REMARK VINA RESULT: -4.3 1.963 2.325 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 4.895 -7.671 -3.307 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 6.284 -7.145 -1.540 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 6.006 -7.362 -2.883 0.00 0.00 0.265 C ATOM 4 H UNL d 1 7.248 -7.157 -1.212 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.154 -7.206 -3.815 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.458 -7.087 -3.333 0.00 0.00 0.036 A ATOM 7 C UNL d 1 9.473 -6.917 -4.256 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.271 -6.865 -5.589 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.994 -6.969 -6.023 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.909 -7.135 -5.185 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 5.255 -7.302 -0.588 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 5.089 -6.391 -0.152 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 4.388 -7.487 -1.115 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2