REMARK VINA RESULT: 6.7 2.857 4.719 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 22.416 -7.889 3.379 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.304 -8.176 2.493 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 21.506 -7.498 2.652 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.497 -7.693 2.105 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 21.643 -6.233 1.883 0.00 0.00 0.036 A ATOM 6 C UNL d 1 22.874 -5.585 1.782 0.00 0.00 0.036 A ATOM 7 C UNL d 1 22.922 -4.399 1.076 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.849 -3.841 0.478 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 20.667 -4.485 0.607 0.00 0.00 0.117 A ATOM 10 C UNL d 1 20.511 -5.672 1.296 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.085 -9.370 3.211 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 19.685 -9.121 4.120 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 19.320 -9.869 2.733 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2