RQE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C21 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C21 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| N2 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | N3 | sing | 1.41Å | 1.40Å | |
| C4 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C20 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C15 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N5 | sing | 1.38Å | 1.34Å | |
| C6 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C15 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | N9 | sing | 1.39Å | 1.34Å | |
| N5 | C7 | sing | 1.46Å | 1.45Å | |
| N9 | C16 | sing | 1.47Å | 1.46Å | |
| N9 | C19 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C17 | O1 | sing | 1.43Å | 1.42Å | |
| C8 | N6 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| N6 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | O1 | sing | 1.43Å | 1.42Å | |
| N7 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C21 | 128.3° | 126.0° |
| C1 | N1 | N2 | 120.7° | 126.0° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H1 | 109.5° | 109.4° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| C21 | N1 | N2 | 111.0° | 108.0° |
| N1 | C21 | C3 | 107.2° | 107.7° |
| N1 | C21 | H22 | 126.4° | 126.2° |
| N1 | N2 | C2 | 105.8° | 108.4° |
| C21 | C3 | C2 | 105.8° | 107.8° |
| C21 | C3 | N3 | 129.7° | 126.1° |
| C3 | C21 | H22 | 126.4° | 126.2° |
| N2 | C2 | C3 | 110.1° | 108.2° |
| N2 | C2 | H4 | 124.9° | 125.9° |
| C2 | C3 | N3 | 124.3° | 126.1° |
| C3 | C2 | H4 | 125.0° | 125.9° |
| C3 | N3 | C4 | 124.8° | 126.3° |
| C3 | N3 | C20 | 127.5° | 126.3° |
| N3 | C4 | N4 | 111.2° | 109.9° |
| C4 | N3 | C20 | 107.5° | 107.4° |
| N3 | C4 | H5 | 124.4° | 125.0° |
| C4 | N4 | C5 | 105.9° | 109.5° |
| N4 | C4 | H5 | 124.4° | 125.1° |
| N3 | C20 | C5 | 105.5° | 106.1° |
| N3 | C20 | N10 | 129.1° | 134.8° |
| N4 | C5 | C20 | 109.9° | 107.2° |
| N4 | C5 | C6 | 133.1° | 134.5° |
| C5 | C20 | N10 | 125.3° | 119.2° |
| C20 | C5 | C6 | 117.0° | 118.3° |
| C20 | N10 | C15 | 114.9° | 120.6° |
| C5 | C6 | N5 | 123.8° | 120.8° |
| C5 | C6 | N8 | 118.4° | 118.5° |
| N10 | C15 | N8 | 123.9° | 122.3° |
| N10 | C15 | N9 | 120.5° | 118.9° |
| N5 | C6 | N8 | 117.8° | 120.7° |
| C6 | N5 | C7 | 122.4° | 120.0° |
| C6 | N5 | H6 | 106.2° | 120.0° |
| C6 | N8 | C15 | 120.5° | 121.2° |
| N8 | C15 | N9 | 115.6° | 118.9° |
