REMARK VINA RESULT: -4.4 1.895 2.173 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 12.002 1.182 -10.809 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.676 2.367 -12.281 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 11.602 2.256 -11.251 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.184 3.246 -12.429 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 12.098 3.538 -10.685 0.00 0.00 0.036 A ATOM 6 C UNL d 1 13.089 3.552 -9.703 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.482 4.779 -9.203 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.965 5.955 -9.614 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 11.997 5.907 -10.556 0.00 0.00 0.117 A ATOM 10 C UNL d 1 11.529 4.734 -11.116 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.135 1.196 -12.851 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.686 1.455 -13.734 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.933 0.611 -13.143 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2