KXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.55Å | 1.52Å | |
| C18 | C19 | sing | 1.55Å | 1.52Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C17 | N2 | sing | 1.43Å | 1.48Å | |
| C19 | C20 | sing | 1.50Å | 1.52Å | |
| C | N | sing | 1.35Å | 1.36Å | Aromatic |
| C | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| N | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.52Å | 1.52Å | |
| O1 | C10 | doub | 1.22Å | 1.23Å | |
| O | C3 | doub | 1.21Å | 1.22Å | |
| N2 | C22 | sing | 1.50Å | 1.48Å | |
| N2 | S | sing | 1.66Å | 1.63Å | |
| C2 | C3 | sing | 1.46Å | 1.47Å | |
| C2 | C8 | sing | 1.42Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.46Å | 1.52Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| S | C16 | sing | 1.76Å | 1.76Å | |
| S | O3 | doub | 1.42Å | 1.43Å | |
| C23 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | sing | 1.52Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| N | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 115.1° | 110.2° |
| C18 | C17 | N2 | 113.5° | 116.1° |
| C18 | C17 | H18 | 108.5° | 108.2° |
| C18 | C17 | H19 | 108.5° | 108.1° |
| C17 | C18 | H20 | 108.1° | 109.4° |
| C17 | C18 | H21 | 108.0° | 109.3° |
| C18 | C19 | C20 | 116.0° | 110.8° |
| C19 | C18 | H20 | 108.1° | 109.4° |
| C19 | C18 | H21 | 108.1° | 109.3° |
| C18 | C19 | H22 | 107.8° | 109.2° |
| C18 | C19 | H23 | 107.8° | 109.2° |
| C1 | C | N | 121.0° | 125.9° |
| C1 | C | C2 | 131.4° | 126.0° |
| C | C1 | H1 | 109.5° | 109.5° |
| C | C1 | H2 | 109.4° | 109.5° |
| C | C1 | H3 | 109.5° | 109.5° |
| C17 | N2 | C22 | 118.5° | 118.9° |
| C17 | N2 | S | 119.8° | 120.5° |
| N2 | C17 | H18 | 108.5° | 108.1° |
| N2 | C17 | H19 | 108.4° | 108.1° |
| C19 | C20 | C21 | 115.9° | 105.4° |
| C20 | C19 | H22 | 107.8° | 109.2° |
| C20 | C19 | H23 | 107.8° | 109.2° |
| C19 | C20 | H24 | 107.8° | 110.3° |
| C19 | C20 | H25 | 107.8° | 110.3° |
| N | C | C2 | 107.6° | 108.1° |
| C | N | C9 | 110.6° | 109.3° |
| C | N | H31 | 124.7° | 125.3° |
| C | C2 | C3 | 124.9° | 130.9° |
| C | C2 | C8 | 107.6° | 107.5° |
| N | C9 | C10 | 120.0° | 125.7° |
| N | C9 | C8 | 108.0° | 108.5° |
| C9 | N | H31 | 124.7° | 125.3° |
| C20 | C21 | C22 | 114.9° | 114.3° |
| C21 | C20 | H24 | 107.9° | 110.2° |
| C21 | C20 | H25 | 107.8° | 110.2° |
| C20 | C21 | H26 | 108.1° | 108.6° |
| C20 | C21 | H27 | 108.1° | 108.6° |
| O1 | C10 | C9 | 120.4° | 120.0° |
| O1 | C10 | N1 | 124.0° | 120.0° |
| O | C3 | C2 | 120.5° | 121.4° |
| O | C3 | C4 | 119.8° | 121.3° |
| C22 | N2 | S | 119.6° | 120.6° |
