REMARK VINA RESULT: -3.7 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 -0.739 0.832 12.111 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -0.009 2.434 10.617 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -0.927 1.513 11.106 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.087 2.769 9.659 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.187 1.380 10.328 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.417 2.163 9.196 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.621 2.005 8.538 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.578 1.137 8.926 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.331 0.403 10.035 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -3.163 0.489 10.768 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.224 2.598 11.282 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.958 2.664 10.572 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.209 3.536 11.710 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2