REMARK VINA RESULT: -4.9 0.040 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 -1.692 9.555 -14.525 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 0.026 10.908 -13.786 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -1.277 10.665 -14.200 0.00 0.00 0.265 C ATOM 4 H UNL d 1 0.390 11.859 -13.786 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.176 11.849 -14.240 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.099 12.840 -13.261 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.984 13.898 -13.345 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.908 14.024 -14.320 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.967 13.040 -15.245 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.133 11.938 -15.247 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 0.949 9.842 -13.749 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 0.731 9.211 -14.525 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.868 10.236 -14.001 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2