3K6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.34Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.46Å | 1.44Å | Aromatic |
| C21 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N3 | sing | 1.39Å | 1.43Å | |
| N3 | C1 | sing | 1.47Å | 1.48Å | |
| N3 | C14 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| C13 | N | sing | 1.35Å | 1.37Å | Aromatic |
| C13 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| N | N1 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | sing | 1.46Å | 1.47Å | |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.43Å | |
| N1 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.76Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | S | sing | 1.66Å | 1.63Å | |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N4 | C17 | 116.2° | 121.9° |
| N4 | C18 | N5 | 127.5° | 133.1° |
| N4 | C18 | C21 | 124.9° | 119.9° |
| N4 | C17 | C16 | 124.0° | 121.7° |
| N4 | C17 | H14 | 118.0° | 119.2° |
| C18 | N5 | C19 | 109.1° | 110.0° |
| N5 | C18 | C21 | 107.5° | 107.0° |
| C18 | N5 | H24 | 125.4° | 125.0° |
| N5 | C19 | C20 | 110.1° | 109.9° |
| N5 | C19 | H15 | 125.0° | 125.1° |
| C19 | N5 | H24 | 125.5° | 125.0° |
| C18 | C21 | C20 | 106.9° | 106.3° |
| C18 | C21 | C15 | 117.0° | 119.4° |
| C17 | C16 | C15 | 119.2° | 119.3° |
| C17 | C16 | H13 | 120.4° | 120.4° |
| C16 | C17 | H14 | 118.0° | 119.1° |
| C19 | C20 | C21 | 106.4° | 106.8° |
| C20 | C19 | H15 | 124.9° | 125.1° |
| C19 | C20 | H16 | 126.8° | 126.5° |
| C20 | C21 | C15 | 136.1° | 134.3° |
| C21 | C20 | H16 | 126.8° | 126.6° |
| C21 | C15 | C16 | 118.6° | 117.9° |
| C21 | C15 | N3 | 119.5° | 121.0° |
| C16 | C15 | N3 | 121.5° | 121.0° |
| C15 | C16 | H13 | 120.4° | 120.4° |
| C15 | N3 | C1 | 119.5° | 111.0° |
| C15 | N3 | C14 | 118.2° | 111.0° |
| C1 | N3 | C14 | 120.3° | 111.1° |
| N3 | C1 | C | 111.6° | 109.4° |
| N3 | C1 | C2 | 110.2° | 109.7° |
| N3 | C1 | H1 | 107.6° | 109.4° |
| N3 | C14 | C13 | 112.2° | 108.0° |
| N3 | C14 | H11 | 108.8° | 109.7° |
| N3 | C14 | H12 | 108.8° | 109.8° |
| C | C1 | C2 | 113.0° | 109.4° |
| C | C1 | H1 | 107.0° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.5° | 109.4° |
| C1 | C | H23 | 109.4° | 109.5° |
| C1 | C2 | N | 106.4° | 108.3° |
| C2 | C1 | H1 | 107.1° | 109.5° |
| C1 | C2 | H2 | 110.2° | 109.7° |
| C1 | C2 | H3 | 110.2° | 109.7° |
| C14 | C13 | N | 119.8° | 123.7° |
| C14 | C13 | C4 | 133.8° | 128.5° |
| C13 | C14 | H11 | 108.8° | 109.8° |
