REMARK VINA RESULT: -6.9 2.431 6.239 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 -5.314 -1.278 2.839 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -6.648 -1.689 3.426 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -7.850 -1.365 2.778 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -9.083 -1.700 3.348 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -9.114 -2.355 4.574 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -7.938 -2.695 5.227 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -6.706 -2.368 4.655 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -10.292 -2.683 5.178 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -10.987 -2.094 4.840 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.871 -2.156 1.689 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.590 -2.009 1.131 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.211 -2.752 0.009 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.107 -3.654 -0.551 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.364 -3.846 0.010 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.748 -3.095 1.124 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -3.786 -4.377 -1.663 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -3.191 -5.097 -1.396 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4