REMARK VINA RESULT: -2.7 2.076 2.695 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 -1.034 -15.749 4.851 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -0.892 -17.196 4.428 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -0.787 -17.542 3.073 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -0.708 -18.884 2.681 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -0.744 -19.882 3.648 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -0.837 -19.561 4.995 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -0.908 -18.222 5.387 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -0.692 -21.202 3.313 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 0.229 -21.503 3.384 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -2.416 -15.408 5.365 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.585 -14.840 6.638 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.863 -14.611 7.155 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.979 -14.939 6.393 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -4.835 -15.463 5.114 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -3.557 -15.703 4.603 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.244 -14.758 6.871 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -6.203 -14.128 7.609 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4