REMARK VINA RESULT: -4.3 2.117 3.667 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 9.760 3.042 -8.229 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 11.655 1.724 -8.248 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.753 2.617 -8.813 0.00 0.00 0.265 C ATOM 4 H UNL d 1 12.296 1.204 -8.844 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.050 3.042 -10.207 0.00 0.00 0.036 A ATOM 6 C UNL d 1 12.308 3.538 -10.552 0.00 0.00 0.036 A ATOM 7 C UNL d 1 12.505 3.940 -11.859 0.00 0.00 0.117 A ATOM 8 N UNL d 1 11.553 3.875 -12.813 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.341 3.403 -12.443 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.039 2.981 -11.163 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.428 1.249 -6.940 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 10.946 1.986 -6.417 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.725 0.498 -7.013 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2