REMARK VINA RESULT: -3.9 0.060 1.494 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 4.872 -3.382 13.062 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 4.128 -5.530 12.662 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.644 -4.299 12.277 0.00 0.00 0.265 C ATOM 4 H UNL d 1 3.711 -6.146 11.967 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.907 -4.133 10.823 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.131 -4.510 10.269 0.00 0.00 0.036 A ATOM 7 C UNL d 1 6.317 -4.302 8.916 0.00 0.00 0.117 A ATOM 8 N UNL d 1 5.382 -3.761 8.107 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 4.213 -3.393 8.677 0.00 0.00 0.117 A ATOM 10 C UNL d 1 3.929 -3.552 10.020 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 3.822 -5.756 14.020 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 3.034 -5.152 14.269 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 3.434 -6.709 14.083 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2