REMARK VINA RESULT: -2.9 1.908 4.306 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 16.338 45.136 26.398 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.648 45.345 24.840 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 15.364 44.665 25.817 0.00 0.00 0.265 C ATOM 4 H UNL d 1 14.034 44.832 24.212 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 14.886 43.293 26.133 0.00 0.00 0.036 A ATOM 6 C UNL d 1 15.008 42.259 25.203 0.00 0.00 0.036 A ATOM 7 C UNL d 1 14.517 41.016 25.554 0.00 0.00 0.117 A ATOM 8 N UNL d 1 13.935 40.750 26.741 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 13.818 41.776 27.615 0.00 0.00 0.117 A ATOM 10 C UNL d 1 14.270 43.056 27.360 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 15.056 46.641 24.463 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 15.881 46.885 25.018 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 15.419 46.570 23.500 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2