REMARK VINA RESULT: -4.2 2.311 4.139 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 8.849 -12.734 6.675 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.998 -12.781 5.832 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.680 -13.215 5.909 0.00 0.00 0.265 C ATOM 4 H UNL d 1 11.701 -13.370 5.391 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.311 -14.330 4.997 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.497 -15.375 5.435 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.218 -16.391 4.541 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.684 -16.424 3.276 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.482 -15.404 2.886 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.826 -14.344 3.703 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.434 -11.747 6.686 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.837 -11.008 6.103 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.588 -11.314 7.086 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2