REMARK VINA RESULT: -2.8 2.278 2.758 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 1.025 11.487 -14.305 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.593 13.691 -14.839 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 0.221 12.392 -14.517 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.085 14.324 -15.260 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.242 12.136 -14.446 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.125 13.132 -14.029 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.468 12.815 -13.961 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.967 11.602 -14.278 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.084 10.654 -14.664 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.722 10.867 -14.760 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.962 14.009 -14.956 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 2.311 14.243 -14.022 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.452 13.132 -15.190 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2