REMARK VINA RESULT: -3.6 2.114 4.064 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 16.779 -30.564 -0.758 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 17.945 -29.079 -2.087 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 17.847 -30.093 -1.143 0.00 0.00 0.265 C ATOM 4 H UNL d 1 18.809 -28.548 -2.173 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 19.135 -30.595 -0.595 0.00 0.00 0.036 A ATOM 6 C UNL d 1 19.444 -31.955 -0.623 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.647 -32.353 -0.071 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.533 -31.501 0.486 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 21.197 -30.192 0.511 0.00 0.00 0.117 A ATOM 10 C UNL d 1 20.018 -29.692 -0.008 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 16.767 -28.528 -2.633 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 16.406 -27.838 -1.969 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 17.052 -27.963 -3.447 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2