REMARK VINA RESULT: -3.5 2.295 4.281 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 -2.030 3.231 9.524 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.182 1.396 8.726 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -2.166 2.013 9.445 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.100 0.415 8.471 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.212 1.101 10.130 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.507 0.566 11.385 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -0.562 -0.252 11.974 0.00 0.00 0.117 A ATOM 8 N UNL d 1 0.619 -0.563 11.402 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 0.881 -0.018 10.193 0.00 0.00 0.117 A ATOM 10 C UNL d 1 0.008 0.816 9.522 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.110 2.192 8.023 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.593 1.591 7.350 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.848 2.454 8.695 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2