REMARK VINA RESULT: -4.3 1.977 2.467 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 -7.136 -1.652 2.967 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -5.316 -1.922 4.361 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.949 -1.927 3.125 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.428 -2.405 4.479 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.099 -2.301 1.964 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.612 -3.071 0.918 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.757 -3.404 -0.115 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.464 -3.024 -0.168 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.993 -2.292 0.867 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.762 -1.911 1.950 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -6.061 -1.606 5.517 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -5.582 -2.018 6.322 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -5.966 -0.590 5.664 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2