REMARK VINA RESULT: -3.6 2.763 3.857 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 -4.613 2.526 7.860 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.533 4.223 8.993 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.783 2.891 8.688 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.045 4.464 9.853 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.979 1.892 9.441 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.662 2.166 9.813 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -0.965 1.181 10.487 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -1.489 -0.021 10.806 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -2.762 -0.261 10.419 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.542 0.653 9.736 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.275 5.230 8.343 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -5.037 5.510 8.967 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -3.671 6.065 8.300 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2