REMARK VINA RESULT: -1.0 2.455 2.793 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 17.867 -32.246 -1.321 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 19.466 -31.134 -0.081 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 18.385 -31.195 -0.951 0.00 0.00 0.265 C ATOM 4 H UNL d 1 20.018 -30.281 -0.017 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 17.870 -29.888 -1.438 0.00 0.00 0.036 A ATOM 6 C UNL d 1 17.494 -29.717 -2.771 0.00 0.00 0.036 A ATOM 7 C UNL d 1 17.051 -28.467 -3.160 0.00 0.00 0.117 A ATOM 8 N UNL d 1 16.959 -27.413 -2.323 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 17.344 -27.607 -1.042 0.00 0.00 0.117 A ATOM 10 C UNL d 1 17.807 -28.813 -0.554 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.031 -32.332 0.402 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 21.028 -32.326 0.169 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 20.018 -32.273 1.432 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2