REMARK VINA RESULT: -3.3 1.549 4.095 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 34.838 -36.919 -44.478 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 35.887 -36.668 -46.519 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 35.807 -37.115 -45.206 0.00 0.00 0.265 C ATOM 4 H UNL d 1 36.791 -36.618 -46.984 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.992 -37.859 -44.702 0.00 0.00 0.036 A ATOM 6 C UNL d 1 38.269 -37.595 -45.199 0.00 0.00 0.036 A ATOM 7 C UNL d 1 39.320 -38.343 -44.705 0.00 0.00 0.117 A ATOM 8 N UNL d 1 39.178 -39.306 -43.770 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 37.926 -39.548 -43.320 0.00 0.00 0.117 A ATOM 10 C UNL d 1 36.809 -38.861 -43.753 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.816 -35.929 -47.062 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 33.944 -36.346 -46.726 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.836 -35.001 -46.612 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2