| C15 | N9 | C16 | 123.4° | 111.0° |
| C15 | N9 | C19 | 122.6° | 111.0° |
| N5 | C7 | C8 | 110.1° | 109.5° |
| N5 | C7 | H7 | 109.3° | 109.4° |
| N5 | C7 | H8 | 109.3° | 109.5° |
| C7 | N5 | H6 | 106.2° | 120.0° |
| C16 | N9 | C19 | 113.9° | 110.8° |
| N9 | C16 | C17 | 108.3° | 109.3° |
| N9 | C16 | H15 | 109.8° | 109.5° |
| N9 | C16 | H14 | 109.7° | 109.5° |
| N9 | C19 | C18 | 108.6° | 109.2° |
| N9 | C19 | H20 | 109.7° | 109.5° |
| N9 | C19 | H21 | 109.7° | 109.5° |
| C16 | C17 | O1 | 111.2° | 109.2° |
| C17 | C16 | H15 | 109.7° | 109.5° |
| C17 | C16 | H14 | 109.8° | 109.5° |
| C16 | C17 | H16 | 109.1° | 109.5° |
| C16 | C17 | H17 | 109.0° | 109.5° |
| C19 | C18 | O1 | 113.3° | 109.3° |
| C19 | C18 | H19 | 108.5° | 109.5° |
| C19 | C18 | H18 | 108.5° | 109.5° |
| C18 | C19 | H20 | 109.7° | 109.5° |
| C18 | C19 | H21 | 109.7° | 109.5° |
| C7 | C8 | N6 | 124.9° | 124.9° |
| C7 | C8 | N7 | 122.8° | 124.9° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H8 | 109.3° | 109.5° |
| C17 | O1 | C18 | 110.6° | 113.8° |
| O1 | C17 | H16 | 109.1° | 109.5° |
| O1 | C17 | H17 | 109.1° | 109.5° |
| N6 | C8 | N7 | 112.4° | 110.1° |
| C8 | N6 | C9 | 105.1° | 109.6° |
| C8 | N7 | C10 | 107.9° | 107.3° |
| C8 | N7 | H13 | 126.1° | 126.3° |
| N6 | C9 | C10 | 109.7° | 106.9° |
| N6 | C9 | C14 | 130.5° | 133.6° |
| O1 | C18 | H19 | 108.5° | 109.6° |
| O1 | C18 | H18 | 108.5° | 109.5° |
| N7 | C10 | C9 | 105.0° | 106.0° |
| N7 | C10 | C11 | 132.6° | 134.1° |
| C10 | N7 | H13 | 126.1° | 126.4° |
| C10 | C9 | C14 | 119.8° | 119.5° |
| C9 | C10 | C11 | 122.4° | 119.8° |
| C9 | C14 | C13 | 118.2° | 119.9° |
| C9 | C14 | H12 | 120.9° | 120.0° |
| C10 | C11 | C12 | 116.9° | 119.7° |
| C10 | C11 | H9 | 121.5° | 120.1° |
| C14 | C13 | C12 | 121.2° | 120.7° |
| C13 | C14 | H12 | 120.9° | 120.1° |
| C14 | C13 | H11 | 119.4° | 119.7° |
| C11 | C12 | C13 | 121.5° | 120.4° |
| C11 | C12 | H10 | 119.3° | 119.8° |
| C12 | C11 | H9 | 121.5° | 120.2° |
| C13 | C12 | H10 | 119.3° | 119.8° |
| C12 | C13 | H11 | 119.4° | 119.7° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H15 | C16 | H14 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.6° |
| H19 | C18 | H18 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.6° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C21 | N2 | 178.7° | 179.8° |
| C1 | N1 | C21 | C3 | 178.8° | 180.0° |
| C1 | N1 | N2 | C2 | 179.9° | 179.8° |
