REMARK VINA RESULT: -4.7 1.743 4.413 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 30.274 3.855 -43.587 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.172 5.435 -41.907 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.733 4.343 -42.557 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.418 5.632 -40.939 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.949 3.767 -41.924 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.406 2.496 -42.274 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.526 2.014 -41.626 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.200 2.704 -40.683 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.725 3.927 -40.356 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.610 4.498 -40.939 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.999 6.020 -42.428 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 28.835 5.621 -43.356 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 28.213 5.664 -41.863 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2