REMARK VINA RESULT: -3.9 2.456 2.718 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 32.070 9.074 30.808 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.798 7.249 31.425 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 31.957 8.015 31.421 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.835 6.274 31.715 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.094 7.474 32.211 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.988 6.252 32.876 0.00 0.00 0.036 A ATOM 7 C UNL d 1 34.074 5.823 33.614 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.226 6.518 33.721 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 35.293 7.705 33.077 0.00 0.00 0.117 A ATOM 10 C UNL d 1 34.262 8.225 32.319 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.684 7.680 30.676 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.994 8.434 30.057 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.445 6.912 30.030 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2