REMARK VINA RESULT: -5.1 0.065 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 5.418 -7.019 -3.132 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 7.283 -6.403 -1.918 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 6.615 -7.144 -2.885 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.185 -6.719 -1.570 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 7.441 -8.132 -3.628 0.00 0.00 0.036 A ATOM 6 C UNL d 1 7.711 -9.391 -3.088 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.507 -10.248 -3.822 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.031 -9.937 -5.026 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.763 -8.705 -5.515 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.984 -7.772 -4.859 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 6.563 -5.465 -1.149 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 5.567 -5.596 -1.345 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 6.661 -5.750 -0.163 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2