REMARK VINA RESULT: -3.6 1.981 3.943 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 34.747 -37.277 -46.201 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 35.570 -36.033 -44.439 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 35.569 -37.122 -45.302 0.00 0.00 0.265 C ATOM 4 H UNL d 1 36.087 -36.079 -43.564 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.640 -38.128 -45.076 0.00 0.00 0.036 A ATOM 6 C UNL d 1 37.555 -38.440 -46.082 0.00 0.00 0.036 A ATOM 7 C UNL d 1 38.507 -39.404 -45.811 0.00 0.00 0.117 A ATOM 8 N UNL d 1 38.599 -40.053 -44.631 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 37.689 -39.739 -43.682 0.00 0.00 0.117 A ATOM 10 C UNL d 1 36.695 -38.795 -43.854 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.568 -35.049 -44.569 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.059 -35.232 -45.438 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 33.872 -35.233 -43.831 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2