REMARK VINA RESULT: -4.0 2.064 4.329 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 -2.898 -0.826 5.840 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.583 -2.464 4.364 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.719 -1.254 5.033 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.393 -2.894 3.923 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.948 -0.477 4.723 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.939 0.522 3.748 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.110 1.221 3.532 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.256 0.988 4.206 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.229 0.024 5.153 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.109 -0.728 5.451 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.458 -3.274 4.626 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -1.620 -2.731 4.398 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -2.407 -3.391 5.649 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2