REMARK VINA RESULT: -5.3 0.048 1.493 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 1 112.034 82.656 50.248 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 110.228 84.000 49.739 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 111.543 83.775 50.123 0.00 0.00 0.265 C ATOM 4 H UNL d 1 109.797 84.907 49.906 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.355 84.991 50.395 0.00 0.00 0.036 A ATOM 6 C UNL d 1 112.384 86.051 49.487 0.00 0.00 0.036 A ATOM 7 C UNL d 1 113.182 87.137 49.791 0.00 0.00 0.117 A ATOM 8 N UNL d 1 113.925 87.228 50.913 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 113.887 86.179 51.765 0.00 0.00 0.117 A ATOM 10 C UNL d 1 113.128 85.045 51.552 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 109.383 82.897 49.492 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 109.775 82.371 48.707 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 109.486 82.258 50.295 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2