REMARK VINA RESULT: -3.9 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 20.933 -29.053 0.503 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 19.929 -30.933 1.391 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 20.150 -29.993 0.392 0.00 0.00 0.265 C ATOM 4 H UNL d 1 19.097 -31.519 1.362 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 19.363 -30.177 -0.856 0.00 0.00 0.036 A ATOM 6 C UNL d 1 19.806 -31.035 -1.863 0.00 0.00 0.036 A ATOM 7 C UNL d 1 19.037 -31.136 -3.007 0.00 0.00 0.117 A ATOM 8 N UNL d 1 17.887 -30.457 -3.198 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 17.492 -29.623 -2.210 0.00 0.00 0.117 A ATOM 10 C UNL d 1 18.190 -29.445 -1.031 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 20.615 -30.811 2.617 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 21.220 -31.631 2.722 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 21.278 -30.027 2.510 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2