REMARK VINA RESULT: -4.9 0.084 1.494 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 32.616 2.689 -41.977 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.978 4.603 -40.738 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.280 3.825 -41.653 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.825 5.608 -40.704 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.072 4.455 -42.250 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.323 3.791 -43.221 0.00 0.00 0.036 A ATOM 7 C UNL d 1 29.229 4.447 -43.751 0.00 0.00 0.117 A ATOM 8 N UNL d 1 28.847 5.686 -43.378 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 29.602 6.310 -42.445 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.717 5.744 -41.858 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.152 4.088 -40.150 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.842 3.949 -40.894 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.556 4.846 -39.578 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2