REMARK VINA RESULT: -4.8 0.173 1.500 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 -6.125 -1.553 4.946 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.927 -1.640 4.247 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.299 -1.603 4.038 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.307 -1.946 3.499 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.739 -1.635 2.618 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -5.573 -2.783 1.842 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.980 -2.733 0.523 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.530 -1.641 -0.049 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.664 -0.541 0.724 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.284 -0.485 2.051 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -3.430 -1.642 5.567 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -2.448 -1.931 5.532 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -3.388 -0.658 5.871 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2