REMARK VINA RESULT: -4.8 2.147 4.308 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 -15.836 22.765 -24.349 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -15.704 22.411 -26.627 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -16.205 22.164 -25.355 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -15.836 21.725 -27.367 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -17.238 21.099 -25.262 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -18.338 21.238 -24.415 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -19.244 20.197 -24.358 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -19.124 19.061 -25.077 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -18.040 18.950 -25.878 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -17.074 19.930 -26.001 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -14.699 23.387 -26.795 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -14.774 24.051 -26.019 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -13.797 22.916 -26.631 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2