REMARK VINA RESULT: -3.4 0.444 1.552 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 13.769 43.783 28.334 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.299 41.784 27.307 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 14.334 43.167 27.434 0.00 0.00 0.265 C ATOM 4 H UNL d 1 14.547 41.349 26.421 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 15.106 43.894 26.391 0.00 0.00 0.036 A ATOM 6 C UNL d 1 16.251 43.331 25.824 0.00 0.00 0.036 A ATOM 7 C UNL d 1 16.934 44.074 24.881 0.00 0.00 0.117 A ATOM 8 N UNL d 1 16.553 45.304 24.478 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 15.448 45.828 25.057 0.00 0.00 0.117 A ATOM 10 C UNL d 1 14.698 45.171 26.013 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 13.563 41.025 28.240 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 12.738 40.653 27.761 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 14.125 40.187 28.452 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2