REMARK VINA RESULT: -3.4 2.082 4.175 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 -3.788 13.382 -14.446 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.115 13.012 -16.623 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.091 12.774 -15.255 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -2.349 12.686 -17.209 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.146 11.722 -14.797 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.378 10.376 -15.083 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -1.473 9.450 -14.602 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -0.381 9.776 -13.880 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -0.191 11.087 -13.607 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.039 12.090 -14.035 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -3.963 14.016 -17.134 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -3.482 14.464 -17.919 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.761 13.535 -17.576 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2