REMARK VINA RESULT: -4.5 2.156 2.668 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 -3.714 -5.443 7.921 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -3.130 -3.224 7.668 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -2.944 -4.589 7.489 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -2.350 -2.583 7.533 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -1.726 -4.983 6.733 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -1.024 -4.051 5.967 0.00 0.00 0.036 A ATOM 7 C UNL d 1 0.082 -4.494 5.269 0.00 0.00 0.117 A ATOM 8 N UNL d 1 0.520 -5.770 5.292 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -0.190 -6.652 6.031 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -1.313 -6.313 6.761 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -4.246 -2.769 8.400 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -4.889 -2.317 7.745 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -4.759 -3.608 8.712 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2