REMARK VINA RESULT: -2.9 1.899 4.178 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 16.358 45.109 26.375 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.606 45.372 24.896 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 15.341 44.672 25.844 0.00 0.00 0.265 C ATOM 4 H UNL d 1 13.945 44.878 24.300 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 14.829 43.320 26.192 0.00 0.00 0.036 A ATOM 6 C UNL d 1 14.273 43.065 27.446 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.843 41.779 27.710 0.00 0.00 0.117 A ATOM 8 N UNL d 1 13.926 40.765 26.823 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 14.483 41.041 25.622 0.00 0.00 0.117 A ATOM 10 C UNL d 1 14.949 42.290 25.262 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 15.043 46.650 24.490 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 15.836 46.913 25.081 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 15.459 46.538 23.553 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2