REMARK VINA RESULT: -3.2 0.000 0.000 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 42.826 66.332 57.555 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 41.909 64.282 57.020 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 42.692 65.134 57.789 0.00 0.00 0.265 C ATOM 4 H UNL d 1 42.038 63.275 57.087 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 43.390 64.507 58.943 0.00 0.00 0.036 A ATOM 6 C UNL d 1 42.706 64.218 60.124 0.00 0.00 0.036 A ATOM 7 C UNL d 1 43.424 63.661 61.164 0.00 0.00 0.117 A ATOM 8 N UNL d 1 44.742 63.379 61.097 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 45.379 63.684 59.944 0.00 0.00 0.117 A ATOM 10 C UNL d 1 44.755 64.248 58.848 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 41.237 64.794 55.891 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 41.546 64.261 55.073 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 40.244 64.538 55.993 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2