REMARK VINA RESULT: -4.9 2.359 2.469 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 2.527 2.990 3.238 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 3.061 5.215 3.543 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 3.305 3.851 3.640 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.592 5.868 4.116 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.590 3.467 4.282 0.00 0.00 0.036 A ATOM 6 C UNL d 1 4.716 2.258 4.968 0.00 0.00 0.036 A ATOM 7 C UNL d 1 5.931 1.979 5.563 0.00 0.00 0.117 A ATOM 8 N UNL d 1 6.996 2.806 5.513 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.837 3.976 4.855 0.00 0.00 0.117 A ATOM 10 C UNL d 1 5.664 4.352 4.231 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.851 5.660 2.973 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.962 5.657 1.956 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.150 4.923 3.148 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2