REMARK VINA RESULT: -4.8 1.311 1.687 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 1 112.471 83.458 50.368 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 111.092 85.302 50.198 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 112.244 84.642 50.606 0.00 0.00 0.265 C ATOM 4 H UNL d 1 110.828 86.182 50.636 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 113.220 85.458 51.375 0.00 0.00 0.036 A ATOM 6 C UNL d 1 113.849 84.943 52.509 0.00 0.00 0.036 A ATOM 7 C UNL d 1 114.724 85.768 53.191 0.00 0.00 0.117 A ATOM 8 N UNL d 1 115.002 87.034 52.818 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 114.365 87.509 51.724 0.00 0.00 0.117 A ATOM 10 C UNL d 1 113.469 86.769 50.976 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 110.103 84.589 49.489 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 110.423 84.485 48.522 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 110.109 83.625 49.856 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2