REMARK VINA RESULT: -4.7 2.730 4.141 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 6.337 4.623 5.043 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 6.157 2.338 5.314 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 5.710 3.579 4.880 0.00 0.00 0.265 C ATOM 4 H UNL d 1 5.503 1.563 5.398 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.391 3.589 4.195 0.00 0.00 0.036 A ATOM 6 C UNL d 1 3.784 4.790 3.825 0.00 0.00 0.036 A ATOM 7 C UNL d 1 2.545 4.724 3.216 0.00 0.00 0.117 A ATOM 8 N UNL d 1 1.899 3.569 2.958 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 2.507 2.423 3.342 0.00 0.00 0.117 A ATOM 10 C UNL d 1 3.740 2.380 3.962 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 7.386 2.248 6.000 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 7.376 2.940 6.755 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 7.387 1.343 6.494 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2