REMARK VINA RESULT: -4.6 1.502 4.324 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 -2.164 -2.698 7.189 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -0.914 -4.088 5.835 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -1.926 -3.819 6.748 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -0.586 -5.043 5.708 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -2.729 -4.991 7.188 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.549 -4.915 8.315 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.246 -6.051 8.681 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.179 -7.218 8.009 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -3.365 -7.264 6.930 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -2.622 -6.188 6.484 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -0.087 -3.035 5.391 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 0.192 -3.239 4.428 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -0.688 -2.202 5.304 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2