KG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C17 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.48Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C5 | N | sing | 1.47Å | 1.47Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | S | sing | 1.81Å | 1.78Å | |
| C20 | C23 | sing | 1.47Å | 1.47Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N3 | trip | 1.14Å | 1.14Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.5° | 119.5° |
| C12 | C13 | C14 | 120.6° | 121.1° |
| C12 | C13 | H8 | 119.7° | 119.4° |
| C13 | C12 | H20 | 119.7° | 120.3° |
| C12 | C11 | C10 | 123.1° | 122.0° |
| C12 | C11 | C16 | 119.2° | 119.3° |
| C11 | C12 | H20 | 119.7° | 120.2° |
| C13 | C14 | C15 | 120.7° | 121.0° |
| C14 | C13 | H8 | 119.7° | 119.5° |
| C13 | C14 | H19 | 119.6° | 119.5° |
| C11 | C10 | N2 | 124.2° | 120.2° |
| C10 | C11 | C16 | 117.8° | 118.6° |
| C11 | C10 | H7 | 117.9° | 119.9° |
| C10 | N2 | C9 | 117.5° | 122.9° |
| N2 | C10 | H7 | 117.9° | 119.9° |
| C11 | C16 | C15 | 118.0° | 119.6° |
| C11 | C16 | C8 | 118.1° | 118.2° |
| C14 | C15 | C16 | 121.0° | 119.5° |
| C14 | C15 | H9 | 119.5° | 120.3° |
| C15 | C14 | H19 | 119.7° | 119.5° |
| N2 | C9 | C8 | 125.2° | 121.6° |
| N2 | C9 | H21 | 117.4° | 119.2° |
| C15 | C16 | C8 | 123.9° | 122.2° |
| C16 | C15 | H9 | 119.5° | 120.3° |
| C16 | C8 | C9 | 117.2° | 118.4° |
| C16 | C8 | N1 | 119.3° | 120.8° |
| C9 | C8 | N1 | 123.2° | 120.8° |
| C8 | C9 | H21 | 117.4° | 119.2° |
| C8 | N1 | C7 | 127.6° | 120.0° |
| C8 | N1 | H1 | 116.2° | 120.0° |
| N1 | C7 | C6 | 115.1° | 120.0° |
| N1 | C7 | O | 122.7° | 120.0° |
| C7 | N1 | H1 | 116.2° | 120.0° |
| C6 | C7 | O | 122.1° | 120.0° |
| C7 | C6 | C5 | 108.1° | 109.2° |
| C7 | C6 | C17 | 110.0° | 109.2° |
| C7 | C6 | H6 | 109.3° | 109.2° |
| C5 | C6 | C17 | 110.8° | 110.8° |
| C6 | C5 | N | 106.4° | 107.9° |
| C6 | C5 | H4 | 110.2° | 109.8° |
| C6 | C5 | H5 | 110.2° | 109.8° |
| C5 | C6 | H6 | 109.3° | 109.2° |
| C6 | C17 | C18 | 120.7° | 117.6° |
| C6 | C17 | C3 | 120.1° | 122.9° |
| C17 | C6 | H6 | 109.3° | 109.2° |
| C21 | C22 | C20 | 60.7° | 60.0° |
| C22 | C21 | C20 | 60.7° | 60.0° |
| C22 | C21 | H10 | 119.9° | 117.6° |
| C22 | C21 | H11 | 119.9° | 117.5° |
| C21 | C22 | H12 | 119.9° | 117.5° |
| C21 | C22 | H13 | 119.9° | 117.5° |
| C22 | C20 | C21 | 58.6° | 60.0° |
| C22 | C20 | C19 | 121.4° | 117.5° |
| C22 | C20 | C23 | 116.0° | 117.5° |
