REMARK VINA RESULT: -3.9 0.829 1.597 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 -7.584 -1.694 3.702 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.927 0.510 3.108 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -7.580 -0.810 2.849 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.657 1.244 2.456 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -7.181 -1.112 1.449 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.993 -1.790 1.172 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.673 -2.013 -0.153 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.445 -1.617 -1.186 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.582 -0.950 -0.885 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -7.990 -0.671 0.405 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.288 0.885 4.418 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.400 0.030 4.970 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.463 1.342 4.836 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2