REMARK VINA RESULT: -3.5 2.001 4.418 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 -6.946 -1.332 -0.174 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -5.066 -2.317 0.734 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.294 -1.672 0.810 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -4.452 -2.336 1.545 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.796 -1.395 2.182 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.722 -2.365 3.182 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -7.233 -2.048 4.426 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -7.792 -0.857 4.723 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -7.863 0.057 3.729 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -7.387 -0.163 2.450 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.507 -2.589 -0.532 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.863 -3.497 -0.844 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.927 -1.918 -1.193 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2