REMARK VINA RESULT: -4.2 2.380 2.782 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 -6.924 0.204 1.534 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -4.816 -0.207 2.382 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.021 -0.585 1.803 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.223 -0.906 2.824 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.176 -2.036 1.521 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.805 -2.571 0.287 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.003 -3.923 0.085 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.529 -4.749 1.013 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.892 -4.198 2.194 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.742 -2.858 2.493 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.603 1.149 2.708 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -5.511 1.620 2.703 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.316 1.176 3.698 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2