REMARK VINA RESULT: -4.8 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 8.267 -16.790 3.240 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.471 -15.242 2.023 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.068 -15.860 3.200 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.914 -14.326 2.057 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.664 -15.322 4.452 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.869 -16.145 5.560 0.00 0.00 0.036 A ATOM 7 C UNL d 1 10.402 -15.572 6.698 0.00 0.00 0.117 A ATOM 8 N UNL d 1 10.736 -14.268 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.511 -13.494 5.707 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.978 -13.967 4.524 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.929 -15.674 0.796 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.702 -15.795 0.136 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 8.579 -16.633 0.946 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2