A1IIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | N7 | sing | 1.21Å | 1.40Å | |
| O8 | C3 | sing | 1.34Å | 1.37Å | |
| N7 | C5 | sing | 1.35Å | 1.35Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | C4 | doub | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.42Å | 1.44Å | |
| C5 | O6 | doub | 1.22Å | 1.24Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | O8 | C3 | 105.5° | 112.1° |
| O8 | N7 | C5 | 110.3° | 110.6° |
| O8 | N7 | H7 | 124.8° | 124.7° |
| O8 | C3 | C2 | 116.2° | 126.3° |
| O8 | C3 | C4 | 110.9° | 107.5° |
| N7 | C5 | C4 | 105.7° | 105.7° |
| N7 | C5 | O6 | 126.0° | 127.2° |
| C5 | N7 | H7 | 124.8° | 124.7° |
| N1 | C2 | C3 | 111.6° | 109.5° |
| N1 | C2 | H1 | 108.9° | 109.4° |
| N1 | C2 | H2 | 108.9° | 109.5° |
| C2 | N1 | H4 | 109.5° | 111.0° |
| C2 | N1 | H5 | 109.4° | 110.9° |
| C2 | C3 | C4 | 132.8° | 126.3° |
| C3 | C2 | H1 | 108.9° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C3 | C4 | C5 | 107.5° | 104.2° |
| C3 | C4 | H3 | 126.2° | 127.9° |
| C4 | C5 | O6 | 128.3° | 127.2° |
| C5 | C4 | H3 | 126.2° | 128.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H4 | N1 | H5 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | N7 | C5 | H7 | 180.0° | 179.9° |
| N7 | O8 | C3 | C2 | 179.8° | 179.9° |
| N7 | O8 | C3 | C4 | 0.0° | 0.4° |
| O8 | N7 | C5 | C4 | 0.1° | 0.0° |
| O8 | N7 | C5 | O6 | 179.7° | 179.8° |
| C3 | O8 | N7 | C5 | 0.0° | 0.3° |
| O8 | C3 | C2 | N1 | 52.3° | 64.6° |
| O8 | C3 | C2 | C4 | 179.8° | 179.6° |
| O8 | C3 | C4 | C5 | 0.1° | 0.3° |
| O8 | C3 | C2 | H1 | 68.0° | 55.4° |
| O8 | C3 | C2 | H2 | 172.6° | 175.4° |
| O8 | C3 | C4 | H3 | 179.9° | 179.7° |
| C3 | O8 | N7 | H7 | 180.0° | 179.8° |
| N7 | C5 | C4 | C3 | 0.1° | 0.2° |
| N7 | C5 | C4 | O6 | 179.8° | 179.8° |
| N7 | C5 | C4 | H3 | 179.9° | 179.8° |
| N1 | C2 | C3 | H1 | 120.3° | 120.0° |
| N1 | C2 | C3 | H2 | 120.3° | 120.0° |
| N1 | C2 | C3 | C4 | 127.9° | 115.1° |
| N1 | C2 | H1 | H2 | 119.0° | 120.0° |
| C2 | N1 | H4 | H5 | 120.0° | 123.9° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | C2 | H1 | H2 | 119.1° | 120.0° |
| C2 | C3 | C4 | H3 | 0.3° | 0.0° |
| C3 | C2 | N1 | H4 | 180.0° | 56.0° |
| C3 | C2 | N1 | H5 | 60.0° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | O6 | 179.7° | 180.0° |
| C4 | C3 | C2 | H1 | 111.8° | 125.0° |
| C4 | C3 | C2 | H2 | 7.6° | 5.0° |
| C4 | C5 | N7 | H7 | 179.9° | 179.9° |
| O6 | C5 | C4 | H3 | 0.3° | 0.0° |
| O6 | C5 | N7 | H7 | 0.2° | 0.1° |
| H1 | C2 | N1 | H4 | 59.7° | 64.0° |
| H1 | C2 | N1 | H5 | 60.3° | 60.0° |
| H2 | C2 | N1 | H4 | 59.6° | 176.1° |
| H2 | C2 | N1 | H5 | 179.7° | 60.0° |
