REMARK VINA RESULT: -4.8 1.999 2.699 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 1 112.505 84.242 50.005 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 112.692 83.725 52.247 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 112.870 84.543 51.138 0.00 0.00 0.265 C ATOM 4 H UNL d 1 113.235 83.889 53.091 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 113.553 85.839 51.393 0.00 0.00 0.036 A ATOM 6 C UNL d 1 113.423 86.905 50.502 0.00 0.00 0.036 A ATOM 7 C UNL d 1 114.107 88.071 50.789 0.00 0.00 0.117 A ATOM 8 N UNL d 1 114.885 88.233 51.879 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 115.002 87.176 52.715 0.00 0.00 0.117 A ATOM 10 C UNL d 1 114.365 85.967 52.517 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 112.079 82.465 52.083 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 111.186 82.610 51.604 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 112.646 81.945 51.396 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2