REMARK VINA RESULT: -4.2 2.365 4.122 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 8.717 -8.876 -3.484 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.729 -6.668 -4.158 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 8.220 -7.753 -3.456 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.148 -5.848 -4.317 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.001 -7.486 -2.647 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.890 -6.326 -1.879 0.00 0.00 0.036 A ATOM 7 C UNL d 1 5.741 -6.157 -1.131 0.00 0.00 0.117 A ATOM 8 N UNL d 1 4.726 -7.046 -1.108 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 4.870 -8.166 -1.852 0.00 0.00 0.117 A ATOM 10 C UNL d 1 5.980 -8.433 -2.629 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.867 -6.846 -4.973 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.840 -7.798 -5.347 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.735 -6.249 -5.803 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2