REMARK VINA RESULT: -4.0 0.000 0.000 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 4.818 -3.354 13.039 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 4.121 -5.513 12.611 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.609 -4.266 12.242 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.719 -6.129 11.908 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.870 -4.075 10.791 0.00 0.00 0.036 A ATOM 6 C UNL d 1 3.893 -3.536 9.952 0.00 0.00 0.036 A ATOM 7 C UNL d 1 4.194 -3.413 8.609 0.00 0.00 0.117 A ATOM 8 N UNL d 1 5.375 -3.781 8.071 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.295 -4.313 8.907 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.092 -4.484 10.263 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 3.821 -5.763 13.966 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 4.378 -6.567 14.268 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 4.209 -4.975 14.507 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2