REMARK VINA RESULT: 5.7 0.000 0.000 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 24.969 -4.130 0.678 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 24.228 -3.718 -1.469 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 24.056 -4.092 -0.142 0.00 0.00 0.265 C ATOM 4 H UNL d 1 23.519 -3.955 -2.160 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 22.671 -4.464 0.251 0.00 0.00 0.036 A ATOM 6 C UNL d 1 22.290 -4.493 1.593 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.995 -4.875 1.886 0.00 0.00 0.117 A ATOM 8 N UNL d 1 20.085 -5.214 0.950 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 20.489 -5.190 -0.340 0.00 0.00 0.117 A ATOM 10 C UNL d 1 21.761 -4.829 -0.739 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 25.518 -3.379 -1.928 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 26.015 -4.249 -2.141 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 25.398 -2.931 -2.850 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2