REMARK VINA RESULT: -4.3 1.998 4.359 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 -5.673 -3.475 0.585 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.996 -1.678 1.179 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.956 -2.578 1.376 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.357 -1.139 1.964 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.181 -2.407 2.633 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.806 -2.492 3.878 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.029 -2.295 5.003 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.706 -2.032 4.963 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.133 -1.942 3.741 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.821 -2.116 2.556 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.798 -1.792 0.025 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.178 -0.866 -0.187 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.160 -1.984 -0.763 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2