REMARK VINA RESULT: -4.4 1.999 4.399 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 -5.704 -3.427 0.601 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.026 -1.635 1.208 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.975 -2.525 1.389 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.372 -1.091 1.996 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.172 -2.336 2.626 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.801 -2.085 2.558 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.112 -1.947 3.748 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.692 -2.037 4.963 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.019 -2.295 4.995 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.797 -2.456 3.865 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.854 -1.767 0.074 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.304 -1.507 -0.749 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.028 -2.775 -0.052 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2