REMARK VINA RESULT: -2.6 1.898 4.412 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 -2.217 -17.660 2.943 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.227 -17.499 5.013 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.143 -17.264 3.646 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.853 -16.939 5.587 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.259 -16.479 3.055 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.033 -15.595 2.000 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.112 -14.878 1.518 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.364 -14.991 2.008 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.548 -15.846 3.040 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.536 -16.604 3.597 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -2.192 -18.211 5.655 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -2.620 -18.966 6.198 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -1.667 -18.704 4.916 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2