REMARK VINA RESULT: -3.0 1.668 4.318 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 45.088 64.473 59.045 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 43.295 63.914 60.387 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 43.881 64.294 59.186 0.00 0.00 0.265 C ATOM 4 H UNL d 1 42.295 64.038 60.525 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 42.950 64.490 58.044 0.00 0.00 0.036 A ATOM 6 C UNL d 1 42.668 65.768 57.559 0.00 0.00 0.036 A ATOM 7 C UNL d 1 41.772 65.876 56.514 0.00 0.00 0.117 A ATOM 8 N UNL d 1 41.162 64.819 55.938 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 41.445 63.596 56.440 0.00 0.00 0.117 A ATOM 10 C UNL d 1 42.321 63.379 57.486 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 44.108 63.738 61.526 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 43.613 63.118 62.173 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 44.924 63.182 61.226 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2