| C13 | C14 | H12 | 108.8° | 109.7° |
| C2 | N | C13 | 126.5° | 123.5° |
| C2 | N | N1 | 121.8° | 128.3° |
| N | C2 | H2 | 110.2° | 109.7° |
| N | C2 | H3 | 110.2° | 109.7° |
| N | C13 | C4 | 106.3° | 107.8° |
| C13 | N | N1 | 111.7° | 108.2° |
| C13 | C4 | C5 | 131.6° | 126.3° |
| C13 | C4 | C3 | 104.9° | 107.4° |
| N | N1 | C3 | 104.6° | 108.4° |
| C7 | C6 | C5 | 120.7° | 119.9° |
| C6 | C7 | C8 | 119.5° | 120.1° |
| C6 | C7 | H17 | 120.2° | 120.0° |
| C7 | C6 | H18 | 119.6° | 120.0° |
| C6 | C5 | C4 | 121.2° | 120.1° |
| C6 | C5 | C10 | 118.7° | 119.8° |
| C5 | C6 | H18 | 119.6° | 120.1° |
| C7 | C8 | S | 119.8° | 119.9° |
| C7 | C8 | C9 | 120.6° | 120.3° |
| C8 | C7 | H17 | 120.2° | 119.9° |
| C11 | N2 | S | 118.9° | 120.0° |
| C11 | N2 | C12 | 114.8° | 120.0° |
| N2 | C11 | H5 | 109.5° | 109.4° |
| N2 | C11 | H6 | 109.5° | 109.5° |
| N2 | C11 | H7 | 109.5° | 109.4° |
| C5 | C4 | C3 | 123.1° | 126.3° |
| C4 | C5 | C10 | 120.0° | 120.1° |
| C4 | C3 | N1 | 112.4° | 108.2° |
| C4 | C3 | H4 | 123.8° | 125.9° |
| C5 | C10 | C9 | 120.9° | 119.9° |
| C5 | C10 | H20 | 119.6° | 120.0° |
| O1 | S | C8 | 108.0° | 106.4° |
| O1 | S | N2 | 107.2° | 106.4° |
| O1 | S | O | 119.5° | 123.2° |
| N1 | C3 | H4 | 123.8° | 126.0° |
| S | C8 | C9 | 119.5° | 119.9° |
| C8 | S | N2 | 107.1° | 107.2° |
| C8 | S | O | 107.5° | 106.4° |
| C8 | C9 | C10 | 119.5° | 120.1° |
| C8 | C9 | H19 | 120.3° | 120.0° |
| S | N2 | C12 | 118.2° | 120.0° |
| N2 | S | O | 107.1° | 106.4° |
| N2 | C12 | H8 | 109.5° | 109.5° |
| N2 | C12 | H9 | 109.5° | 109.5° |
| N2 | C12 | H10 | 109.5° | 109.5° |
| C10 | C9 | H19 | 120.2° | 119.9° |
| C9 | C10 | H20 | 119.6° | 120.1° |
| H2 | C2 | H3 | 109.5° | 109.7° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H10 | 109.4° | 109.4° |
| H11 | C14 | H12 | 109.4° | 109.8° |
| H21 | C | H22 | 109.5° | 109.4° |
| H21 | C | H23 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C18 | N5 | C21 | 178.4° | 180.0° |
| N4 | C18 | N5 | C19 | 178.5° | 180.0° |
| C18 | N4 | C17 | C16 | 0.9° | 0.2° |
| N4 | C18 | C21 | C20 | 178.8° | 180.0° |
| N4 | C18 | C21 | C15 | 1.0° | 0.0° |
| C18 | N4 | C17 | H14 | 179.1° | 179.7° |
| N4 | C18 | N5 | H24 | 1.5° | 0.0° |
| C17 | N4 | C18 | N5 | 178.9° | 179.8° |
| C17 | N4 | C18 | C21 | 0.7° | 0.2° |
| N4 | C17 | C16 | H14 | 180.0° | 180.0° |
| N4 | C17 | C16 | C15 | 0.6° | 0.0° |
| N4 | C17 | C16 | H13 | 179.4° | 180.0° |
| C18 | N5 | C19 | H24 | 180.0° | 180.0° |
