNL d 1 32.697 1.714 -42.685 0.00 0.00 0.037 A ATOM 7 C UNL d 1 31.485 2.182 -43.201 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 34.517 1.929 -41.208 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 35.240 2.412 -41.643 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 29.432 5.383 -43.071 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 28.185 5.985 -43.305 0.00 0.00 0.010 A ATOM 12 C UNL d 1 28.025 7.368 -43.177 0.00 0.00 0.037 A ATOM 13 C UNL d 1 29.109 8.152 -42.802 0.00 0.00 0.065 A ATOM 14 C UNL d 1 30.341 7.572 -42.524 0.00 0.00 0.037 A ATOM 15 C UNL d 1 30.504 6.192 -42.665 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 29.002 9.508 -42.693 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 29.723 9.912 -43.203 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4