REMARK VINA RESULT: -5.1 0.045 1.493 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 1.750 5.695 2.912 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 2.693 5.675 5.018 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 2.640 5.328 3.674 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.281 5.144 5.657 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 3.741 4.457 3.187 0.00 0.00 0.036 A ATOM 6 C UNL d 1 4.835 4.996 2.507 0.00 0.00 0.036 A ATOM 7 C UNL d 1 5.808 4.123 2.058 0.00 0.00 0.117 A ATOM 8 N UNL d 1 5.759 2.788 2.245 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 4.680 2.295 2.894 0.00 0.00 0.117 A ATOM 10 C UNL d 1 3.651 3.080 3.377 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.669 6.476 5.565 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.302 7.071 4.818 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 0.883 5.844 5.786 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2