H55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| N2 | N1 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.42Å | |
| C5 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C8 | doub | 1.30Å | 1.27Å | |
| N3 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N9 | C10 | sing | 1.38Å | 1.35Å | |
| C10 | N8 | doub | 1.33Å | 1.36Å | Aromatic |
| N4 | C8 | sing | 1.38Å | 1.33Å | |
| N4 | C7 | sing | 1.35Å | 1.35Å | |
| C8 | N5 | sing | 1.38Å | 1.33Å | |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| C6 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| N8 | C9 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | N7 | sing | 1.38Å | 1.36Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| N7 | H5 | sing | 0.97Å | 1.00Å | |
| N7 | H6 | sing | 0.97Å | 1.00Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| N9 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | N2 | 115.8° | 125.9° |
| C2 | N1 | C1 | 133.3° | 125.9° |
| N1 | C2 | H11 | 109.5° | 109.4° |
| N1 | C2 | H12 | 109.5° | 109.4° |
| N1 | C2 | H13 | 109.5° | 109.5° |
| N1 | N2 | C3 | 105.2° | 108.5° |
| N2 | N1 | C1 | 111.0° | 108.3° |
| N2 | C3 | C4 | 110.9° | 108.1° |
| N2 | C3 | H10 | 124.5° | 125.9° |
| N1 | C1 | C4 | 108.0° | 107.6° |
| N1 | C1 | H9 | 126.0° | 126.2° |
| C3 | C4 | C1 | 105.0° | 107.5° |
| C3 | C4 | C5 | 122.7° | 126.3° |
| C4 | C3 | H10 | 124.6° | 125.9° |
| C1 | C4 | C5 | 132.3° | 126.2° |
| C4 | C1 | H9 | 126.0° | 126.2° |
| C4 | C5 | N3 | 115.4° | 120.0° |
| C4 | C5 | C10 | 128.2° | 120.0° |
| N3 | C5 | C10 | 116.4° | 120.0° |
| C5 | N3 | C6 | 124.2° | 120.0° |
| C5 | C10 | N9 | 126.2° | 120.0° |
| C5 | C10 | N8 | 119.5° | 120.0° |
| N6 | C8 | N4 | 118.8° | 120.0° |
| N6 | C8 | N5 | 120.0° | 119.9° |
| C8 | N6 | H2 | 112.0° | 120.0° |
| N3 | C6 | C7 | 118.3° | 120.0° |
| N3 | C6 | C9 | 118.8° | 120.0° |
| N9 | C10 | N8 | 114.3° | 120.0° |
| C10 | N9 | H7 | 109.5° | 120.0° |
| C10 | N9 | H8 | 109.4° | 120.0° |
| C10 | N8 | C9 | 122.9° | 120.0° |
| C8 | N4 | C7 | 126.6° | 120.0° |
| N4 | C8 | N5 | 121.1° | 120.0° |
| C8 | N4 | H1 | 116.7° | 120.0° |
| N4 | C7 | C6 | 117.7° | 120.0° |
| N4 | C7 | O1 | 124.6° | 120.0° |
| C7 | N4 | H1 | 116.7° | 120.0° |
| C8 | N5 | H3 | 120.0° | 119.9° |
| C8 | N5 | H4 | 120.0° | 120.0° |
| C7 | C6 | C9 | 122.9° | 120.0° |
| C6 | C7 | O1 | 117.7° | 120.0° |
| C6 | C9 | N8 | 118.1° | 120.0° |
| C6 | C9 | N7 | 122.7° | 120.0° |
| N8 | C9 | N7 | 119.2° | 120.0° |
| C9 | N7 | H5 | 109.5° | 120.0° |
| C9 | N7 | H6 | 109.5° | 120.0° |
| H3 | N5 | H4 | 120.0° | 120.1° |
| H5 | N7 | H6 | 109.4° | 120.0° |
| H7 | N9 | H8 | 109.5° | 120.0° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H11 | C2 | H13 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | N2 | C1 | 180.0° | 180.0° |
| C2 | N1 | N2 | C3 | 179.8° | 180.0° |
| C2 | N1 | C1 | C4 | 179.8° | 179.8° |
| C2 | N1 | C1 | H9 | 0.2° | 0.2° |
| N1 | C2 | H11 | H12 | 120.0° | 119.9° |
| N1 | C2 | H11 | H13 | 120.0° | 120.0° |
| N1 | C2 | H12 | H13 | 120.0° | 120.0° |
| N1 | N2 | C3 | C4 | 0.2° | 0.2° |
