GOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.51Å | 1.46Å | |
| C3 | N | sing | 1.47Å | 1.54Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| O2 | C1 | sing | 1.43Å | 1.40Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.56Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | O | sing | 1.37Å | 1.35Å | |
| C7 | O1 | sing | 1.37Å | 1.32Å | |
| O | C10 | sing | 1.44Å | 1.43Å | |
| O1 | C10 | sing | 1.44Å | 1.42Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | N | 104.5° | 109.5° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | C9 | 116.8° | 119.9° |
| C4 | C3 | H12 | 110.7° | 109.5° |
| C4 | C3 | H13 | 110.7° | 109.4° |
| C3 | N | C2 | 114.5° | 111.1° |
| C3 | N | H4 | 108.2° | 111.0° |
| N | C3 | H12 | 110.7° | 109.5° |
| N | C3 | H13 | 110.7° | 109.4° |
| C5 | C4 | C9 | 123.1° | 120.2° |
| C4 | C5 | C6 | 121.8° | 120.1° |
| C4 | C5 | H1 | 119.1° | 120.0° |
| C4 | C9 | C8 | 115.1° | 120.0° |
| C4 | C9 | H14 | 122.4° | 120.0° |
| C | C1 | O2 | 115.6° | 109.5° |
| C | C1 | C2 | 113.5° | 109.5° |
| C1 | C | H6 | 109.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.4° |
| C1 | C | H8 | 109.4° | 109.4° |
| C | C1 | H9 | 106.9° | 109.5° |
| C5 | C6 | C7 | 115.1° | 120.1° |
| C6 | C5 | H1 | 119.1° | 119.9° |
| C5 | C6 | H2 | 122.4° | 120.0° |
| O2 | C1 | C2 | 105.5° | 109.5° |
| O2 | C1 | H9 | 108.4° | 109.4° |
| C1 | O2 | H15 | 109.5° | 114.0° |
| C9 | C8 | C7 | 122.3° | 119.9° |
| C9 | C8 | O | 127.8° | 131.5° |
| C8 | C9 | H14 | 122.5° | 120.0° |
| N | C2 | C1 | 116.7° | 109.5° |
| C2 | N | H4 | 108.2° | 111.0° |
| N | C2 | H10 | 107.6° | 109.5° |
| N | C2 | H11 | 107.7° | 109.5° |
| C6 | C7 | C8 | 122.6° | 119.8° |
| C6 | C7 | O1 | 128.0° | 131.6° |
| C7 | C6 | H2 | 122.4° | 120.0° |
| C2 | C1 | H9 | 106.5° | 109.5° |
| C1 | C2 | H10 | 107.7° | 109.5° |
| C1 | C2 | H11 | 107.6° | 109.5° |
| C7 | C8 | O | 109.9° | 108.6° |
| C8 | C7 | O1 | 109.3° | 108.7° |
| C8 | O | C10 | 105.4° | 105.5° |
| C7 | O1 | C10 | 107.3° | 105.5° |
| O | C10 | O1 | 108.0° | 103.7° |
| O | C10 | H3 | 109.8° | 110.6° |
| O | C10 | H16 | 109.8° | 110.6° |
| O1 | C10 | H3 | 109.8° | 110.5° |
| O1 | C10 | H16 | 109.8° | 110.7° |
| H3 | C10 | H16 | 109.5° | 110.6° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.4° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.4° |
| H12 | C3 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | N | H12 | 119.2° | 120.0° |
| C4 | C3 | N | H13 | 119.2° | 119.9° |
| C3 | C4 | C5 | C9 | 177.9° | 179.7° |
| C3 | C4 | C5 | C6 | 178.5° | 179.7° |
| C3 | C4 | C9 | C8 | 178.1° | 179.7° |
| C4 | C3 | N | C2 | 75.7° | 180.0° |
| C3 | C4 | C5 | H1 | 1.5° | 0.3° |
| C4 | C3 | N | H4 | 163.6° | 56.0° |
| C4 | C3 | H12 | H13 | 122.3° | 120.0° |
| C3 | C4 | C9 | H14 | 1.9° | 0.3° |
| N | C3 | C4 | C5 | 102.5° | 89.9° |
| N | C3 | C4 | C9 | 75.5° | 89.7° |
| C3 | N | C2 | H4 | 120.7° | 124.0° |
| C3 | N | C2 | C1 | 75.7° | 180.0° |
| C3 | N | C2 | H10 | 163.2° | 59.9° |
| C3 | N | C2 | H11 | 45.3° | 60.0° |
| N | C3 | H12 | H13 | 122.3° | 119.9° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 0.1° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | H12 | 16.7° | 150.0° |
