REMARK VINA RESULT: -4.7 2.490 4.137 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 4.869 2.411 5.146 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 6.200 4.276 4.859 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.989 3.594 4.839 0.00 0.00 0.265 C ATOM 4 H UNL d 1 6.297 5.153 4.353 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 3.807 4.387 4.408 0.00 0.00 0.036 A ATOM 6 C UNL d 1 3.296 4.267 3.115 0.00 0.00 0.036 A ATOM 7 C UNL d 1 2.213 5.054 2.775 0.00 0.00 0.117 A ATOM 8 N UNL d 1 1.624 5.923 3.623 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 2.152 6.027 4.864 0.00 0.00 0.117 A ATOM 10 C UNL d 1 3.236 5.290 5.301 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 7.373 3.586 5.228 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 7.283 3.316 6.211 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 7.362 2.687 4.722 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2