REMARK VINA RESULT: -5.0 2.674 3.132 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 3.293 5.301 5.590 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 3.307 4.572 3.400 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 3.802 4.629 4.697 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.897 4.228 2.646 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.020 3.819 4.962 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.291 4.323 4.684 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.376 3.504 4.929 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.273 2.253 5.424 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.027 1.788 5.668 0.00 0.00 0.117 A ATOM 10 C UNL d 1 4.878 2.523 5.453 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 2.171 5.336 3.061 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 2.470 6.308 2.942 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.890 5.046 2.112 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2