| N2 | C22 | C21 | 113.2° | 107.5° |
| N2 | C22 | H28 | 108.5° | 109.8° |
| N2 | C22 | H29 | 108.5° | 109.8° |
| N2 | S | O4 | 106.6° | 106.4° |
| N2 | S | C16 | 107.0° | 107.2° |
| N2 | S | O3 | 106.6° | 106.5° |
| C3 | C2 | C8 | 127.4° | 121.6° |
| C2 | C3 | C4 | 119.7° | 117.3° |
| C2 | C8 | C9 | 106.2° | 106.6° |
| C2 | C8 | C7 | 122.3° | 125.2° |
| C10 | C9 | C8 | 132.0° | 125.8° |
| C9 | C10 | N1 | 115.6° | 120.0° |
| C9 | C8 | C7 | 131.3° | 128.3° |
| C22 | C21 | H26 | 108.1° | 108.5° |
| C22 | C21 | H27 | 108.1° | 108.4° |
| C21 | C22 | H28 | 108.5° | 109.7° |
| C21 | C22 | H29 | 108.5° | 110.1° |
| C10 | N1 | C11 | 127.1° | 120.0° |
| C10 | N1 | H4 | 116.5° | 120.0° |
| C3 | C4 | C5 | 112.4° | 109.9° |
| C3 | C4 | H5 | 108.7° | 109.4° |
| C3 | C4 | H6 | 108.7° | 109.4° |
| O4 | S | C16 | 108.1° | 106.4° |
| O4 | S | O3 | 119.9° | 123.1° |
| C8 | C7 | C6 | 116.3° | 109.1° |
| C8 | C7 | H11 | 107.7° | 109.6° |
| C8 | C7 | H12 | 107.8° | 109.6° |
| C16 | S | O3 | 108.0° | 106.4° |
| S | C16 | C23 | 119.1° | 119.9° |
| S | C16 | C15 | 119.6° | 119.9° |
| C11 | C23 | C16 | 119.2° | 120.0° |
| C23 | C11 | N1 | 122.9° | 120.1° |
| C23 | C11 | C12 | 119.4° | 119.8° |
| C11 | C23 | H30 | 120.4° | 120.0° |
| C23 | C16 | C15 | 121.3° | 120.1° |
| C16 | C23 | H30 | 120.4° | 120.0° |
| N1 | C11 | C12 | 117.6° | 120.1° |
| C11 | N1 | H4 | 116.5° | 120.0° |
| C4 | C5 | C6 | 114.6° | 109.3° |
| C5 | C4 | H5 | 108.8° | 109.4° |
| C5 | C4 | H6 | 108.7° | 109.4° |
| C4 | C5 | H7 | 108.2° | 109.5° |
| C4 | C5 | H8 | 108.2° | 109.5° |
| C7 | C6 | C5 | 114.7° | 111.4° |
| C7 | C6 | H9 | 108.2° | 109.1° |
| C7 | C6 | H10 | 108.1° | 109.0° |
| C6 | C7 | H11 | 107.8° | 109.5° |
| C6 | C7 | H12 | 107.7° | 109.5° |
| C11 | C12 | O2 | 115.0° | 120.1° |
| C11 | C12 | C14 | 120.6° | 119.8° |
| C16 | C15 | C14 | 119.6° | 120.2° |
| C16 | C15 | H17 | 120.2° | 119.9° |
| C6 | C5 | H7 | 108.2° | 109.5° |
| C6 | C5 | H8 | 108.2° | 109.5° |
| C5 | C6 | H9 | 108.1° | 109.2° |
| C5 | C6 | H10 | 108.1° | 109.1° |
| O2 | C12 | C14 | 124.4° | 120.1° |
| C12 | O2 | C13 | 117.5° | 117.0° |
| C12 | C14 | C15 | 119.8° | 120.1° |
| C12 | C14 | H16 | 120.1° | 120.0° |
| C15 | C14 | H16 | 120.1° | 120.0° |
| C14 | C15 | H17 | 120.2° | 120.0° |
| O2 | C13 | H13 | 109.5° | 109.4° |
| O2 | C13 | H14 | 109.5° | 109.4° |
| O2 | C13 | H15 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.3° |
| H7 | C5 | H8 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.1° |
| H11 | C7 | H12 | 109.5° | 109.6° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 108.0° |