| C18 | N5 | C19 | C20 | 0.3° | 0.0° |
| N5 | C18 | C21 | C20 | 0.3° | 0.0° |
| N5 | C18 | C21 | C15 | 177.5° | 180.0° |
| C18 | N5 | C19 | H15 | 179.6° | 179.9° |
| C19 | N5 | C18 | C21 | 0.0° | 0.0° |
| N5 | C19 | C20 | H15 | 180.0° | 179.9° |
| N5 | C19 | C20 | C21 | 0.5° | 0.0° |
| N5 | C19 | C20 | H16 | 179.5° | 180.0° |
| C18 | C21 | C20 | C19 | 0.5° | 0.0° |
| C18 | C21 | C20 | C15 | 177.2° | 179.9° |
| C18 | C21 | C15 | C16 | 2.5° | 0.2° |
| C18 | C21 | C15 | N3 | 170.4° | 180.0° |
| C18 | C21 | C20 | H16 | 179.5° | 180.0° |
| C21 | C18 | N5 | H24 | 180.0° | 180.0° |
| C17 | C16 | C15 | C21 | 2.3° | 0.2° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | N3 | 170.4° | 180.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | C15 | 176.7° | 180.0° |
| C20 | C19 | N5 | H24 | 179.7° | 180.0° |
| C20 | C21 | C15 | C16 | 179.5° | 179.9° |
| C20 | C21 | C15 | N3 | 6.6° | 0.0° |
| C21 | C20 | C19 | H15 | 179.5° | 179.9° |
| C21 | C15 | C16 | N3 | 172.7° | 179.8° |
| C21 | C15 | N3 | C1 | 47.2° | 77.3° |
| C21 | C15 | N3 | C14 | 148.6° | 158.6° |
| C21 | C15 | C16 | H13 | 177.7° | 179.8° |
| C15 | C21 | C20 | H16 | 3.3° | 0.1° |
| C16 | C15 | N3 | C1 | 125.4° | 102.9° |
| C16 | C15 | N3 | C14 | 38.8° | 21.2° |
| C15 | C16 | C17 | H14 | 179.4° | 180.0° |
| C15 | N3 | C1 | C14 | 163.9° | 124.0° |
| C15 | N3 | C1 | C | 88.4° | 74.7° |
| C15 | N3 | C1 | C2 | 145.1° | 165.3° |
| C15 | N3 | C14 | C13 | 178.1° | 173.9° |
| C15 | N3 | C1 | H1 | 28.7° | 45.2° |
| C15 | N3 | C14 | H11 | 57.7° | 54.3° |
| C15 | N3 | C14 | H12 | 61.5° | 66.4° |
| N3 | C15 | C16 | H13 | 9.6° | 0.1° |
| N3 | C1 | C | C2 | 124.9° | 120.2° |
| N3 | C1 | C | H1 | 117.4° | 119.8° |
| N3 | C1 | C2 | H1 | 116.7° | 120.0° |
| C1 | N3 | C14 | C13 | 17.8° | 49.8° |
| N3 | C1 | C2 | N | 53.5° | 49.9° |
| N3 | C1 | C2 | H2 | 173.0° | 169.6° |
| N3 | C1 | C2 | H3 | 66.1° | 69.8° |
| C1 | N3 | C14 | H11 | 138.3° | 69.8° |
| C1 | N3 | C14 | H12 | 102.6° | 169.5° |
| N3 | C1 | C | H21 | 180.0° | 66.1° |
| N3 | C1 | C | H22 | 60.0° | 53.9° |
| N3 | C1 | C | H23 | 60.0° | 173.9° |
| C14 | N3 | C1 | C | 75.5° | 49.3° |
| C14 | N3 | C1 | C2 | 51.0° | 70.7° |
| N3 | C14 | C13 | H11 | 120.4° | 119.6° |
| N3 | C14 | C13 | H12 | 120.4° | 119.7° |
| N3 | C14 | C13 | N | 8.8° | 15.5° |
| N3 | C14 | C13 | C4 | 169.3° | 164.4° |
| C14 | N3 | C1 | H1 | 167.4° | 169.2° |
| N3 | C14 | H11 | H12 | 118.7° | 120.8° |
| C | C1 | C2 | H1 | 117.6° | 120.0° |
