REMARK VINA RESULT: -4.7 1.531 1.747 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 1 110.215 82.798 51.880 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 110.172 84.187 50.036 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 110.695 83.729 51.239 0.00 0.00 0.265 C ATOM 4 H UNL d 1 110.431 85.107 49.687 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 111.898 84.448 51.737 0.00 0.00 0.036 A ATOM 6 C UNL d 1 112.326 84.301 53.057 0.00 0.00 0.036 A ATOM 7 C UNL d 1 113.436 85.019 53.458 0.00 0.00 0.117 A ATOM 8 N UNL d 1 114.125 85.847 52.645 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 113.677 85.979 51.376 0.00 0.00 0.117 A ATOM 10 C UNL d 1 112.575 85.310 50.878 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 109.013 83.577 49.512 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 109.025 83.702 48.496 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 109.129 82.560 49.638 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2