REMARK VINA RESULT: -4.5 1.492 1.551 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 -7.217 -1.775 -0.714 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.696 0.187 0.405 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -7.160 -1.091 0.304 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.860 0.598 1.321 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.498 -1.613 1.529 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.093 -0.750 2.549 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.459 -1.302 3.645 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -5.217 -2.623 3.784 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.609 -3.430 2.772 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.244 -2.979 1.631 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.367 0.742 -0.705 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.158 1.744 -0.729 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.904 0.372 -1.549 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2