RHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C10 | sing | 1.32Å | 1.31Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.45Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| C8 | N3 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| N3 | C2 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N5 | C17 | sing | 1.39Å | 1.31Å | |
| C2 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C7 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C15 | sing | 1.48Å | 1.49Å | |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| N6 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N7 | sing | 1.39Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| N5 | H7 | sing | 0.97Å | 1.00Å | |
| N7 | H8 | sing | 0.97Å | 1.00Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C14 | C13 | 123.1° | 120.9° |
| C14 | N4 | C10 | 117.0° | 121.6° |
| N4 | C14 | H17 | 118.5° | 119.6° |
| C14 | C13 | C12 | 118.1° | 119.3° |
| C14 | C13 | H16 | 121.0° | 120.3° |
| C13 | C14 | H17 | 118.5° | 119.6° |
| N4 | C10 | O1 | 117.9° | 119.7° |
| N4 | C10 | C11 | 124.6° | 120.7° |
| C8 | C9 | O1 | 108.3° | 109.5° |
| C9 | C8 | N3 | 115.8° | 109.5° |
| C9 | C8 | H10 | 107.9° | 109.5° |
| C9 | C8 | H11 | 107.9° | 109.5° |
| C8 | C9 | H12 | 109.8° | 109.4° |
| C8 | C9 | H13 | 109.8° | 109.5° |
| C9 | O1 | C10 | 114.9° | 117.0° |
| O1 | C9 | H12 | 109.8° | 109.5° |
| O1 | C9 | H13 | 109.8° | 109.5° |
| C8 | N3 | C2 | 115.3° | 126.3° |
| C8 | N3 | C7 | 138.1° | 126.3° |
| N3 | C8 | H10 | 107.9° | 109.4° |
| N3 | C8 | H11 | 107.9° | 109.4° |
| C13 | C12 | C11 | 119.7° | 118.5° |
| C13 | C12 | H15 | 120.2° | 120.7° |
| C12 | C13 | H16 | 121.0° | 120.4° |
| O1 | C10 | C11 | 117.5° | 119.7° |
| C10 | C11 | C12 | 117.6° | 119.1° |
| C10 | C11 | H14 | 121.2° | 120.5° |
| C1 | C2 | N3 | 121.2° | 124.9° |
| C1 | C2 | N1 | 125.6° | 124.9° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.4° |
| C2 | N3 | C7 | 106.5° | 107.4° |
| N3 | C2 | N1 | 113.3° | 110.2° |
| N3 | C7 | N2 | 128.8° | 133.8° |
| N3 | C7 | C3 | 105.6° | 105.8° |
| N5 | C17 | C16 | 120.7° | 119.6° |
| N5 | C17 | N6 | 116.7° | 119.6° |
| C17 | N5 | H6 | 109.5° | 120.0° |
| C17 | N5 | H7 | 109.5° | 120.0° |
| C2 | N1 | C3 | 104.0° | 109.5° |
| C12 | C11 | H14 | 121.2° | 120.5° |
| C11 | C12 | H15 | 120.2° | 120.8° |
| C7 | N2 | C6 | 116.0° | 121.3° |
| N2 | C7 | C3 | 125.6° | 120.4° |
| N2 | C6 | C15 | 117.0° | 119.4° |
| N2 | C6 | C5 | 121.4° | 121.2° |
| C7 | C3 | N1 | 110.7° | 107.1° |
| C7 | C3 | C4 | 118.6° | 119.1° |
| C17 | C16 | C15 | 119.7° | 119.1° |
| C16 | C17 | N6 | 122.5° | 120.8° |
| C17 | C16 | H18 | 120.1° | 120.5° |
| C16 | C15 | C6 | 121.3° | 120.8° |
| C16 | C15 | C19 | 117.4° | 118.4° |
| C15 | C16 | H18 | 120.1° | 120.4° |
| C17 | N6 | C18 | 117.9° | 121.8° |
| N1 | C3 | C4 | 130.8° | 133.8° |
| C3 | C4 | C5 | 117.0° | 118.4° |
| C3 | C4 | H4 | 121.5° | 120.8° |
| C15 | C6 | C5 | 121.4° | 119.4° |
| C6 | C15 | C19 | 121.0° | 120.8° |
| C6 | C5 | C4 | 121.3° | 119.6° |
