REMARK VINA RESULT: -2.7 1.859 4.193 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 42.445 63.658 60.227 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 44.744 63.868 60.215 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 43.482 63.962 59.643 0.00 0.00 0.265 C ATOM 4 H UNL d 1 45.572 63.871 59.623 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 43.442 64.456 58.241 0.00 0.00 0.036 A ATOM 6 C UNL d 1 42.576 65.485 57.868 0.00 0.00 0.036 A ATOM 7 C UNL d 1 42.573 65.875 56.542 0.00 0.00 0.117 A ATOM 8 N UNL d 1 43.359 65.320 55.597 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 44.176 64.315 55.987 0.00 0.00 0.117 A ATOM 10 C UNL d 1 44.251 63.847 57.285 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 44.869 63.379 61.532 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 44.327 62.513 61.599 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 45.847 63.068 61.643 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2