GVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C7 | sing | 1.51Å | 1.51Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | N1 | sing | 1.35Å | 1.36Å | |
| C4 | N1 | sing | 1.40Å | 1.42Å | |
| C4 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.35Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.4° | 109.5° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C1 | C2 | H11 | 108.7° | 109.5° |
| C1 | C2 | H12 | 108.7° | 109.5° |
| C5 | C6 | C7 | 121.8° | 120.1° |
| C6 | C5 | C4 | 119.7° | 120.0° |
| C6 | C5 | H2 | 120.1° | 120.0° |
| C5 | C6 | H3 | 119.1° | 119.9° |
| C6 | C7 | C10 | 120.8° | 119.9° |
| C6 | C7 | C8 | 118.5° | 120.2° |
| C7 | C6 | H3 | 119.1° | 120.0° |
| C5 | C4 | N1 | 121.4° | 120.1° |
| C5 | C4 | C9 | 119.7° | 119.8° |
| C4 | C5 | H2 | 120.1° | 120.0° |
| C10 | C7 | C8 | 120.6° | 119.9° |
| C7 | C10 | H5 | 109.5° | 109.5° |
| C7 | C10 | H6 | 109.5° | 109.5° |
| C7 | C10 | H7 | 109.5° | 109.5° |
| O1 | C3 | C2 | 122.2° | 120.1° |
| O1 | C3 | N1 | 122.1° | 120.0° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H4 | 119.7° | 120.0° |
| C2 | C3 | N1 | 115.7° | 120.0° |
| C3 | C2 | H11 | 108.7° | 109.5° |
| C3 | C2 | H12 | 108.7° | 109.4° |
| C3 | N1 | C4 | 126.1° | 120.0° |
| C3 | N1 | H1 | 116.9° | 120.0° |
| N1 | C4 | C9 | 118.8° | 120.1° |
| C4 | N1 | H1 | 116.9° | 120.0° |
| C4 | C9 | C8 | 119.5° | 119.8° |
| C4 | C9 | O2 | 120.5° | 120.1° |
| C8 | C9 | O2 | 120.0° | 120.1° |
| C9 | C8 | H4 | 119.7° | 120.0° |
| C9 | O2 | H13 | 109.5° | 114.0° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.6° |
| H11 | C2 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O1 | 57.0° | 0.0° |
| C1 | C2 | C3 | H11 | 120.4° | 120.0° |
| C1 | C2 | C3 | H12 | 120.5° | 120.0° |
| C1 | C2 | C3 | N1 | 122.2° | 179.9° |
| C2 | C1 | H8 | H9 | 120.0° | 119.9° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.1° |
| C1 | C2 | H11 | H12 | 118.6° | 120.1° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C10 | 178.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C6 | C5 | C4 | N1 | 177.5° | 180.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.3° |
| C7 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | C7 | C10 | C8 | 179.1° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C5 | H2 | 179.6° | 180.0° |
| C6 | C7 | C8 | H4 | 179.8° | 179.9° |
| C6 | C7 | C10 | H5 | 90.5° | 90.0° |
| C6 | C7 | C10 | H6 | 149.5° | 150.0° |
| C6 | C7 | C10 | H7 | 29.5° | 29.9° |
| C5 | C4 | N1 | C3 | 111.2° | 24.8° |
| C5 | C4 | N1 | C9 | 177.4° | 179.7° |
| C5 | C4 | C9 | C8 | 0.6° | 0.6° |
| C5 | C4 | C9 | O2 | 179.6° | 179.7° |
| C5 | C4 | N1 | H1 | 68.8° | 155.5° |
| C4 | C5 | C6 | H3 | 179.6° | 180.0° |
| C10 | C7 | C8 | C9 | 179.3° | 179.8° |
| C10 | C7 | C6 | H3 | 1.2° | 0.0° |
| C10 | C7 | C8 | H4 | 0.7° | 0.0° |
| C7 | C10 | H5 | H6 | 120.0° | 120.0° |
| C7 | C10 | H5 | H7 | 120.0° | 120.0° |
| C7 | C10 | H6 | H7 | 120.0° | 120.1° |
| O1 | C3 | C2 | N1 | 179.2° | 179.9° |
| O1 | C3 | N1 | C4 | 4.5° | 5.3° |
| O1 | C3 | N1 | H1 | 175.5° | 174.3° |
| O1 | C3 | C2 | H11 | 63.5° | 120.0° |
| O1 | C3 | C2 | H12 | 177.4° | 120.0° |
| C7 | C8 | C9 | C4 | 0.7° | 0.6° |
| C7 | C8 | C9 | H4 | 180.0° | 179.7° |
| C7 | C8 | C9 | O2 | 179.6° | 179.7° |
| C8 | C7 | C6 | H3 | 179.6° | 180.0° |
| C8 | C7 | C10 | H5 | 90.4° | 90.1° |
| C8 | C7 | C10 | H6 | 29.6° | 29.9° |
| C8 | C7 | C10 | H7 | 149.6° | 150.0° |
| C2 | C3 | N1 | C4 | 174.7° | 174.6° |
| C2 | C3 | N1 | H1 | 5.3° | 5.8° |
| C3 | C2 | C1 | H8 | 180.0° | 60.0° |
| C3 | C2 | C1 | H9 | 60.0° | 179.9° |
| C3 | C2 | C1 | H10 | 60.0° | 60.0° |
| C3 | C2 | H11 | H12 | 118.6° | 120.0° |
| C3 | N1 | C4 | H1 | 180.0° | 179.6° |
| C3 | N1 | C4 | C9 | 66.2° | 155.5° |
| N1 | C3 | C2 | H11 | 117.3° | 60.0° |
| N1 | C3 | C2 | H12 | 1.8° | 60.1° |
| N1 | C4 | C9 | C8 | 178.1° | 179.8° |
| N1 | C4 | C9 | O2 | 3.0° | 0.1° |
| N1 | C4 | C5 | H2 | 2.5° | 0.1° |
| C4 | C9 | C8 | O2 | 179.0° | 179.7° |
| C9 | C4 | N1 | H1 | 113.8° | 24.1° |
| C9 | C4 | C5 | H2 | 179.9° | 179.7° |
| C4 | C9 | C8 | H4 | 179.3° | 179.7° |
| C4 | C9 | O2 | H13 | 180.0° | 90.0° |
| C8 | C9 | O2 | H13 | 1.1° | 89.7° |
| O2 | C9 | C8 | H4 | 0.4° | 0.0° |
| H2 | C5 | C6 | H3 | 0.4° | 0.0° |
| H5 | C10 | H6 | H7 | 120.0° | 119.9° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H8 | C1 | C2 | H11 | 59.6° | 180.0° |
| H8 | C1 | C2 | H12 | 59.5° | 59.9° |
| H9 | C1 | C2 | H11 | 60.4° | 60.1° |
| H9 | C1 | C2 | H12 | 179.5° | 60.0° |
| H10 | C1 | C2 | H11 | 179.6° | 60.0° |
| H10 | C1 | C2 | H12 | 60.5° | 179.9° |