| C20 | C22 | H12 | 119.9° | 117.5° |
| C20 | C22 | H13 | 119.9° | 117.5° |
| C5 | N | S | 124.3° | 121.3° |
| C5 | N | C4 | 114.3° | 117.3° |
| N | C5 | H4 | 110.2° | 109.8° |
| N | C5 | H5 | 110.2° | 109.8° |
| O1 | S | C19 | 108.8° | 110.5° |
| O1 | S | N | 107.0° | 104.3° |
| O1 | S | O2 | 119.2° | 121.0° |
| C21 | C20 | C19 | 119.5° | 117.5° |
| C21 | C20 | C23 | 115.8° | 117.5° |
| C20 | C21 | H10 | 119.9° | 117.5° |
| C20 | C21 | H11 | 119.9° | 117.5° |
| C20 | C19 | S | 117.9° | 109.5° |
| C19 | C20 | C23 | 114.4° | 115.6° |
| C20 | C19 | H14 | 107.3° | 109.4° |
| C20 | C19 | H15 | 107.3° | 109.5° |
| C19 | S | N | 106.2° | 104.4° |
| C19 | S | O2 | 107.7° | 110.6° |
| S | C19 | H14 | 107.3° | 109.5° |
| S | C19 | H15 | 107.3° | 109.5° |
| C20 | C23 | N3 | 177.6° | 179.9° |
| N | S | O2 | 107.2° | 104.3° |
| S | N | C4 | 118.1° | 121.4° |
| N | C4 | C3 | 109.2° | 109.7° |
| N | C4 | H2 | 109.5° | 109.5° |
| N | C4 | H3 | 109.5° | 109.4° |
| C18 | C17 | C3 | 119.1° | 119.5° |
| C17 | C18 | C | 119.5° | 120.5° |
| C17 | C18 | H18 | 120.2° | 119.7° |
| C17 | C3 | C4 | 122.1° | 122.3° |
| C17 | C3 | C2 | 119.4° | 119.9° |
| C18 | C | CL | 119.3° | 120.1° |
| C18 | C | C1 | 121.8° | 119.8° |
| C | C18 | H18 | 120.2° | 119.7° |
| C4 | C3 | C2 | 118.4° | 117.8° |
| C3 | C4 | H2 | 109.5° | 109.4° |
| C3 | C4 | H3 | 109.5° | 109.4° |
| C3 | C2 | C1 | 121.1° | 120.5° |
| C3 | C2 | H16 | 119.4° | 119.8° |
| CL | C | C1 | 118.9° | 120.1° |
| C | C1 | C2 | 119.0° | 119.7° |
| C | C1 | H17 | 120.5° | 120.1° |
| C1 | C2 | H16 | 119.4° | 119.7° |
| C2 | C1 | H17 | 120.5° | 120.1° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.8° |
| H10 | C21 | H11 | 109.4° | 115.5° |
| H12 | C22 | H13 | 109.5° | 115.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 178.9° | 180.0° |
| C13 | C12 | C11 | C16 | 1.3° | 0.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H19 | 178.7° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | C10 | C16 | 179.8° | 180.0° |
| C12 | C11 | C10 | N2 | 178.7° | 179.6° |
| C12 | C11 | C16 | C15 | 2.5° | 0.1° |
| C12 | C11 | C16 | C8 | 177.1° | 179.9° |
| C12 | C11 | C10 | H7 | 1.3° | 0.1° |
| C11 | C12 | C13 | H8 | 179.4° | 180.0° |
| C13 | C14 | C15 | H19 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | H20 | 179.4° | 180.0° |
| C11 | C10 | N2 | H7 | 180.0° | 179.6° |
| C11 | C10 | N2 | C9 | 0.5° | 0.4° |
| C10 | C11 | C16 | C15 | 177.7° | 180.0° |