| N1 | C1 | H3 | H1 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | N1 | C21 | H22 | 1.2° | 0.1° |
| N1 | C21 | C3 | H22 | 180.0° | 179.9° |
| C21 | N1 | N2 | C2 | 1.3° | 0.4° |
| N1 | C21 | C3 | C2 | 1.1° | 0.0° |
| N1 | C21 | C3 | N3 | 177.1° | 179.7° |
| C21 | N1 | C1 | H3 | 178.6° | 90.0° |
| C21 | N1 | C1 | H1 | 61.4° | 150.0° |
| C21 | N1 | C1 | H2 | 58.5° | 30.0° |
| N2 | N1 | C21 | C3 | 0.1° | 0.2° |
| N1 | N2 | C2 | C3 | 2.0° | 0.4° |
| N1 | N2 | C2 | H4 | 178.0° | 179.6° |
| N2 | N1 | C1 | H3 | 0.0° | 89.7° |
| N2 | N1 | C1 | H1 | 120.0° | 30.2° |
| N2 | N1 | C1 | H2 | 120.0° | 150.2° |
| N2 | N1 | C21 | H22 | 179.9° | 179.7° |
| C21 | C3 | C2 | N2 | 1.9° | 0.3° |
| C21 | C3 | C2 | N3 | 176.3° | 179.7° |
| C21 | C3 | N3 | C4 | 19.6° | 50.4° |
| C21 | C3 | N3 | C20 | 155.5° | 129.7° |
| C21 | C3 | C2 | H4 | 178.1° | 179.7° |
| N2 | C2 | C3 | H4 | 180.0° | 180.0° |
| N2 | C2 | C3 | N3 | 178.2° | 180.0° |
| C2 | C3 | N3 | C4 | 165.1° | 130.0° |
| C2 | C3 | N3 | C20 | 19.8° | 49.9° |
| C2 | C3 | C21 | H22 | 179.0° | 179.9° |
| C3 | N3 | C4 | C20 | 176.0° | 179.9° |
| C3 | N3 | C4 | N4 | 178.2° | 179.8° |
| C3 | N3 | C20 | C5 | 177.6° | 180.0° |
| C3 | N3 | C20 | N10 | 2.9° | 0.1° |
| N3 | C3 | C2 | H4 | 1.8° | 0.0° |
| N3 | C3 | C21 | H22 | 2.9° | 0.4° |
| C3 | N3 | C4 | H5 | 1.9° | 0.1° |
| N3 | C4 | N4 | H5 | 180.0° | 179.8° |
| N3 | C4 | N4 | C5 | 1.6° | 0.3° |
| C4 | N3 | C20 | C5 | 1.8° | 0.1° |
| C4 | N3 | C20 | N10 | 178.7° | 180.0° |
| N4 | C4 | N3 | C20 | 2.2° | 0.1° |
| C4 | N4 | C5 | C20 | 0.5° | 0.3° |
| C4 | N4 | C5 | C6 | 179.5° | 180.0° |
| N3 | C20 | C5 | N4 | 0.9° | 0.3° |
| N3 | C20 | C5 | N10 | 179.5° | 179.9° |
| N3 | C20 | C5 | C6 | 179.2° | 180.0° |
| N3 | C20 | N10 | C15 | 178.8° | 180.0° |
| C20 | N3 | C4 | H5 | 177.8° | 180.0° |
| N4 | C5 | C20 | C6 | 180.0° | 179.7° |
| N4 | C5 | C20 | N10 | 179.6° | 179.8° |
| N4 | C5 | C6 | N5 | 0.6° | 0.4° |
| N4 | C5 | C6 | N8 | 179.4° | 179.7° |
| C5 | N4 | C4 | H5 | 178.4° | 179.9° |
| C5 | C20 | N10 | C15 | 0.6° | 0.1° |
| C20 | C5 | C6 | N5 | 179.4° | 180.0° |
| C20 | C5 | C6 | N8 | 0.6° | 0.1° |
| N10 | C20 | C5 | C6 | 0.4° | 0.1° |
| C20 | N10 | C15 | N8 | 1.2° | 0.0° |
| C20 | N10 | C15 | N9 | 180.0° | 180.0° |
| C5 | C6 | N5 | N8 | 178.8° | 179.9° |
| C5 | C6 | N8 | C15 | 1.2° | 0.0° |
| C5 | C6 | N5 | C7 | 161.4° | 179.9° |
| C5 | C6 | N5 | H6 | 76.8° | 0.0° |
| N10 | C15 | N8 | C6 | 1.6° | 0.0° |
| N10 | C15 | N8 | N9 | 178.8° | 180.0° |
