REMARK VINA RESULT: 12.4 1.386 2.401 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 21.462 -4.665 2.025 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 22.201 -4.424 0.724 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 21.671 -4.866 -0.497 0.00 0.00 0.010 A ATOM 4 C UNL d 1 22.379 -4.689 -1.691 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.626 -4.074 -1.661 0.00 0.00 0.065 A ATOM 6 C UNL d 1 24.164 -3.619 -0.466 0.00 0.00 0.037 A ATOM 7 C UNL d 1 23.454 -3.790 0.725 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.362 -3.898 -2.795 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 24.499 -4.765 -3.212 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.910 -6.069 2.147 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.584 -6.349 1.778 0.00 0.00 0.010 A ATOM 12 C UNL d 1 19.041 -7.622 1.977 0.00 0.00 0.037 A ATOM 13 C UNL d 1 19.828 -8.623 2.535 0.00 0.00 0.065 A ATOM 14 C UNL d 1 21.154 -8.379 2.869 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.693 -7.104 2.681 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 19.327 -9.870 2.772 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 18.374 -9.789 2.937 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4