| C6 | C5 | H5 | 119.4° | 120.2° |
| C15 | C19 | C18 | 119.8° | 119.1° |
| C15 | C19 | H19 | 120.1° | 120.4° |
| N6 | C18 | C19 | 122.5° | 120.8° |
| N6 | C18 | N7 | 116.8° | 119.6° |
| C5 | C4 | H4 | 121.5° | 120.8° |
| C4 | C5 | H5 | 119.4° | 120.2° |
| C19 | C18 | N7 | 120.6° | 119.6° |
| C18 | C19 | H19 | 120.1° | 120.4° |
| C18 | N7 | H8 | 109.5° | 120.0° |
| C18 | N7 | H9 | 109.4° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.6° |
| H6 | N5 | H7 | 109.5° | 119.9° |
| H8 | N7 | H9 | 109.5° | 120.0° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C14 | C13 | H17 | 180.0° | 179.9° |
| N4 | C14 | C13 | C12 | 1.1° | 0.0° |
| C14 | N4 | C10 | O1 | 179.1° | 180.0° |
| C14 | N4 | C10 | C11 | 1.4° | 0.0° |
| N4 | C14 | C13 | H16 | 178.9° | 180.0° |
| C13 | C14 | N4 | C10 | 1.8° | 0.0° |
| C14 | C13 | C12 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | H15 | 179.9° | 179.9° |
| N4 | C10 | O1 | C9 | 13.3° | 0.1° |
| N4 | C10 | O1 | C11 | 179.6° | 179.9° |
| N4 | C10 | C11 | C12 | 0.3° | 0.0° |
| N4 | C10 | C11 | H14 | 179.7° | 179.9° |
| C10 | N4 | C14 | H17 | 178.2° | 179.9° |
| C8 | C9 | O1 | H12 | 119.8° | 120.0° |
| C8 | C9 | O1 | H13 | 119.8° | 120.0° |
| C9 | C8 | N3 | H10 | 121.0° | 120.0° |
| C9 | C8 | N3 | H11 | 120.9° | 120.0° |
| C8 | C9 | O1 | C10 | 166.7° | 180.0° |
| C9 | C8 | N3 | C2 | 179.0° | 90.0° |
| C9 | C8 | N3 | C7 | 5.0° | 90.0° |
| C9 | C8 | H10 | H11 | 117.1° | 120.1° |
| C8 | C9 | H12 | H13 | 120.5° | 120.0° |
| O1 | C9 | C8 | N3 | 84.9° | 180.0° |
| C9 | O1 | C10 | C11 | 167.1° | 180.0° |
| O1 | C9 | C8 | H10 | 36.1° | 60.0° |
| O1 | C9 | C8 | H11 | 154.2° | 60.0° |
| O1 | C9 | H12 | H13 | 120.6° | 120.1° |
| C8 | N3 | C2 | C1 | 1.6° | 0.1° |
| C8 | N3 | C2 | C7 | 177.2° | 180.0° |
| C8 | N3 | C2 | N1 | 177.9° | 180.0° |
| C8 | N3 | C7 | N2 | 4.2° | 0.0° |
| C8 | N3 | C7 | C3 | 176.6° | 180.0° |
| N3 | C8 | H10 | H11 | 117.1° | 120.0° |
| N3 | C8 | C9 | H12 | 34.9° | 60.0° |
| N3 | C8 | C9 | H13 | 155.3° | 60.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | H14 | 179.5° | 180.0° |
| C12 | C13 | C14 | H17 | 178.9° | 180.0° |
| O1 | C10 | C11 | C12 | 179.8° | 179.9° |
| C10 | O1 | C9 | H12 | 46.9° | 60.1° |
| C10 | O1 | C9 | H13 | 73.5° | 60.0° |
| O1 | C10 | C11 | H14 | 0.2° | 0.0° |
| C10 | C11 | C12 | H14 | 180.0° | 179.9° |
| C10 | C11 | C12 | H15 | 179.5° | 180.0° |
| C1 | C2 | N3 | N1 | 179.5° | 179.9° |
| C1 | C2 | N3 | C7 | 178.8° | 180.0° |
| C1 | C2 | N1 | C3 | 178.8° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | N3 | C7 | N2 | 179.6° | 180.0° |
| C2 | N3 | C7 | C3 | 0.4° | 0.1° |
| N3 | C2 | N1 | C3 | 0.6° | 0.0° |
| N3 | C2 | C1 | H1 | 179.5° | 90.0° |
| N3 | C2 | C1 | H2 | 59.4° | 29.9° |
| N3 | C2 | C1 | H3 | 60.6° | 150.0° |
| C2 | N3 | C8 | H10 | 60.0° | 150.0° |
| C2 | N3 | C8 | H11 | 58.1° | 30.0° |
| C7 | N3 | C2 | N1 | 0.7° | 0.1° |
| N3 | C7 | N2 | C3 | 178.9° | 179.9° |
| N3 | C7 | N2 | C6 | 179.8° | 180.0° |
| N3 | C7 | C3 | N1 | 0.1° | 0.0° |
