REMARK VINA RESULT: -3.9 0.000 0.000 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 21.045 4.623 -10.996 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.713 5.288 -13.182 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.090 5.494 -11.861 0.00 0.00 0.265 C ATOM 4 H UNL d 1 20.515 6.084 -13.784 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.558 6.866 -11.528 0.00 0.00 0.036 A ATOM 6 C UNL d 1 20.680 7.950 -11.555 0.00 0.00 0.036 A ATOM 7 C UNL d 1 21.190 9.199 -11.261 0.00 0.00 0.117 A ATOM 8 N UNL d 1 22.483 9.425 -10.947 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 23.312 8.356 -10.944 0.00 0.00 0.117 A ATOM 10 C UNL d 1 22.903 7.068 -11.229 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.229 4.022 -13.571 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 20.956 3.331 -13.367 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 19.468 3.780 -12.919 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2