REMARK VINA RESULT: -5.3 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 1 112.019 82.628 50.278 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 110.263 84.023 49.732 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 111.567 83.761 50.133 0.00 0.00 0.265 C ATOM 4 H UNL d 1 109.861 84.946 49.882 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.415 84.953 50.396 0.00 0.00 0.036 A ATOM 6 C UNL d 1 113.186 85.043 51.556 0.00 0.00 0.036 A ATOM 7 C UNL d 1 113.930 86.191 51.748 0.00 0.00 0.117 A ATOM 8 N UNL d 1 113.953 87.221 50.877 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 113.184 87.110 49.770 0.00 0.00 0.117 A ATOM 10 C UNL d 1 112.401 86.008 49.487 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 109.385 82.945 49.491 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 108.428 83.289 49.605 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 109.452 82.725 48.486 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2