| C10 | C11 | C16 | C8 | 2.7° | 0.1° |
| C10 | C11 | C12 | H20 | 1.1° | 0.0° |
| N2 | C10 | C11 | C16 | 1.1° | 0.4° |
| C10 | N2 | C9 | C8 | 0.3° | 0.1° |
| C10 | N2 | C9 | H21 | 179.7° | 180.0° |
| C11 | C16 | C15 | C14 | 1.9° | 0.1° |
| C11 | C16 | C15 | C8 | 179.6° | 179.8° |
| C11 | C16 | C8 | C9 | 2.8° | 0.2° |
| C11 | C16 | C8 | N1 | 170.9° | 180.0° |
| C16 | C11 | C10 | H7 | 178.9° | 180.0° |
| C11 | C16 | C15 | H9 | 178.1° | 180.0° |
| C16 | C11 | C12 | H20 | 178.7° | 180.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | C8 | 177.7° | 180.0° |
| C15 | C14 | C13 | H8 | 178.6° | 180.0° |
| N2 | C9 | C8 | C16 | 1.4° | 0.2° |
| N2 | C9 | C8 | H21 | 180.0° | 179.9° |
| N2 | C9 | C8 | N1 | 172.0° | 180.0° |
| C9 | N2 | C10 | H7 | 179.5° | 180.0° |
| C15 | C16 | C8 | C9 | 177.6° | 179.7° |
| C15 | C16 | C8 | N1 | 8.7° | 0.1° |
| C16 | C15 | C14 | H19 | 179.9° | 180.0° |
| C16 | C8 | C9 | N1 | 173.4° | 179.8° |
| C16 | C8 | N1 | C7 | 104.1° | 145.2° |
| C16 | C8 | N1 | H1 | 75.9° | 35.1° |
| C8 | C16 | C15 | H9 | 2.3° | 0.2° |
| C16 | C8 | C9 | H21 | 178.7° | 179.7° |
| C9 | C8 | N1 | C7 | 69.2° | 34.6° |
| C9 | C8 | N1 | H1 | 110.8° | 145.1° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C6 | 179.1° | 175.9° |
| C8 | N1 | C7 | O | 1.6° | 4.1° |
| N1 | C8 | C9 | H21 | 7.9° | 0.1° |
| N1 | C7 | C6 | O | 177.5° | 180.0° |
| N1 | C7 | C6 | C5 | 80.9° | 180.0° |
| N1 | C7 | C6 | C17 | 157.9° | 58.7° |
| N1 | C7 | C6 | H6 | 37.9° | 60.6° |
| C7 | C6 | C5 | C17 | 120.7° | 120.3° |
| C7 | C6 | C5 | H6 | 118.8° | 119.3° |
| C7 | C6 | C17 | H6 | 120.0° | 119.3° |
| C7 | C6 | C5 | N | 68.3° | 72.9° |
| C7 | C6 | C17 | C18 | 82.7° | 79.2° |
| C7 | C6 | C17 | C3 | 93.3° | 100.6° |
| C6 | C7 | N1 | H1 | 0.8° | 4.5° |
| C7 | C6 | C5 | H4 | 51.2° | 46.7° |
| C7 | C6 | C5 | H5 | 172.1° | 167.5° |
| O | C7 | C6 | C5 | 96.6° | 0.0° |
| O | C7 | C6 | C17 | 24.5° | 121.4° |
| O | C7 | N1 | H1 | 178.3° | 175.6° |
| O | C7 | C6 | H6 | 144.6° | 119.3° |
| C5 | C6 | C17 | H6 | 120.5° | 120.4° |
| C6 | C5 | N | H4 | 119.5° | 119.6° |
| C6 | C5 | N | H5 | 119.5° | 119.6° |
| C6 | C5 | N | S | 131.0° | 115.7° |
| C6 | C5 | N | C4 | 69.8° | 64.4° |
| C5 | C6 | C17 | C18 | 157.8° | 160.4° |
| C5 | C6 | C17 | C3 | 26.2° | 19.7° |
| C6 | C5 | H4 | H5 | 121.4° | 120.8° |
| C17 | C6 | C5 | N | 52.3° | 47.4° |
| C6 | C17 | C18 | C3 | 176.0° | 179.9° |
