A1IHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.30Å | |
| C2 | N3 | doub | 1.30Å | 1.28Å | |
| C2 | C4 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.32Å | 1.34Å | Aromatic |
| N8 | C9 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | S10 | sing | 1.76Å | 1.78Å | |
| C9 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | H1A | sing | 0.97Å | 1.00Å | |
| N1 | H1B | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| S10 | H10 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 119.5° | 120.0° |
| N1 | C2 | C4 | 118.4° | 120.0° |
| C2 | N1 | H1A | 120.0° | 120.0° |
| C2 | N1 | H1B | 120.0° | 120.0° |
| N3 | C2 | C4 | 122.1° | 120.0° |
| C2 | N3 | H3 | 112.0° | 120.0° |
| C2 | C4 | C5 | 118.3° | 120.6° |
| C2 | C4 | C9 | 123.6° | 120.6° |
| C4 | C5 | C6 | 119.3° | 118.4° |
| C5 | C4 | C9 | 117.9° | 118.8° |
| C4 | C5 | H5 | 120.4° | 120.8° |
| C5 | C6 | C7 | 118.1° | 119.5° |
| C6 | C5 | H5 | 120.3° | 120.8° |
| C5 | C6 | H6 | 120.9° | 120.2° |
| C6 | C7 | N8 | 123.9° | 121.2° |
| C7 | C6 | H6 | 120.9° | 120.3° |
| C6 | C7 | H7 | 118.1° | 119.4° |
| C7 | N8 | C9 | 117.2° | 121.7° |
| N8 | C7 | H7 | 118.1° | 119.4° |
| N8 | C9 | S10 | 114.4° | 119.8° |
| N8 | C9 | C4 | 123.6° | 120.4° |
| S10 | C9 | C4 | 122.0° | 119.8° |
| C9 | S10 | H10 | 102.0° | 100.0° |
| H1A | N1 | H1B | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | C4 | 179.3° | 180.0° |
| N1 | C2 | C4 | C5 | 119.8° | 124.1° |
| N1 | C2 | C4 | C9 | 55.0° | 55.7° |
| C2 | N1 | H1A | H1B | 179.9° | 179.7° |
| N1 | C2 | N3 | H3 | 179.3° | 174.9° |
| N3 | C2 | C4 | C5 | 60.9° | 55.9° |
| N3 | C2 | C4 | C9 | 124.3° | 124.3° |
| N3 | C2 | N1 | H1A | 179.3° | 0.0° |
| N3 | C2 | N1 | H1B | 0.7° | 179.8° |
| C2 | C4 | C5 | C9 | 175.1° | 179.8° |
| C2 | C4 | C5 | C6 | 174.8° | 180.0° |
| C2 | C4 | C9 | N8 | 174.6° | 179.7° |
| C2 | C4 | C9 | S10 | 8.2° | 0.1° |
| C4 | C2 | N1 | H1A | 0.0° | 180.0° |
| C4 | C2 | N1 | H1B | 180.0° | 0.3° |
| C2 | C4 | C5 | H5 | 5.2° | 0.0° |
| C4 | C2 | N3 | H3 | 0.0° | 5.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | N8 | 0.2° | 0.5° |
| C5 | C4 | C9 | S10 | 177.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N8 | 0.3° | 0.0° |
| C6 | C5 | C4 | C9 | 0.3° | 0.2° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C5 | H5 | 179.6° | 180.0° |
| C7 | N8 | C9 | S10 | 177.2° | 179.7° |
| C7 | N8 | C9 | C4 | 0.2° | 0.5° |
| N8 | C7 | C6 | H6 | 179.7° | 180.0° |
| N8 | C9 | S10 | C4 | 177.4° | 179.8° |
| C9 | N8 | C7 | H7 | 179.8° | 179.7° |
| N8 | C9 | S10 | H10 | 0.0° | 89.8° |
| C9 | C4 | C5 | H5 | 179.7° | 179.8° |
| C4 | C9 | S10 | H10 | 177.4° | 90.1° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.0° |