| N10 | C15 | N9 | C16 | 53.4° | 180.0° |
| N10 | C15 | N9 | C19 | 125.9° | 56.4° |
| N5 | C6 | N8 | C15 | 179.9° | 179.9° |
| C6 | N5 | C7 | H6 | 121.8° | 180.0° |
| C6 | N5 | C7 | C8 | 116.7° | 180.0° |
| C6 | N5 | C7 | H7 | 123.2° | 60.0° |
| C6 | N5 | C7 | H8 | 3.4° | 59.9° |
| C6 | N8 | C15 | N9 | 179.6° | 180.0° |
| N8 | C6 | N5 | C7 | 17.4° | 0.0° |
| N8 | C6 | N5 | H6 | 104.4° | 180.0° |
| N8 | C15 | N9 | C16 | 127.7° | 0.0° |
| N8 | C15 | N9 | C19 | 52.9° | 123.6° |
| C15 | N9 | C16 | C19 | 179.4° | 123.8° |
| C15 | N9 | C16 | C17 | 177.7° | 177.6° |
| C15 | N9 | C19 | C18 | 126.2° | 177.6° |
| C15 | N9 | C16 | H15 | 62.5° | 62.5° |
| C15 | N9 | C16 | H14 | 57.8° | 57.6° |
| C15 | N9 | C19 | H20 | 6.3° | 57.7° |
| C15 | N9 | C19 | H21 | 114.0° | 62.5° |
| N5 | C7 | C8 | H7 | 120.1° | 120.0° |
| N5 | C7 | C8 | H8 | 120.1° | 120.1° |
| N5 | C7 | C8 | N6 | 97.6° | 85.0° |
| N5 | C7 | C8 | N7 | 81.1° | 94.8° |
| N5 | C7 | H7 | H8 | 119.7° | 120.0° |
| N9 | C16 | C17 | H15 | 119.8° | 119.9° |
| N9 | C16 | C17 | H14 | 119.8° | 120.0° |
| C16 | N9 | C19 | C18 | 54.4° | 58.6° |
| N9 | C16 | C17 | O1 | 56.5° | 56.8° |
| N9 | C16 | H15 | H14 | 120.5° | 120.1° |
| N9 | C16 | C17 | H16 | 63.8° | 63.1° |
| N9 | C16 | C17 | H17 | 176.8° | 176.8° |
| C16 | N9 | C19 | H20 | 174.3° | 178.5° |
| C16 | N9 | C19 | H21 | 65.5° | 61.3° |
| C19 | N9 | C16 | C17 | 2.9° | 58.6° |
| N9 | C19 | C18 | H20 | 119.9° | 119.9° |
| N9 | C19 | C18 | H21 | 119.9° | 120.0° |
| N9 | C19 | C18 | O1 | 50.9° | 56.8° |
| C19 | N9 | C16 | H15 | 116.9° | 61.3° |
| C19 | N9 | C16 | H14 | 122.8° | 178.6° |
| N9 | C19 | C18 | H19 | 69.6° | 176.8° |
| N9 | C19 | C18 | H18 | 171.5° | 63.1° |
| N9 | C19 | H20 | H21 | 120.4° | 120.2° |
| C16 | C17 | O1 | H16 | 120.3° | 119.9° |
| C16 | C17 | O1 | H17 | 120.2° | 119.9° |
| C16 | C17 | O1 | C18 | 60.9° | 58.7° |
| C17 | C16 | H15 | H14 | 120.6° | 120.1° |
| C16 | C17 | H16 | H17 | 119.2° | 120.1° |
| C19 | C18 | O1 | C17 | 5.4° | 58.7° |
| C19 | C18 | O1 | H19 | 120.5° | 119.9° |
| C19 | C18 | O1 | H18 | 120.6° | 119.9° |
| C19 | C18 | H19 | H18 | 118.2° | 120.1° |
| C18 | C19 | H20 | H21 | 120.4° | 120.1° |
| C7 | C8 | N6 | N7 | 178.8° | 179.8° |
| C7 | C8 | N6 | C9 | 179.7° | 180.0° |
| C7 | C8 | N7 | C10 | 179.7° | 179.9° |
| C8 | C7 | H7 | H8 | 119.7° | 120.0° |
| C8 | C7 | N5 | H6 | 5.0° | 0.0° |
| C7 | C8 | N7 | H13 | 0.2° | 0.2° |
