5V0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| N | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| O | C6 | doub | 1.21Å | 1.31Å | |
| C6 | O1 | sing | 1.35Å | 1.21Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | O2 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.36Å | Aromatic |
| O2 | C11 | sing | 1.34Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.33Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | N | 123.1° | 120.9° |
| C5 | C4 | C3 | 118.8° | 119.0° |
| C5 | C4 | H3 | 120.6° | 120.4° |
| C4 | C5 | H4 | 118.5° | 119.6° |
| C5 | N | C1 | 118.4° | 122.0° |
| N | C5 | H4 | 118.4° | 119.5° |
| C4 | C3 | C6 | 120.3° | 120.9° |
| C4 | C3 | C2 | 118.9° | 118.1° |
| C3 | C4 | H3 | 120.6° | 120.5° |
| N | C1 | C2 | 121.6° | 120.9° |
| N | C1 | C | 115.3° | 119.5° |
| C6 | C3 | C2 | 120.7° | 120.9° |
| C3 | C6 | O | 114.6° | 120.0° |
| C3 | C6 | O1 | 121.1° | 120.0° |
| C3 | C2 | C1 | 119.1° | 119.0° |
| C3 | C2 | H9 | 120.4° | 120.5° |
| O | C6 | O1 | 124.1° | 120.0° |
| C6 | O1 | H8 | 109.5° | 117.0° |
| C2 | C1 | C | 123.2° | 119.6° |
| C1 | C2 | H9 | 120.5° | 120.5° |
| C1 | C | N1 | 112.7° | 109.5° |
| C1 | C | H10 | 108.6° | 109.5° |
| C1 | C | H11 | 108.7° | 109.5° |
| C | N1 | C7 | 115.7° | 111.0° |
| C | N1 | H1 | 107.9° | 111.0° |
| N1 | C | H10 | 108.7° | 109.5° |
| N1 | C | H11 | 108.7° | 109.5° |
| N1 | C7 | C8 | 117.8° | 109.5° |
| C7 | N1 | H1 | 107.9° | 111.0° |
| N1 | C7 | H5 | 107.3° | 109.5° |
| N1 | C7 | H6 | 107.4° | 109.5° |
| C7 | C8 | O2 | 116.8° | 125.8° |
| C7 | C8 | C9 | 133.4° | 125.8° |
| C8 | C7 | H5 | 107.4° | 109.5° |
| C8 | C7 | H6 | 107.3° | 109.5° |
| O2 | C8 | C9 | 109.8° | 108.5° |
| C8 | O2 | C11 | 106.5° | 109.4° |
| C8 | C9 | C10 | 107.8° | 106.8° |
| C8 | C9 | H13 | 126.1° | 126.6° |
| O2 | C11 | C10 | 109.2° | 108.5° |
| O2 | C11 | H12 | 125.4° | 125.8° |
| C9 | C10 | C11 | 106.7° | 106.9° |
| C9 | C10 | H7 | 126.6° | 126.6° |
| C10 | C9 | H13 | 126.1° | 126.6° |
| C11 | C10 | H7 | 126.7° | 126.6° |
| C10 | C11 | H12 | 125.4° | 125.8° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | N | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C4 | C5 | N | C1 | 3.5° | 0.6° |
| C5 | C4 | C3 | C6 | 177.8° | 179.8° |
| C5 | C4 | C3 | C2 | 0.2° | 0.3° |
| N | C5 | C4 | C3 | 1.5° | 0.0° |
| C5 | N | C1 | C2 | 3.8° | 0.9° |
| C5 | N | C1 | C | 175.8° | 180.0° |
| N | C5 | C4 | H3 | 178.5° | 179.8° |
| C4 | C3 | C6 | C2 | 178.0° | 180.0° |
| C4 | C3 | C6 | O | 44.3° | 180.0° |
| C4 | C3 | C6 | O1 | 131.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 178.4° | 179.9° |
| C4 | C3 | C2 | H9 | 179.8° | 180.0° |
| N | C1 | C2 | C3 | 2.2° | 0.6° |