| N2 | N1 | C1 | C4 | 0.2° | 0.2° |
| N2 | N1 | C1 | H9 | 179.8° | 179.8° |
| N1 | N2 | C3 | H10 | 179.9° | 179.8° |
| N2 | N1 | C2 | H11 | 0.0° | 90.0° |
| N2 | N1 | C2 | H12 | 120.0° | 150.1° |
| N2 | N1 | C2 | H13 | 120.0° | 30.0° |
| C3 | N2 | N1 | C1 | 0.3° | 0.0° |
| N2 | C3 | C4 | H10 | 180.0° | 180.0° |
| N2 | C3 | C4 | C1 | 0.0° | 0.3° |
| N2 | C3 | C4 | C5 | 179.8° | 180.0° |
| N1 | C1 | C4 | C3 | 0.1° | 0.3° |
| N1 | C1 | C4 | H9 | 180.0° | 180.0° |
| N1 | C1 | C4 | C5 | 180.0° | 180.0° |
| C1 | N1 | C2 | H11 | 180.0° | 90.0° |
| C1 | N1 | C2 | H12 | 59.9° | 29.9° |
| C1 | N1 | C2 | H13 | 60.0° | 150.0° |
| C3 | C4 | C1 | C5 | 179.8° | 179.8° |
| C3 | C4 | C5 | N3 | 0.2° | 144.6° |
| C3 | C4 | C5 | C10 | 179.7° | 35.3° |
| C3 | C4 | C1 | H9 | 179.9° | 179.7° |
| C1 | C4 | C5 | N3 | 179.5° | 35.1° |
| C1 | C4 | C5 | C10 | 0.5° | 145.0° |
| C1 | C4 | C3 | H10 | 180.0° | 179.7° |
| C4 | C5 | N3 | C10 | 179.9° | 179.9° |
| C4 | C5 | N3 | C6 | 179.0° | 180.0° |
| C4 | C5 | C10 | N9 | 0.0° | 0.1° |
| C4 | C5 | C10 | N8 | 179.8° | 179.7° |
| C5 | C4 | C1 | H9 | 0.1° | 0.1° |
| C5 | C4 | C3 | H10 | 0.2° | 0.0° |
| N3 | C5 | C10 | N9 | 179.9° | 180.0° |
| N3 | C5 | C10 | N8 | 0.2° | 0.2° |
| C5 | N3 | C6 | C7 | 178.8° | 180.0° |
| C5 | N3 | C6 | C9 | 1.7° | 0.3° |
| C10 | C5 | N3 | C6 | 0.9° | 0.1° |
| C5 | C10 | N9 | N8 | 179.8° | 179.8° |
| C5 | C10 | N8 | C9 | 0.2° | 0.2° |
| C5 | C10 | N9 | H7 | 179.7° | 179.8° |
| C5 | C10 | N9 | H8 | 59.7° | 0.2° |
| N6 | C8 | N4 | N5 | 178.8° | 179.9° |
| N6 | C8 | N4 | C7 | 177.7° | 0.1° |
| N6 | C8 | N4 | H1 | 2.3° | 179.9° |
| N6 | C8 | N5 | H3 | 178.8° | 180.0° |
| N6 | C8 | N5 | H4 | 1.2° | 0.1° |
| N3 | C6 | C7 | N4 | 5.9° | 5.6° |
| N3 | C6 | C7 | C9 | 177.0° | 179.7° |
| N3 | C6 | C7 | O1 | 172.0° | 174.6° |
| N3 | C6 | C9 | N8 | 1.6° | 0.3° |
| N3 | C6 | C9 | N7 | 179.3° | 179.7° |
| N9 | C10 | N8 | C9 | 180.0° | 179.9° |
| C10 | N9 | H7 | H8 | 120.0° | 179.9° |
| C10 | N8 | C9 | C6 | 0.9° | 0.0° |
| C10 | N8 | C9 | N7 | 179.9° | 180.0° |
| N8 | C10 | N9 | H7 | 0.0° | 0.1° |
| N8 | C10 | N9 | H8 | 120.0° | 180.0° |
| C8 | N4 | C7 | H1 | 180.0° | 180.0° |
| C8 | N4 | C7 | C6 | 178.5° | 179.7° |
| C8 | N4 | C7 | O1 | 0.7° | 0.1° |
| N4 | C8 | N6 | H2 | 178.8° | 180.0° |
| N4 | C8 | N5 | H3 | 0.0° | 0.1° |
| N4 | C8 | N5 | H4 | 180.0° | 180.0° |
| C7 | N4 | C8 | N5 | 1.2° | 180.0° |
| N4 | C7 | C6 | O1 | 177.9° | 179.8° |
| N4 | C7 | C6 | C9 | 177.0° | 174.1° |
| N5 | C8 | N4 | H1 | 178.9° | 0.1° |
| N5 | C8 | N6 | H2 | 0.0° | 0.1° |
| C8 | N5 | H3 | H4 | 180.0° | 180.0° |
| C7 | C6 | C9 | N8 | 178.6° | 180.0° |
| C7 | C6 | C9 | N7 | 2.2° | 0.1° |
| C6 | C7 | N4 | H1 | 1.6° | 0.2° |
| C9 | C6 | C7 | O1 | 5.1° | 5.7° |
| C6 | C9 | N8 | N7 | 179.2° | 180.0° |
| C6 | C9 | N7 | H5 | 179.2° | 5.4° |
| C6 | C9 | N7 | H6 | 60.9° | 174.5° |
| O1 | C7 | N4 | H1 | 179.3° | 180.0° |
| N8 | C9 | N7 | H5 | 0.0° | 174.6° |
| N8 | C9 | N7 | H6 | 120.0° | 5.5° |
| C9 | N7 | H5 | H6 | 120.0° | 179.9° |
| H11 | C2 | H12 | H13 | 120.0° | 120.1° |
