REMARK VINA RESULT: -2.8 2.299 2.582 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 43.761 65.173 56.570 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 45.663 64.099 57.318 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 44.339 64.507 57.425 0.00 0.00 0.265 C ATOM 4 H UNL d 1 46.168 63.791 58.146 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 43.633 64.096 58.668 0.00 0.00 0.036 A ATOM 6 C UNL d 1 42.289 63.724 58.638 0.00 0.00 0.036 A ATOM 7 C UNL d 1 41.690 63.380 59.835 0.00 0.00 0.117 A ATOM 8 N UNL d 1 42.333 63.379 61.020 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 43.631 63.758 61.018 0.00 0.00 0.117 A ATOM 10 C UNL d 1 44.321 64.126 59.879 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 46.411 64.475 56.183 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 47.133 65.133 56.487 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 46.943 63.642 55.888 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2