REMARK VINA RESULT: -4.7 2.143 2.238 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 9.945 2.089 -12.372 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.058 4.295 -11.702 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.321 2.937 -11.568 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.151 4.912 -10.898 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.097 2.544 -10.362 0.00 0.00 0.036 A ATOM 6 C UNL d 1 12.329 1.898 -10.481 0.00 0.00 0.036 A ATOM 7 C UNL d 1 12.982 1.538 -9.319 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.497 1.779 -8.083 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 11.295 2.393 -8.001 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.559 2.789 -9.101 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.302 4.745 -12.803 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.747 3.957 -13.147 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 8.597 5.401 -12.432 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2