REMARK VINA RESULT: -5.1 2.682 2.768 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 3.294 5.307 5.541 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 3.290 4.545 3.362 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 3.790 4.614 4.656 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.873 4.181 2.611 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.997 3.789 4.928 0.00 0.00 0.036 A ATOM 6 C UNL d 1 4.886 2.526 5.512 0.00 0.00 0.036 A ATOM 7 C UNL d 1 6.051 1.828 5.761 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.282 2.297 5.469 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.357 3.529 4.919 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.254 4.311 4.634 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 2.164 5.320 3.015 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 2.430 6.307 3.080 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.001 5.175 2.007 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2