REMARK VINA RESULT: -4.3 1.511 2.033 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 -6.831 -2.101 -0.746 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.604 -0.374 0.576 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.908 -1.555 0.352 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.861 -0.109 1.525 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.244 -2.152 1.541 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.938 -3.009 2.395 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.266 -3.505 3.495 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.982 -3.209 3.783 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.341 -2.364 2.945 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -4.923 -1.809 1.822 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.286 0.239 -0.495 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.984 0.875 -0.100 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -7.612 0.868 -0.957 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2