| C6 | C17 | C18 | C | 173.1° | 179.5° |
| C6 | C17 | C3 | C4 | 10.5° | 0.8° |
| C6 | C17 | C3 | C2 | 172.5° | 179.4° |
| C17 | C6 | C5 | H4 | 171.8° | 167.0° |
| C17 | C6 | C5 | H5 | 67.2° | 72.2° |
| C6 | C17 | C18 | H18 | 6.9° | 0.4° |
| C21 | C22 | C20 | H12 | 109.7° | 107.5° |
| C21 | C22 | C20 | H13 | 109.6° | 107.5° |
| C22 | C21 | C20 | H10 | 109.7° | 107.5° |
| C22 | C21 | C20 | H11 | 109.7° | 107.5° |
| C22 | C21 | C20 | C19 | 110.9° | 107.5° |
| C21 | C22 | C20 | C23 | 105.6° | 107.4° |
| C22 | C21 | H10 | H11 | 144.3° | 145.7° |
| C21 | C22 | H12 | H13 | 144.4° | 145.7° |
| C22 | C20 | C19 | C23 | 147.3° | 145.7° |
| C22 | C20 | C19 | S | 135.3° | 111.3° |
| C22 | C20 | C23 | N3 | 63.7° | 103.7° |
| C20 | C22 | H12 | H13 | 144.4° | 145.7° |
| C22 | C20 | C19 | H14 | 14.1° | 128.7° |
| C22 | C20 | C19 | H15 | 103.5° | 8.7° |
| C5 | N | S | O1 | 25.4° | 26.1° |
| C5 | N | S | C19 | 90.7° | 90.0° |
| C5 | N | S | C4 | 158.4° | 180.0° |
| C5 | N | S | O2 | 154.4° | 153.9° |
| C5 | N | C4 | C3 | 52.4° | 44.3° |
| C5 | N | C4 | H2 | 172.3° | 164.4° |
| C5 | N | C4 | H3 | 67.6° | 75.7° |
| N | C5 | H4 | H5 | 121.4° | 120.8° |
| N | C5 | C6 | H6 | 172.8° | 167.8° |
| O1 | S | C19 | C20 | 82.2° | 68.4° |
| O1 | S | C19 | N | 114.9° | 111.6° |
| O1 | S | C19 | O2 | 130.5° | 136.7° |
| O1 | S | N | O2 | 129.0° | 127.9° |
| O1 | S | N | C4 | 133.0° | 154.0° |
| O1 | S | C19 | H14 | 39.0° | 171.6° |
| O1 | S | C19 | H15 | 156.6° | 51.6° |
| C21 | C20 | C19 | C23 | 143.5° | 145.7° |
| C21 | C20 | C19 | S | 66.1° | 179.9° |
| C21 | C20 | C23 | N3 | 129.7° | 172.2° |
| C20 | C21 | H10 | H11 | 144.4° | 145.6° |
| C21 | C20 | C19 | H14 | 55.1° | 60.1° |
| C21 | C20 | C19 | H15 | 172.7° | 59.9° |
| C20 | C19 | S | H14 | 121.2° | 120.0° |
| C20 | C19 | S | H15 | 121.2° | 120.0° |
| C20 | C19 | S | N | 162.9° | 180.0° |
| C20 | C19 | S | O2 | 48.3° | 68.3° |
| C19 | C20 | C23 | N3 | 85.4° | 42.1° |
| C19 | C20 | C21 | H10 | 139.4° | 0.0° |
| C19 | C20 | C21 | H11 | 1.3° | 145.0° |
| C19 | C20 | C22 | H12 | 2.1° | 145.0° |
| C19 | C20 | C22 | H13 | 142.8° | 0.0° |
| C20 | C19 | H14 | H15 | 116.2° | 120.0° |
| S | C19 | C20 | C23 | 77.4° | 34.4° |
| C19 | S | N | O2 | 114.9° | 116.1° |
| C19 | S | N | C4 | 110.9° | 90.0° |
| S | C19 | H14 | H15 | 116.2° | 120.0° |
| C23 | C20 | C21 | H10 | 3.6° | 145.0° |
| C23 | C20 | C21 | H11 | 144.3° | 0.1° |
| C23 | C20 | C22 | H12 | 144.7° | 0.1° |