| C | C1 | C2 | N | 72.2° | 70.1° |
| C | C1 | C2 | H2 | 47.3° | 49.6° |
| C | C1 | C2 | H3 | 168.2° | 170.2° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | N | H2 | 119.5° | 119.7° |
| C1 | C2 | N | H3 | 119.5° | 119.7° |
| C1 | C2 | N | C13 | 32.0° | 16.5° |
| C1 | C2 | N | N1 | 146.0° | 163.4° |
| C1 | C2 | H2 | H3 | 121.4° | 120.6° |
| C2 | C1 | C | H21 | 55.1° | 54.1° |
| C2 | C1 | C | H22 | 64.9° | 174.1° |
| C2 | C1 | C | H23 | 175.0° | 65.9° |
| C14 | C13 | N | C2 | 0.1° | 0.3° |
| C14 | C13 | N | C4 | 178.5° | 179.9° |
| C14 | C13 | N | N1 | 178.1° | 179.8° |
| C14 | C13 | C4 | C5 | 9.3° | 0.2° |
| C14 | C13 | C4 | C3 | 177.3° | 179.8° |
| C13 | C14 | H11 | H12 | 118.7° | 120.7° |
| C2 | N | C13 | N1 | 178.2° | 180.0° |
| C2 | N | C13 | C4 | 178.7° | 179.8° |
| C2 | N | N1 | C3 | 178.0° | 179.8° |
| N | C2 | C1 | H1 | 170.2° | 169.9° |
| N | C2 | H2 | H3 | 121.4° | 120.6° |
| N | C13 | C4 | C5 | 172.4° | 179.9° |
| N | C13 | C4 | C3 | 1.0° | 0.1° |
| C13 | N | N1 | C3 | 0.3° | 0.2° |
| C13 | N | C2 | H2 | 151.6° | 136.2° |
| C13 | N | C2 | H3 | 87.5° | 103.2° |
| N | C13 | C14 | H11 | 111.7° | 104.0° |
| N | C13 | C14 | H12 | 129.2° | 135.2° |
| C4 | C13 | N | N1 | 0.5° | 0.2° |
| C13 | C4 | C5 | C6 | 27.7° | 130.1° |
| C13 | C4 | C5 | C3 | 172.4° | 179.9° |
| C13 | C4 | C5 | C10 | 149.5° | 49.7° |
| C13 | C4 | C3 | N1 | 1.2° | 0.0° |
| C13 | C4 | C3 | H4 | 178.7° | 179.9° |
| C4 | C13 | C14 | H11 | 70.2° | 76.1° |
| C4 | C13 | C14 | H12 | 48.9° | 44.7° |
| N | N1 | C3 | C4 | 0.9° | 0.1° |
| N1 | N | C2 | H2 | 26.5° | 43.8° |
| N1 | N | C2 | H3 | 94.5° | 76.9° |
| N | N1 | C3 | H4 | 179.0° | 180.0° |
| C7 | C6 | C5 | H18 | 180.0° | 180.0° |
| C6 | C7 | C8 | H17 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 176.0° | 180.0° |
| C7 | C6 | C5 | C10 | 1.2° | 0.2° |
| C6 | C7 | C8 | S | 177.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C5 | C6 | C7 | C8 | 1.0° | 0.1° |
| C6 | C5 | C4 | C10 | 177.2° | 179.8° |
| C6 | C5 | C4 | C3 | 160.0° | 50.0° |
| C6 | C5 | C10 | C9 | 1.0° | 0.3° |
| C5 | C6 | C7 | H17 | 179.0° | 180.0° |
| C6 | C5 | C10 | H20 | 179.0° | 179.8° |
| C7 | C8 | S | O1 | 50.8° | 156.8° |
| C7 | C8 | S | C9 | 177.5° | 179.7° |
| C7 | C8 | S | N2 | 64.3° | 89.7° |
| C7 | C8 | S | O | 179.0° | 23.8° |
| C7 | C8 | C9 | C10 | 0.2° | 0.3° |
| C8 | C7 | C6 | H18 | 179.0° | 180.0° |
| C7 | C8 | C9 | H19 | 179.8° | 179.6° |
| C11 | N2 | S | O1 | 36.6° | 156.5° |
