REMARK VINA RESULT: -4.5 2.460 2.652 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 11.961 2.873 -11.929 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.985 3.365 -10.841 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 11.256 2.809 -10.925 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.347 3.064 -10.108 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.735 2.102 -9.708 0.00 0.00 0.036 A ATOM 6 C UNL d 1 12.890 1.320 -9.742 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.262 0.670 -8.581 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.574 0.755 -7.423 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 11.451 1.509 -7.427 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.991 2.193 -8.535 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.446 4.027 -11.964 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.564 4.461 -11.679 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.064 4.829 -12.162 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2