REMARK VINA RESULT: -2.8 2.332 4.625 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 30.107 4.217 -43.003 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.751 2.113 -43.701 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.885 3.268 -42.942 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.544 1.485 -43.815 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 32.057 3.310 -42.028 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.904 2.209 -41.898 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.957 2.308 -41.009 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.210 3.408 -40.269 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.362 4.452 -40.406 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.278 4.452 -41.262 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.682 2.008 -44.615 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.572 2.916 -45.075 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.998 1.383 -45.373 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2