REMARK VINA RESULT: -4.6 1.790 4.351 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 1 114.171 86.139 52.081 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 113.511 87.382 50.251 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 113.498 86.253 51.061 0.00 0.00 0.265 C ATOM 4 H UNL d 1 113.156 87.328 49.299 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.607 85.148 50.616 0.00 0.00 0.036 A ATOM 6 C UNL d 1 111.437 85.413 49.903 0.00 0.00 0.036 A ATOM 7 C UNL d 1 110.644 84.340 49.546 0.00 0.00 0.117 A ATOM 8 N UNL d 1 110.941 83.058 49.845 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 112.073 82.835 50.550 0.00 0.00 0.117 A ATOM 10 C UNL d 1 112.931 83.838 50.960 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 114.353 88.462 50.588 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 113.797 89.320 50.540 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 114.573 88.366 51.591 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2