REMARK VINA RESULT: -4.3 1.972 2.546 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 9.982 -14.240 3.230 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.961 -15.932 2.036 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.391 -15.317 3.205 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.724 -16.922 2.041 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.100 -16.048 4.467 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.985 -15.998 5.545 0.00 0.00 0.036 A ATOM 7 C UNL d 1 9.664 -16.724 6.676 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.546 -17.470 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.717 -17.510 5.726 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.948 -16.827 4.548 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.225 -15.317 0.795 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.854 -14.527 0.964 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.799 -15.978 0.251 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2