| C11 | N2 | S | C8 | 79.1° | 90.0° |
| C11 | N2 | S | C12 | 147.1° | 180.0° |
| C11 | N2 | S | O | 165.9° | 23.6° |
| N2 | C11 | H5 | H6 | 120.0° | 120.0° |
| N2 | C11 | H5 | H7 | 120.0° | 119.9° |
| N2 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | N2 | C12 | H8 | 180.0° | 90.0° |
| C11 | N2 | C12 | H9 | 60.0° | 149.9° |
| C11 | N2 | C12 | H10 | 60.0° | 30.0° |
| C5 | C4 | C3 | N1 | 172.9° | 180.0° |
| C4 | C5 | C10 | C9 | 176.2° | 180.0° |
| C5 | C4 | C3 | H4 | 7.2° | 0.0° |
| C4 | C5 | C6 | H18 | 4.1° | 0.0° |
| C4 | C5 | C10 | H20 | 3.8° | 0.0° |
| C3 | C4 | C5 | C10 | 22.9° | 130.2° |
| C4 | C3 | N1 | H4 | 180.0° | 180.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.0° |
| C5 | C10 | C9 | H20 | 180.0° | 180.0° |
| C10 | C5 | C6 | H18 | 178.8° | 179.7° |
| C5 | C10 | C9 | H19 | 179.5° | 179.9° |
| O1 | S | C8 | N2 | 115.1° | 113.5° |
| O1 | S | C8 | O | 130.1° | 133.0° |
| O1 | S | C8 | C9 | 131.6° | 23.5° |
| O1 | S | N2 | O | 129.3° | 132.9° |
| O1 | S | N2 | C12 | 110.5° | 23.5° |
| C8 | S | N2 | O | 115.0° | 113.6° |
| C8 | S | N2 | C12 | 133.9° | 90.0° |
| S | C8 | C9 | C10 | 177.3° | 180.0° |
| S | C8 | C7 | H17 | 3.0° | 0.0° |
| S | C8 | C9 | H19 | 2.7° | 0.1° |
| C9 | C8 | S | N2 | 113.2° | 90.0° |
| C9 | C8 | S | O | 1.5° | 156.5° |
| C8 | C9 | C10 | H19 | 180.0° | 179.9° |
| C9 | C8 | C7 | H17 | 179.5° | 179.8° |
| C8 | C9 | C10 | H20 | 179.5° | 180.0° |
| S | N2 | C11 | H5 | 180.0° | 90.0° |
| S | N2 | C11 | H6 | 60.0° | 150.0° |
| S | N2 | C11 | H7 | 60.0° | 30.0° |
| S | N2 | C12 | H8 | 31.6° | 90.0° |
| S | N2 | C12 | H9 | 88.4° | 30.1° |
| S | N2 | C12 | H10 | 151.7° | 150.0° |
| C12 | N2 | S | O | 18.8° | 156.4° |
| C12 | N2 | C11 | H5 | 31.9° | 90.0° |
| C12 | N2 | C11 | H6 | 88.2° | 30.0° |
| C12 | N2 | C11 | H7 | 151.8° | 150.0° |
| N2 | C12 | H8 | H9 | 120.0° | 120.1° |
| N2 | C12 | H8 | H10 | 120.0° | 120.0° |
| N2 | C12 | H9 | H10 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 70.3° | 70.4° |
| H1 | C1 | C2 | H3 | 50.7° | 50.2° |
| H1 | C1 | C | H21 | 62.5° | 174.1° |
| H1 | C1 | C | H22 | 177.5° | 65.9° |
| H1 | C1 | C | H23 | 57.4° | 54.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.1° |
| H8 | C12 | H9 | H10 | 120.0° | 119.9° |
| H13 | C16 | C17 | H14 | 0.6° | 0.0° |
| H15 | C19 | C20 | H16 | 0.5° | 0.0° |
| H15 | C19 | N5 | H24 | 0.4° | 0.1° |
| H17 | C7 | C6 | H18 | 1.0° | 0.1° |
| H19 | C9 | C10 | H20 | 0.5° | 0.1° |
| H21 | C | H22 | H23 | 120.0° | 120.0° |