| N | C1 | C2 | C | 179.6° | 179.1° |
| N | C1 | C | N1 | 37.7° | 85.0° |
| C1 | N | C5 | H4 | 176.5° | 179.4° |
| N | C1 | C2 | H9 | 177.8° | 179.4° |
| N | C1 | C | H10 | 82.8° | 155.0° |
| N | C1 | C | H11 | 158.2° | 35.0° |
| C3 | C6 | O | O1 | 175.2° | 179.9° |
| C6 | C3 | C2 | C1 | 178.2° | 180.0° |
| C6 | C3 | C4 | H3 | 2.2° | 0.0° |
| C3 | C6 | O1 | H8 | 174.9° | 180.0° |
| C6 | C3 | C2 | H9 | 1.8° | 0.1° |
| C2 | C3 | C6 | O | 137.7° | 0.1° |
| C2 | C3 | C6 | O1 | 46.9° | 180.0° |
| C3 | C2 | C1 | H9 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 177.4° | 179.7° |
| C2 | C3 | C4 | H3 | 179.8° | 180.0° |
| O | C6 | O1 | H8 | 0.0° | 0.0° |
| C2 | C1 | C | N1 | 142.0° | 95.9° |
| C2 | C1 | C | H10 | 97.6° | 24.1° |
| C2 | C1 | C | H11 | 21.5° | 144.1° |
| C1 | C | N1 | H10 | 120.5° | 120.0° |
| C1 | C | N1 | H11 | 120.5° | 120.0° |
| C1 | C | N1 | C7 | 68.3° | 180.0° |
| C1 | C | N1 | H1 | 52.6° | 56.0° |
| C | C1 | C2 | H9 | 2.6° | 0.3° |
| C1 | C | H10 | H11 | 118.5° | 120.0° |
| C | N1 | C7 | H1 | 120.9° | 123.9° |
| C | N1 | C7 | C8 | 82.5° | 180.0° |
| C | N1 | C7 | H5 | 38.7° | 60.0° |
| C | N1 | C7 | H6 | 156.3° | 60.0° |
| N1 | C | H10 | H11 | 118.5° | 120.0° |
| N1 | C7 | C8 | H5 | 121.2° | 120.0° |
| N1 | C7 | C8 | H6 | 121.2° | 120.0° |
| N1 | C7 | C8 | O2 | 69.5° | 90.0° |
| N1 | C7 | C8 | C9 | 112.3° | 89.7° |
| N1 | C7 | H5 | H6 | 116.2° | 120.0° |
| C7 | N1 | C | H10 | 171.2° | 60.0° |
| C7 | N1 | C | H11 | 52.2° | 60.0° |
| C7 | C8 | O2 | C9 | 178.6° | 179.8° |
| C7 | C8 | O2 | C11 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 178.8° | 179.9° |
| C8 | C7 | N1 | H1 | 156.6° | 56.1° |
| C8 | C7 | H5 | H6 | 116.2° | 120.0° |
| C7 | C8 | C9 | H13 | 1.2° | 0.1° |
| O2 | C8 | C9 | C10 | 0.5° | 0.4° |
| C8 | O2 | C11 | C10 | 1.6° | 0.0° |
| O2 | C8 | C7 | H5 | 51.6° | 150.0° |
| O2 | C8 | C7 | H6 | 169.2° | 30.1° |
| C8 | O2 | C11 | H12 | 178.4° | 180.0° |
| O2 | C8 | C9 | H13 | 179.5° | 179.7° |
| C9 | C8 | O2 | C11 | 1.3° | 0.2° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.4° |
| C9 | C8 | C7 | H5 | 126.5° | 30.3° |
| C9 | C8 | C7 | H6 | 8.9° | 150.2° |
| C8 | C9 | C10 | H7 | 179.5° | 179.8° |
| O2 | C11 | C10 | C9 | 1.2° | 0.3° |
| O2 | C11 | C10 | H12 | 180.0° | 180.0° |
| O2 | C11 | C10 | H7 | 178.8° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C9 | C10 | C11 | H12 | 178.8° | 179.7° |
| C11 | C10 | C9 | H13 | 179.5° | 179.7° |
| H1 | N1 | C7 | H5 | 82.2° | 176.1° |
| H1 | N1 | C7 | H6 | 35.4° | 64.0° |
| H1 | N1 | C | H10 | 67.9° | 64.0° |
| H1 | N1 | C | H11 | 173.1° | 176.1° |
| H3 | C4 | C5 | H4 | 1.6° | 0.3° |
| H7 | C10 | C11 | H12 | 1.3° | 0.0° |
| H7 | C10 | C9 | H13 | 0.5° | 0.1° |