| N3 | C7 | C3 | C4 | 179.4° | 180.0° |
| C7 | N3 | C8 | H10 | 115.9° | 30.0° |
| C7 | N3 | C8 | H11 | 126.0° | 150.0° |
| N5 | C17 | C16 | N6 | 178.7° | 180.0° |
| N5 | C17 | C16 | C15 | 178.4° | 180.0° |
| N5 | C17 | N6 | C18 | 178.4° | 180.0° |
| C17 | N5 | H6 | H7 | 120.0° | 180.0° |
| N5 | C17 | C16 | H18 | 1.6° | 0.0° |
| C2 | N1 | C3 | C7 | 0.3° | 0.0° |
| C2 | N1 | C3 | C4 | 178.9° | 180.0° |
| N1 | C2 | C1 | H1 | 0.0° | 90.1° |
| N1 | C2 | C1 | H2 | 120.0° | 150.0° |
| N1 | C2 | C1 | H3 | 120.0° | 29.9° |
| C11 | C12 | C13 | H16 | 179.9° | 180.0° |
| N2 | C7 | C3 | N1 | 179.2° | 180.0° |
| N2 | C7 | C3 | C4 | 1.4° | 0.0° |
| C7 | N2 | C6 | C15 | 176.0° | 180.0° |
| C7 | N2 | C6 | C5 | 0.8° | 0.0° |
| C6 | N2 | C7 | C3 | 0.8° | 0.0° |
| N2 | C6 | C15 | C16 | 1.1° | 180.0° |
| N2 | C6 | C15 | C5 | 175.2° | 180.0° |
| N2 | C6 | C15 | C19 | 172.9° | 0.0° |
| N2 | C6 | C5 | C4 | 1.9° | 0.0° |
| N2 | C6 | C5 | H5 | 178.1° | 180.0° |
| C7 | C3 | N1 | C4 | 179.3° | 180.0° |
| C7 | C3 | C4 | C5 | 0.2° | 0.0° |
| C7 | C3 | C4 | H4 | 179.8° | 180.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C6 | 177.2° | 180.0° |
| C17 | C16 | C15 | C19 | 3.0° | 0.0° |
| C16 | C17 | N6 | C18 | 2.8° | 0.0° |
| C16 | C17 | N5 | H6 | 178.8° | 0.0° |
| C16 | C17 | N5 | H7 | 61.2° | 180.0° |
| C15 | C16 | C17 | N6 | 2.9° | 0.0° |
| C16 | C15 | C6 | C19 | 174.0° | 180.0° |
| C16 | C15 | C6 | C5 | 176.3° | 0.0° |
| C16 | C15 | C19 | C18 | 3.2° | 0.0° |
| C16 | C15 | C19 | H19 | 176.9° | 180.0° |
| C17 | N6 | C18 | C19 | 3.0° | 0.0° |
| C17 | N6 | C18 | N7 | 179.5° | 180.0° |
| N6 | C17 | N5 | H6 | 0.0° | 180.0° |
| N6 | C17 | N5 | H7 | 120.0° | 0.0° |
| N6 | C17 | C16 | H18 | 177.1° | 180.0° |
| N1 | C3 | C4 | C5 | 179.5° | 180.0° |
| N1 | C3 | C4 | H4 | 0.6° | 0.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 178.7° | 180.0° |
| C15 | C6 | C5 | C4 | 176.9° | 180.0° |
| C6 | C15 | C19 | C18 | 177.4° | 180.0° |
| C15 | C6 | C5 | H5 | 3.1° | 0.0° |
| C6 | C15 | C16 | H18 | 2.8° | 0.0° |
| C6 | C15 | C19 | H19 | 2.6° | 0.0° |
| C5 | C6 | C15 | C19 | 2.3° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 178.7° | 180.0° |
| C15 | C19 | C18 | N6 | 3.3° | 0.0° |
| C15 | C19 | C18 | H19 | 180.0° | 180.0° |
| C15 | C19 | C18 | N7 | 179.7° | 180.0° |
| C19 | C15 | C16 | H18 | 177.0° | 180.0° |
| N6 | C18 | C19 | N7 | 176.4° | 179.9° |
| N6 | C18 | N7 | H8 | 0.0° | 0.0° |
| N6 | C18 | N7 | H9 | 120.0° | 180.0° |
| N6 | C18 | C19 | H19 | 176.7° | 180.0° |
| C19 | C18 | N7 | H8 | 176.6° | 179.9° |
| C19 | C18 | N7 | H9 | 56.6° | 0.1° |
| C18 | N7 | H8 | H9 | 120.0° | 180.0° |
| N7 | C18 | C19 | H19 | 0.3° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C4 | C5 | H5 | 1.3° | 0.0° |
| H10 | C8 | C9 | H12 | 155.9° | 60.0° |
| H10 | C8 | C9 | H13 | 83.7° | 180.0° |
| H11 | C8 | C9 | H12 | 86.0° | 180.0° |
| H11 | C8 | C9 | H13 | 34.4° | 60.0° |
| H14 | C11 | C12 | H15 | 0.5° | 0.0° |
| H15 | C12 | C13 | H16 | 0.1° | 0.0° |
| H16 | C13 | C14 | H17 | 1.1° | 0.0° |
