REMARK VINA RESULT: -3.9 0.058 1.493 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 20.934 -29.056 0.526 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 19.932 -30.948 1.388 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 20.153 -29.995 0.402 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.102 -31.535 1.350 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 19.369 -30.166 -0.850 0.00 0.00 0.036 A ATOM 6 C UNL d 1 18.184 -29.457 -1.056 0.00 0.00 0.036 A ATOM 7 C UNL d 1 17.493 -29.686 -2.230 0.00 0.00 0.117 A ATOM 8 N UNL d 1 17.902 -30.548 -3.183 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 19.046 -31.230 -2.948 0.00 0.00 0.117 A ATOM 10 C UNL d 1 19.808 -31.079 -1.805 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.616 -30.840 2.617 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 21.620 -30.859 2.420 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 20.450 -29.884 2.967 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2