| O1 | C17 | C16 | H15 | 176.3° | 63.1° |
| O1 | C17 | C16 | H14 | 63.3° | 176.8° |
| O1 | C17 | H16 | H17 | 119.2° | 120.1° |
| C17 | O1 | C18 | H19 | 126.0° | 178.6° |
| C17 | O1 | C18 | H18 | 115.1° | 61.2° |
| N6 | C8 | N7 | C10 | 0.9° | 0.3° |
| C8 | N6 | C9 | C10 | 0.6° | 0.1° |
| C8 | N6 | C9 | C14 | 179.9° | 179.7° |
| N6 | C8 | C7 | H7 | 22.5° | 35.0° |
| N6 | C8 | C7 | H8 | 142.3° | 155.0° |
| N6 | C8 | N7 | H13 | 179.1° | 180.0° |
| N7 | C8 | N6 | C9 | 0.9° | 0.2° |
| C8 | N7 | C10 | H13 | 180.0° | 179.7° |
| C8 | N7 | C10 | C9 | 0.4° | 0.4° |
| C8 | N7 | C10 | C11 | 179.7° | 179.6° |
| N7 | C8 | C7 | H7 | 158.7° | 145.2° |
| N7 | C8 | C7 | H8 | 38.9° | 25.2° |
| N6 | C9 | C10 | N7 | 0.1° | 0.3° |
| N6 | C9 | C10 | C14 | 179.4° | 179.7° |
| N6 | C9 | C10 | C11 | 179.8° | 179.7° |
| N6 | C9 | C14 | C13 | 179.7° | 179.6° |
| N6 | C9 | C14 | H12 | 0.3° | 0.4° |
| C18 | O1 | C17 | H16 | 59.3° | 61.2° |
| C18 | O1 | C17 | H17 | 178.8° | 178.6° |
| O1 | C18 | H19 | H18 | 118.3° | 120.1° |
| O1 | C18 | C19 | H20 | 170.8° | 176.7° |
| O1 | C18 | C19 | H21 | 69.0° | 63.1° |
| N7 | C10 | C9 | C11 | 179.9° | 180.0° |
| N7 | C10 | C9 | C14 | 179.5° | 180.0° |
| N7 | C10 | C11 | C12 | 179.7° | 180.0° |
| N7 | C10 | C11 | H9 | 0.3° | 0.0° |
| C10 | C9 | C14 | C13 | 0.4° | 0.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C14 | H12 | 179.6° | 180.0° |
| C9 | C10 | C11 | H9 | 179.8° | 180.0° |
| C9 | C10 | N7 | H13 | 179.5° | 180.0° |
| C14 | C9 | C10 | C11 | 0.4° | 0.1° |
| C9 | C14 | C13 | H12 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.2° | 0.0° |
| C9 | C14 | C13 | H11 | 179.8° | 179.9° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | N7 | H13 | 0.3° | 0.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | H12 | 179.8° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| H7 | C7 | N5 | H6 | 115.1° | 120.0° |
| H8 | C7 | N5 | H6 | 125.1° | 120.0° |
| H10 | C12 | C11 | H9 | 0.0° | 0.1° |
| H10 | C12 | C13 | H11 | 0.0° | 0.0° |
| H12 | C14 | C13 | H11 | 0.2° | 0.1° |
| H15 | C16 | C17 | H16 | 56.1° | 177.0° |
| H15 | C16 | C17 | H17 | 63.4° | 56.8° |
| H14 | C16 | C17 | H16 | 176.4° | 56.9° |
| H14 | C16 | C17 | H17 | 56.9° | 63.3° |
| H19 | C18 | C19 | H20 | 50.2° | 63.3° |
| H19 | C18 | C19 | H21 | 170.5° | 56.8° |
| H18 | C18 | C19 | H20 | 68.7° | 56.8° |
| H18 | C18 | C19 | H21 | 51.6° | 176.9° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
