REMARK VINA RESULT: -3.7 0.000 0.000 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 36.687 -39.920 -43.384 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 38.701 -38.795 -43.469 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 37.375 -39.004 -43.827 0.00 0.00 0.265 C ATOM 4 H UNL d 1 39.297 -38.206 -44.048 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.811 -38.042 -44.811 0.00 0.00 0.036 A ATOM 6 C UNL d 1 37.417 -37.847 -46.052 0.00 0.00 0.036 A ATOM 7 C UNL d 1 36.854 -36.917 -46.905 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.753 -36.198 -46.605 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 35.196 -36.400 -45.389 0.00 0.00 0.117 A ATOM 10 C UNL d 1 35.685 -37.300 -44.462 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 39.319 -39.682 -42.564 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 40.329 -39.515 -42.600 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 39.052 -39.375 -41.616 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2