REMARK VINA RESULT: -3.6 1.896 4.364 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 -5.469 -1.713 0.513 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.589 -2.525 0.096 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.629 -1.891 0.875 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -8.438 -2.883 0.528 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -7.083 -1.430 2.214 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -7.498 -0.113 2.416 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -7.880 0.252 3.692 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.877 -0.591 4.745 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.455 -1.856 4.520 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -7.047 -2.321 3.284 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.230 -3.018 -1.175 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -6.424 -3.638 -1.056 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.988 -3.652 -1.474 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2