| C23 | C20 | C22 | H13 | 4.1° | 145.1° |
| C23 | C20 | C19 | H14 | 161.4° | 85.6° |
| C23 | C20 | C19 | H15 | 43.8° | 154.4° |
| S | N | C4 | C3 | 147.1° | 135.7° |
| S | N | C4 | H2 | 27.1° | 15.6° |
| S | N | C4 | H3 | 93.0° | 104.3° |
| S | N | C5 | H4 | 11.5° | 3.9° |
| S | N | C5 | H5 | 109.5° | 124.7° |
| N | S | C19 | H14 | 75.9° | 60.0° |
| N | S | C19 | H15 | 41.7° | 60.0° |
| O2 | S | N | C4 | 4.0° | 26.1° |
| O2 | S | C19 | H14 | 169.5° | 51.6° |
| O2 | S | C19 | H15 | 72.9° | 171.6° |
| N | C4 | C3 | C17 | 21.4° | 11.1° |
| N | C4 | C3 | H2 | 120.0° | 120.1° |
| N | C4 | C3 | H3 | 120.0° | 120.1° |
| N | C4 | C3 | C2 | 161.5° | 169.0° |
| N | C4 | H2 | H3 | 120.1° | 119.9° |
| C4 | N | C5 | H4 | 170.6° | 176.1° |
| C4 | N | C5 | H5 | 49.7° | 55.3° |
| C17 | C18 | C | H18 | 180.0° | 179.9° |
| C18 | C17 | C3 | C4 | 173.4° | 179.4° |
| C18 | C17 | C3 | C2 | 3.6° | 0.5° |
| C17 | C18 | C | CL | 178.9° | 180.0° |
| C17 | C18 | C | C1 | 0.3° | 0.0° |
| C18 | C17 | C6 | H6 | 37.3° | 40.0° |
| C3 | C17 | C18 | C | 2.9° | 0.4° |
| C17 | C3 | C4 | C2 | 177.0° | 179.9° |
| C17 | C3 | C2 | C1 | 1.7° | 0.3° |
| C17 | C3 | C4 | H2 | 141.4° | 131.2° |
| C17 | C3 | C4 | H3 | 98.6° | 109.0° |
| C3 | C17 | C6 | H6 | 146.7° | 140.1° |
| C17 | C3 | C2 | H16 | 178.3° | 179.7° |
| C3 | C17 | C18 | H18 | 177.1° | 179.7° |
| C18 | C | CL | C1 | 179.2° | 179.9° |
| C18 | C | C1 | C2 | 1.7° | 0.1° |
| C18 | C | C1 | H17 | 178.4° | 179.8° |
| C4 | C3 | C2 | C1 | 175.5° | 179.6° |
| C3 | C4 | H2 | H3 | 120.1° | 119.8° |
| C4 | C3 | C2 | H16 | 4.6° | 0.4° |
| C3 | C2 | C1 | C | 0.9° | 0.0° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 41.6° | 48.9° |
| C2 | C3 | C4 | H3 | 78.5° | 70.9° |
| C3 | C2 | C1 | H17 | 179.1° | 179.9° |
| CL | C | C1 | C2 | 179.2° | 179.8° |
| CL | C | C1 | H17 | 0.8° | 0.3° |
| CL | C | C18 | H18 | 1.1° | 0.1° |
| C | C1 | C2 | H17 | 180.0° | 179.9° |
| C | C1 | C2 | H16 | 179.1° | 180.0° |
| C1 | C | C18 | H18 | 179.7° | 180.0° |
| H4 | C5 | C6 | H6 | 67.7° | 72.6° |
| H5 | C5 | C6 | H6 | 53.3° | 48.2° |
| H8 | C13 | C14 | H19 | 1.4° | 0.1° |
| H8 | C13 | C12 | H20 | 0.6° | 0.0° |
| H9 | C15 | C14 | H19 | 0.0° | 0.1° |
| H10 | C21 | C22 | H12 | 140.6° | 145.0° |
| H10 | C21 | C22 | H13 | 0.0° | 0.0° |
| H11 | C21 | C22 | H12 | 0.0° | 0.0° |
| H11 | C21 | C22 | H13 | 140.7° | 145.0° |
| H16 | C2 | C1 | H17 | 0.9° | 0.1° |