| C5 | C4 | C3 | H13 | 138.3° | 30.0° |
| C5 | C4 | C9 | H14 | 179.9° | 180.0° |
| C9 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C9 | C8 | H14 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.7° | 0.0° |
| C4 | C9 | C8 | O | 179.5° | 180.0° |
| C9 | C4 | C5 | H1 | 179.5° | 180.0° |
| C9 | C4 | C3 | H12 | 165.3° | 30.3° |
| C9 | C4 | C3 | H13 | 43.6° | 150.3° |
| C | C1 | O2 | C2 | 126.3° | 120.0° |
| C | C1 | O2 | H9 | 119.9° | 120.0° |
| C | C1 | C2 | N | 28.2° | 175.0° |
| C | C1 | C2 | H9 | 117.3° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 119.9° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C | C1 | C2 | H10 | 92.8° | 65.0° |
| C | C1 | C2 | H11 | 149.2° | 55.0° |
| C | C1 | O2 | H15 | 180.0° | 60.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | O1 | 176.2° | 179.9° |
| O2 | C1 | C2 | N | 99.4° | 65.0° |
| O2 | C1 | C2 | H9 | 115.1° | 120.0° |
| O2 | C1 | C | H6 | 180.0° | 180.0° |
| O2 | C1 | C | H7 | 60.0° | 60.0° |
| O2 | C1 | C | H8 | 60.0° | 60.0° |
| O2 | C1 | C2 | H10 | 139.6° | 55.0° |
| O2 | C1 | C2 | H11 | 21.6° | 175.0° |
| C9 | C8 | C7 | C6 | 1.1° | 0.0° |
| C9 | C8 | C7 | O | 179.8° | 180.0° |
| C9 | C8 | C7 | O1 | 176.3° | 179.9° |
| C9 | C8 | O | C10 | 178.0° | 162.7° |
| N | C2 | C1 | H10 | 121.0° | 120.0° |
| N | C2 | C1 | H11 | 121.1° | 120.0° |
| N | C2 | C1 | H9 | 145.5° | 55.0° |
| N | C2 | H10 | H11 | 116.7° | 120.0° |
| C2 | N | C3 | H12 | 43.5° | 60.0° |
| C2 | N | C3 | H13 | 165.1° | 60.0° |
| C6 | C7 | C8 | O1 | 177.4° | 179.9° |
| C6 | C7 | C8 | O | 179.1° | 180.0° |
| C6 | C7 | O1 | C10 | 179.2° | 162.7° |
| C7 | C6 | C5 | H1 | 179.9° | 180.0° |
| C1 | C2 | N | H4 | 45.0° | 56.0° |
| C2 | C1 | C | H6 | 57.8° | 60.0° |
| C2 | C1 | C | H7 | 177.8° | 180.0° |
| C2 | C1 | C | H8 | 62.2° | 60.0° |
| C1 | C2 | H10 | H11 | 116.7° | 120.0° |
| C2 | C1 | O2 | H15 | 53.7° | 180.0° |
| C7 | C8 | O | C10 | 1.8° | 17.3° |
| C8 | C7 | O1 | C10 | 3.6° | 17.3° |
| C8 | C7 | C6 | H2 | 179.4° | 180.0° |
| C7 | C8 | C9 | H14 | 179.3° | 180.0° |
| O | C8 | C7 | O1 | 3.5° | 0.0° |
| C8 | O | C10 | O1 | 0.3° | 27.1° |
| C8 | O | C10 | H3 | 119.4° | 145.7° |
| O | C8 | C9 | H14 | 0.5° | 0.0° |
| C8 | O | C10 | H16 | 120.1° | 91.5° |
| C7 | O1 | C10 | O | 2.5° | 27.1° |
| O1 | C7 | C6 | H2 | 3.7° | 0.1° |
| C7 | O1 | C10 | H3 | 117.3° | 145.6° |
| C7 | O1 | C10 | H16 | 122.3° | 91.5° |
| O | C10 | O1 | H3 | 119.8° | 118.5° |
| O | C10 | O1 | H16 | 119.8° | 118.6° |
| O | C10 | H3 | H16 | 120.7° | 122.8° |
| O1 | C10 | H3 | H16 | 120.6° | 122.9° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H4 | N | C2 | H10 | 76.0° | 176.0° |
| H4 | N | C2 | H11 | 166.1° | 64.0° |
| H4 | N | C3 | H12 | 77.2° | 176.0° |
| H4 | N | C3 | H13 | 44.3° | 64.0° |
| H6 | C | H7 | H8 | 120.0° | 120.1° |
| H6 | C | C1 | H9 | 59.2° | 60.0° |
| H7 | C | C1 | H9 | 60.8° | 60.0° |
| H8 | C | C1 | H9 | 179.2° | 180.0° |
| H9 | C1 | C2 | H10 | 24.4° | 175.0° |
| H9 | C1 | C2 | H11 | 93.5° | 65.0° |
| H9 | C1 | O2 | H15 | 60.1° | 60.0° |