| H20 | C18 | H21 | 109.5° | 109.2° |
| H22 | C19 | H23 | 109.5° | 109.2° |
| H24 | C20 | H25 | 109.4° | 110.3° |
| H26 | C21 | H27 | 109.5° | 108.4° |
| H28 | C22 | H29 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H20 | 120.8° | 120.3° |
| C17 | C18 | C19 | H21 | 120.8° | 120.2° |
| C18 | C17 | N2 | H18 | 120.6° | 121.7° |
| C18 | C17 | N2 | H19 | 120.6° | 121.5° |
| C17 | C18 | C19 | C20 | 83.3° | 38.8° |
| C18 | C17 | N2 | C22 | 52.3° | 91.5° |
| C18 | C17 | N2 | S | 144.1° | 88.7° |
| C18 | C17 | H18 | H19 | 118.2° | 116.7° |
| C17 | C18 | H20 | H21 | 117.4° | 119.6° |
| C17 | C18 | C19 | H22 | 37.6° | 81.5° |
| C17 | C18 | C19 | H23 | 155.7° | 159.2° |
| C19 | C18 | C17 | N2 | 27.4° | 41.4° |
| C18 | C19 | C20 | H22 | 121.0° | 120.3° |
| C18 | C19 | C20 | H23 | 120.9° | 120.4° |
| C18 | C19 | C20 | C21 | 73.1° | 97.7° |
| C19 | C18 | C17 | H18 | 148.0° | 163.1° |
| C19 | C18 | C17 | H19 | 93.2° | 80.2° |
| C19 | C18 | H20 | H21 | 117.5° | 119.6° |
| C18 | C19 | H22 | H23 | 117.0° | 119.3° |
| C18 | C19 | C20 | H24 | 166.0° | 143.4° |
| C18 | C19 | C20 | H25 | 47.9° | 21.3° |
| C1 | C | N | C2 | 179.5° | 180.0° |
| C1 | C | N | C9 | 178.9° | 179.5° |
| C1 | C | C2 | C3 | 2.5° | 1.6° |
| C1 | C | C2 | C8 | 179.9° | 178.8° |
| C | C1 | H1 | H2 | 120.0° | 120.0° |
| C | C1 | H1 | H3 | 120.0° | 120.1° |
| C | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C | N | H31 | 1.0° | 0.5° |
| C17 | N2 | C22 | S | 163.6° | 179.8° |
| C17 | N2 | C22 | C21 | 92.4° | 70.4° |
| C17 | N2 | S | O4 | 17.7° | 156.7° |
| C17 | N2 | S | C16 | 97.7° | 89.8° |
| C17 | N2 | S | O3 | 146.9° | 23.8° |
| N2 | C17 | H18 | H19 | 118.2° | 116.8° |
| N2 | C17 | C18 | H20 | 148.2° | 78.9° |
| N2 | C17 | C18 | H21 | 93.5° | 161.6° |
| C17 | N2 | C22 | H28 | 28.1° | 48.9° |
| C17 | N2 | C22 | H29 | 147.0° | 169.8° |
| C19 | C20 | C21 | H24 | 120.9° | 119.0° |
| C19 | C20 | C21 | H25 | 121.0° | 119.0° |
| C19 | C20 | C21 | C22 | 49.1° | 89.5° |
| C20 | C19 | C18 | H20 | 155.8° | 159.1° |
| C20 | C19 | C18 | H21 | 37.5° | 81.4° |
| C20 | C19 | H22 | H23 | 117.0° | 119.4° |
| C19 | C20 | H24 | H25 | 117.0° | 122.0° |
| C19 | C20 | C21 | H26 | 71.7° | 31.8° |
| C19 | C20 | C21 | H27 | 169.9° | 149.5° |
| C | N | C9 | H31 | 180.0° | 180.0° |
| N | C | C2 | C3 | 176.9° | 178.3° |
| N | C | C2 | C8 | 0.7° | 1.2° |
| C | N | C9 | C10 | 177.9° | 179.6° |
| C | N | C9 | C8 | 1.6° | 0.4° |
| N | C | C1 | H1 | 90.3° | 90.0° |
| N | C | C1 | H2 | 149.7° | 150.0° |
| N | C | C1 | H3 | 29.7° | 30.0° |
