1AL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C1 | N3 | sing | 1.35Å | 1.32Å | |
| C1 | N4 | sing | 1.35Å | 1.38Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| N4 | C8 | sing | 1.47Å | 1.36Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | O6 | sing | 1.27Å | 1.26Å | |
| C5 | O7 | doub | 1.28Å | 1.25Å | |
| C5 | C8 | sing | 1.51Å | 1.58Å | |
| C8 | N12 | sing | 1.46Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | O10 | doub | 1.22Å | 1.24Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| C9 | N12 | sing | 1.35Å | 1.40Å | |
| N11 | H111 | sing | 0.97Å | 1.02Å | |
| N11 | H112 | sing | 0.97Å | 1.02Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N3 | 123.1° | 120.0° |
| O2 | C1 | N4 | 115.0° | 120.0° |
| N3 | C1 | N4 | 121.9° | 120.0° |
| C1 | N3 | HN31 | 107.4° | 120.0° |
| C1 | N3 | HN32 | 123.1° | 120.0° |
| C1 | N4 | C8 | 120.2° | 120.0° |
| C1 | N4 | HN4 | 120.5° | 120.0° |
| HN31 | N3 | HN32 | 107.4° | 119.9° |
| C8 | N4 | HN4 | 119.4° | 120.0° |
| N4 | C8 | C5 | 108.1° | 109.5° |
| N4 | C8 | N12 | 109.2° | 109.4° |
| N4 | C8 | H8 | 114.3° | 109.4° |
| O6 | C5 | O7 | 117.5° | 120.0° |
| O6 | C5 | C8 | 124.0° | 120.0° |
| O7 | C5 | C8 | 118.5° | 120.0° |
| C5 | C8 | N12 | 118.4° | 109.5° |
| C5 | C8 | H8 | 104.1° | 109.5° |
| N12 | C8 | H8 | 102.9° | 109.5° |
| C8 | N12 | C9 | 130.5° | 120.0° |
| C8 | N12 | H12 | 120.6° | 120.0° |
| O10 | C9 | N11 | 122.3° | 120.0° |
| O10 | C9 | N12 | 111.6° | 120.0° |
| N11 | C9 | N12 | 126.1° | 120.0° |
| C9 | N11 | H111 | 107.6° | 120.0° |
| C9 | N11 | H112 | 122.3° | 120.0° |
| C9 | N12 | H12 | 108.9° | 120.0° |
| H111 | N11 | H112 | 107.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N3 | N4 | 178.2° | 179.9° |
| O2 | C1 | N3 | HN31 | 54.7° | 0.1° |
| O2 | C1 | N3 | HN32 | 180.0° | 179.8° |
| O2 | C1 | N4 | C8 | 126.8° | 0.1° |
| O2 | C1 | N4 | HN4 | 53.2° | 179.9° |
| C1 | N3 | HN31 | HN32 | 134.2° | 179.7° |
| N3 | C1 | N4 | C8 | 51.6° | 180.0° |
| N3 | C1 | N4 | HN4 | 128.5° | 0.0° |
| N4 | C1 | N3 | HN31 | 123.4° | 180.0° |
| N4 | C1 | N3 | HN32 | 1.8° | 0.3° |
| C1 | N4 | C8 | HN4 | 180.0° | 180.0° |
| C1 | N4 | C8 | C5 | 90.4° | 135.0° |
| C1 | N4 | C8 | N12 | 139.5° | 105.0° |
| C1 | N4 | C8 | H8 | 24.9° | 14.9° |
| N4 | C8 | C5 | O6 | 123.1° | 75.0° |
| N4 | C8 | C5 | O7 | 58.3° | 105.0° |
| N4 | C8 | C5 | N12 | 124.7° | 120.0° |
| N4 | C8 | C5 | H8 | 121.9° | 120.0° |
| N4 | C8 | N12 | H8 | 121.8° | 119.9° |
| N4 | C8 | N12 | C9 | 111.4° | 105.0° |
| N4 | C8 | N12 | H12 | 68.6° | 75.1° |
| HN4 | N4 | C8 | C5 | 89.6° | 45.0° |
| HN4 | N4 | C8 | N12 | 40.5° | 75.0° |
| HN4 | N4 | C8 | H8 | 155.0° | 165.0° |
| O6 | C5 | O7 | C8 | 178.6° | 180.0° |
| O6 | C5 | C8 | N12 | 1.5° | 45.0° |
| O6 | C5 | C8 | H8 | 115.0° | 165.0° |
| O7 | C5 | C8 | N12 | 177.0° | 135.0° |
| O7 | C5 | C8 | H8 | 63.6° | 14.9° |
| C5 | C8 | N12 | H8 | 114.1° | 120.1° |
| C5 | C8 | N12 | C9 | 12.8° | 135.0° |
| C5 | C8 | N12 | H12 | 167.2° | 44.9° |
| C8 | N12 | C9 | O10 | 176.0° | 0.1° |
| C8 | N12 | C9 | N11 | 6.6° | 180.0° |
| C8 | N12 | C9 | H12 | 180.0° | 179.9° |
| H8 | C8 | N12 | C9 | 126.9° | 14.9° |
| H8 | C8 | N12 | H12 | 53.2° | 165.0° |
| O10 | C9 | N11 | N12 | 177.2° | 179.9° |
| O10 | C9 | N11 | H111 | 54.8° | 180.0° |
| O10 | C9 | N11 | H112 | 180.0° | 0.1° |
| O10 | C9 | N12 | H12 | 4.0° | 180.0° |
| C9 | N11 | H111 | H112 | 133.6° | 179.9° |
| N11 | C9 | N12 | H12 | 173.4° | 0.1° |
| N12 | C9 | N11 | H111 | 122.4° | 0.1° |
| N12 | C9 | N11 | H112 | 2.8° | 180.0° |
