REMARK VINA RESULT: -4.3 2.254 4.139 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 11.013 -13.257 5.306 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.848 -12.838 5.987 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.816 -13.528 5.269 0.00 0.00 0.265 C ATOM 4 H UNL d 1 7.868 -12.919 5.725 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.320 -14.644 4.420 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.678 -15.745 4.987 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.268 -16.757 4.140 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.450 -16.734 2.804 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.088 -15.660 2.287 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.543 -14.599 3.046 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.234 -11.747 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.390 -11.359 7.223 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.761 -12.137 7.589 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2