| C2 | C | N | C9 | 0.5° | 0.5° |
| C | C2 | C3 | O | 5.5° | 43.0° |
| C | C2 | C3 | C8 | 177.2° | 179.5° |
| C | C2 | C8 | C9 | 1.6° | 1.4° |
| C | C2 | C3 | C4 | 172.9° | 136.9° |
| C | C2 | C8 | C7 | 174.4° | 177.4° |
| C2 | C | C1 | H1 | 90.4° | 90.1° |
| C2 | C | C1 | H2 | 29.6° | 29.9° |
| C2 | C | C1 | H3 | 149.6° | 149.9° |
| C2 | C | N | H31 | 179.5° | 179.5° |
| N | C9 | C10 | O1 | 3.8° | 179.9° |
| N | C9 | C8 | C2 | 2.0° | 1.1° |
| N | C9 | C10 | C8 | 179.4° | 179.9° |
| N | C9 | C10 | N1 | 177.3° | 0.0° |
| N | C9 | C8 | C7 | 173.6° | 177.6° |
| C20 | C21 | C22 | N2 | 63.6° | 58.4° |
| C20 | C21 | C22 | H26 | 120.8° | 121.3° |
| C20 | C21 | C22 | H27 | 120.8° | 121.2° |
| C21 | C20 | C19 | H22 | 47.9° | 22.6° |
| C21 | C20 | C19 | H23 | 166.0° | 142.0° |
| C21 | C20 | H24 | H25 | 117.1° | 122.0° |
| C20 | C21 | H26 | H27 | 117.5° | 117.8° |
| C20 | C21 | C22 | H28 | 56.9° | 60.9° |
| C20 | C21 | C22 | H29 | 175.8° | 178.0° |
| O1 | C10 | C9 | N1 | 178.9° | 179.9° |
| O1 | C10 | C9 | C8 | 176.7° | 0.0° |
| O1 | C10 | N1 | C11 | 12.7° | 5.6° |
| O1 | C10 | N1 | H4 | 167.3° | 174.4° |
| O | C3 | C2 | C4 | 178.4° | 179.9° |
| O | C3 | C2 | C8 | 177.4° | 137.5° |
| O | C3 | C4 | C5 | 127.7° | 91.8° |
| O | C3 | C4 | H5 | 7.3° | 148.1° |
| O | C3 | C4 | H6 | 111.8° | 28.4° |
| N2 | C22 | C21 | H28 | 120.5° | 119.4° |
| N2 | C22 | C21 | H29 | 120.6° | 119.6° |
| C22 | N2 | S | O4 | 145.7° | 23.5° |
| C22 | N2 | S | C16 | 98.9° | 90.0° |
| C22 | N2 | S | O3 | 16.5° | 156.4° |
| C22 | N2 | C17 | H18 | 68.3° | 146.7° |
| C22 | N2 | C17 | H19 | 172.9° | 30.0° |
| N2 | C22 | C21 | H26 | 57.2° | 62.9° |
| N2 | C22 | C21 | H27 | 175.6° | 179.6° |
| N2 | C22 | H28 | H29 | 118.3° | 120.9° |
| S | N2 | C22 | C21 | 104.0° | 109.8° |
| N2 | S | O4 | C16 | 114.7° | 114.1° |
| N2 | S | O4 | O3 | 121.0° | 123.0° |
| N2 | S | C16 | O3 | 114.4° | 113.6° |
| N2 | S | C16 | C23 | 81.7° | 89.7° |
| N2 | S | C16 | C15 | 97.9° | 90.0° |
| S | N2 | C17 | H18 | 95.3° | 33.0° |
| S | N2 | C17 | H19 | 23.5° | 149.8° |
| S | N2 | C22 | H28 | 135.5° | 130.9° |
| S | N2 | C22 | H29 | 16.6° | 9.9° |
| C3 | C2 | C8 | C9 | 175.9° | 178.2° |
| C3 | C2 | C8 | C7 | 8.0° | 3.0° |
| C2 | C3 | C4 | C5 | 50.6° | 88.3° |
| C2 | C3 | C4 | H5 | 171.1° | 31.8° |
| C2 | C3 | C4 | H6 | 69.8° | 151.6° |
| C2 | C8 | C9 | C10 | 177.5° | 178.8° |
| C2 | C8 | C9 | C7 | 175.6° | 178.7° |
| C8 | C2 | C3 | C4 | 4.3° | 42.6° |
| C2 | C8 | C7 | C6 | 64.4° | 27.8° |
| C2 | C8 | C7 | H11 | 56.6° | 92.0° |
| C2 | C8 | C7 | H12 | 174.6° | 147.7° |
