REMARK VINA RESULT: -4.8 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 -6.033 -1.262 4.828 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.863 -1.647 4.140 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -5.225 -1.470 3.927 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -3.288 -2.074 3.417 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.675 -1.554 2.513 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.337 -0.486 1.906 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.752 -0.644 0.598 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -6.548 -1.768 -0.121 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.917 -2.791 0.500 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.468 -2.736 1.805 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -3.361 -1.611 5.457 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -2.449 -1.146 5.433 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -3.958 -0.958 5.986 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2