REMARK VINA RESULT: -3.0 2.785 3.539 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 3.744 -3.941 8.267 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 4.229 -2.924 10.282 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.522 -3.738 9.195 0.00 0.00 0.265 C ATOM 4 H UNL d 1 4.779 -2.998 11.135 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.863 -4.381 9.212 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.612 -4.449 10.387 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.861 -5.035 10.323 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.389 -5.546 9.191 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.646 -5.452 8.066 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.389 -4.880 8.022 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 2.965 -2.302 10.356 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 2.581 -2.256 9.408 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 2.338 -2.958 10.846 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2