GV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C12 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N9 | sing | 1.35Å | 1.34Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| N9 | C3 | sing | 1.40Å | 1.36Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.49Å | Aromatic |
| C4 | C5 | doub | 1.34Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.49Å | |
| O7 | C6 | doub | 1.22Å | 1.25Å | |
| C6 | O8 | sing | 1.35Å | 1.25Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C12 | 120.8° | 120.0° |
| O11 | C10 | N9 | 124.1° | 119.9° |
| C12 | C10 | N9 | 115.1° | 120.0° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C10 | C12 | H12A | 109.5° | 109.5° |
| C10 | C12 | H12B | 109.5° | 109.5° |
| C10 | N9 | C3 | 122.8° | 120.0° |
| C10 | N9 | HN9 | 118.6° | 120.0° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.4° | 109.5° |
| C3 | N9 | HN9 | 118.6° | 120.0° |
| N9 | C3 | C4 | 132.1° | 123.5° |
| N9 | C3 | C2 | 115.3° | 123.5° |
| C4 | C3 | C2 | 112.6° | 113.0° |
| C3 | C4 | C5 | 115.1° | 115.1° |
| C3 | C4 | H4 | 122.5° | 122.5° |
| C3 | C2 | S1 | 107.3° | 109.0° |
| C3 | C2 | C6 | 131.5° | 125.5° |
| C5 | C4 | H4 | 122.5° | 122.5° |
| C4 | C5 | S1 | 109.1° | 111.2° |
| C4 | C5 | H5 | 125.4° | 124.3° |
| S1 | C5 | H5 | 125.5° | 124.4° |
| C5 | S1 | C2 | 95.9° | 91.7° |
| S1 | C2 | C6 | 121.2° | 125.5° |
| C2 | C6 | O7 | 119.4° | 120.0° |
| C2 | C6 | O8 | 119.4° | 120.0° |
| O7 | C6 | O8 | 121.2° | 120.0° |
| C6 | O8 | HO8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C12 | N9 | 179.4° | 179.8° |
| O11 | C10 | C12 | H12 | 91.6° | 90.1° |
| O11 | C10 | C12 | H12A | 148.4° | 150.0° |
| O11 | C10 | C12 | H12B | 28.4° | 30.0° |
| O11 | C10 | N9 | C3 | 8.7° | 5.5° |
| O11 | C10 | N9 | HN9 | 171.3° | 174.6° |
| C10 | C12 | H12 | H12A | 120.0° | 119.9° |
| C10 | C12 | H12 | H12B | 120.0° | 120.1° |
| C10 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C10 | N9 | C3 | 172.0° | 174.3° |
| C12 | C10 | N9 | HN9 | 8.0° | 5.6° |
| N9 | C10 | C12 | H12 | 89.0° | 89.7° |
| N9 | C10 | C12 | H12A | 31.0° | 30.2° |
| N9 | C10 | C12 | H12B | 151.0° | 150.2° |
| C10 | N9 | C3 | HN9 | 180.0° | 179.9° |
| C10 | N9 | C3 | C4 | 29.3° | 6.4° |
| C10 | N9 | C3 | C2 | 150.9° | 174.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| N9 | C3 | C4 | C2 | 179.8° | 179.7° |
| N9 | C3 | C4 | C5 | 180.0° | 180.0° |
| N9 | C3 | C4 | H4 | 0.0° | 0.1° |
| N9 | C3 | C2 | S1 | 179.8° | 179.9° |
| N9 | C3 | C2 | C6 | 0.2° | 0.0° |
| HN9 | N9 | C3 | C4 | 150.7° | 173.7° |
| HN9 | N9 | C3 | C2 | 29.1° | 5.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | S1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C3 | C2 | S1 | 0.0° | 0.4° |
| C4 | C3 | C2 | C6 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C4 | H4 | 179.8° | 179.8° |
| C3 | C2 | S1 | C5 | 0.2° | 0.3° |
| C3 | C2 | S1 | C6 | 180.0° | 179.9° |
| C3 | C2 | C6 | O7 | 6.3° | 0.1° |
| C3 | C2 | C6 | O8 | 173.8° | 180.0° |
| C4 | C5 | S1 | H5 | 180.0° | 179.9° |
| C4 | C5 | S1 | C2 | 0.3° | 0.2° |
| H4 | C4 | C5 | S1 | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.1° |
| C5 | S1 | C2 | C6 | 179.8° | 179.8° |
| H5 | C5 | S1 | C2 | 179.7° | 179.8° |
| S1 | C2 | C6 | O7 | 173.7° | 179.9° |
| S1 | C2 | C6 | O8 | 6.2° | 0.1° |
| C2 | C6 | O7 | O8 | 179.9° | 179.9° |
| C2 | C6 | O8 | HO8 | 180.0° | 180.0° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.0° |
