REMARK VINA RESULT: -5.2 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 32.726 74.815 103.103 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.095 73.095 104.507 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.808 74.243 104.187 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.388 72.518 105.292 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.710 74.762 105.248 0.00 0.00 0.036 A ATOM 6 C UNL d 1 34.203 76.067 105.196 0.00 0.00 0.036 A ATOM 7 C UNL d 1 35.059 76.472 106.202 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.437 75.681 107.227 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 34.953 74.418 107.242 0.00 0.00 0.117 A ATOM 10 C UNL d 1 34.098 73.913 106.282 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 31.239 72.523 103.542 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 31.806 71.926 102.934 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.629 71.858 104.042 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2