REMARK VINA RESULT: -7.3 1.467 2.404 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 -5.028 -2.180 4.678 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -3.658 -1.926 5.271 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -2.847 -2.992 5.690 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -1.603 -2.753 6.286 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -1.173 -1.443 6.470 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -1.954 -0.375 6.052 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -3.193 -0.613 5.451 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 0.020 -1.161 7.064 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 0.196 -1.836 7.741 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -6.002 -1.047 4.915 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -6.905 -1.095 5.989 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -7.869 -0.096 6.158 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -7.924 0.962 5.258 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -7.013 1.052 4.213 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -6.058 0.047 4.037 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -8.867 1.941 5.370 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -9.558 1.631 5.978 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4