REMARK VINA RESULT: -3.5 2.032 4.423 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 -6.616 -1.357 -0.037 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -5.224 -2.803 1.104 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.230 -1.849 1.021 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.763 -2.979 1.994 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.834 -1.430 2.313 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -7.371 -0.152 2.473 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -7.891 0.178 3.710 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.909 -0.666 4.763 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.368 -1.892 4.580 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.818 -2.318 3.387 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.581 -3.232 -0.076 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.318 -2.399 -0.611 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -3.676 -3.638 0.209 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2