| C10 | C9 | C8 | C7 | 6.9° | 2.4° |
| C9 | C10 | N1 | C11 | 168.5° | 174.5° |
| C9 | C10 | N1 | H4 | 11.5° | 5.5° |
| C10 | C9 | N | H31 | 2.0° | 0.5° |
| C8 | C9 | C10 | N1 | 2.1° | 179.9° |
| C9 | C8 | C7 | C6 | 120.6° | 150.7° |
| C9 | C8 | C7 | H11 | 118.4° | 89.4° |
| C9 | C8 | C7 | H12 | 0.4° | 30.8° |
| C8 | C9 | N | H31 | 178.4° | 179.6° |
| C22 | C21 | C20 | H24 | 170.0° | 151.6° |
| C22 | C21 | C20 | H25 | 71.9° | 29.5° |
| C22 | C21 | H26 | H27 | 117.5° | 117.5° |
| C21 | C22 | H28 | H29 | 118.3° | 121.2° |
| C10 | N1 | C11 | C23 | 20.8° | 24.8° |
| C10 | N1 | C11 | H4 | 180.0° | 180.0° |
| C10 | N1 | C11 | C12 | 158.9° | 154.9° |
| C3 | C4 | C5 | H5 | 120.4° | 120.1° |
| C3 | C4 | C5 | H6 | 120.4° | 120.1° |
| C3 | C4 | C5 | C6 | 87.3° | 32.5° |
| C3 | C4 | H5 | H6 | 118.7° | 119.8° |
| C3 | C4 | C5 | H7 | 33.5° | 152.5° |
| C3 | C4 | C5 | H8 | 151.9° | 87.4° |
| O4 | S | C16 | O3 | 131.2° | 132.9° |
| O4 | S | C16 | C23 | 32.8° | 23.8° |
| O4 | S | C16 | C15 | 147.7° | 156.5° |
| C8 | C7 | C6 | H11 | 121.0° | 119.9° |
| C8 | C7 | C6 | H12 | 121.0° | 119.9° |
| C8 | C7 | C6 | C5 | 51.7° | 91.2° |
| C8 | C7 | C6 | H9 | 172.5° | 148.3° |
| C8 | C7 | C6 | H10 | 69.0° | 29.3° |
| C8 | C7 | H11 | H12 | 116.9° | 120.3° |
| S | C16 | C23 | C11 | 179.6° | 179.7° |
| S | C16 | C23 | C15 | 179.5° | 179.7° |
| S | C16 | C15 | C14 | 179.7° | 180.0° |
| S | C16 | C15 | H17 | 0.3° | 0.1° |
| S | C16 | C23 | H30 | 0.3° | 0.0° |
| O3 | S | C16 | C23 | 163.9° | 156.7° |
| O3 | S | C16 | C15 | 16.5° | 23.6° |
| C11 | C23 | C16 | H30 | 180.0° | 179.7° |
| C23 | C11 | N1 | C12 | 179.8° | 179.7° |
| C11 | C23 | C16 | C15 | 0.1° | 0.6° |
| C23 | C11 | C12 | O2 | 179.0° | 179.8° |
| C23 | C11 | C12 | C14 | 0.4° | 0.3° |
| C23 | C11 | N1 | H4 | 159.2° | 155.2° |
| C16 | C23 | C11 | N1 | 179.9° | 179.7° |
| C16 | C23 | C11 | C12 | 0.2° | 0.6° |
| C23 | C16 | C15 | C14 | 0.2° | 0.3° |
| C23 | C16 | C15 | H17 | 179.8° | 179.8° |
| N1 | C11 | C12 | O2 | 0.8° | 0.1° |
| N1 | C11 | C12 | C14 | 179.8° | 180.0° |
| N1 | C11 | C23 | H30 | 0.1° | 0.0° |
| C4 | C5 | C6 | C7 | 28.7° | 60.8° |
| C4 | C5 | C6 | H7 | 120.8° | 119.9° |
| C4 | C5 | C6 | H8 | 120.8° | 120.0° |
| C5 | C4 | H5 | H6 | 118.7° | 119.8° |
| C4 | C5 | H7 | H8 | 117.6° | 120.1° |
| C4 | C5 | C6 | H9 | 92.1° | 178.7° |
| C4 | C5 | C6 | H10 | 149.5° | 59.6° |
| C7 | C6 | C5 | H9 | 120.8° | 120.5° |
| C7 | C6 | C5 | H10 | 120.8° | 120.4° |
| C7 | C6 | C5 | H7 | 92.0° | 59.1° |
| C7 | C6 | C5 | H8 | 149.5° | 179.2° |
| C7 | C6 | H9 | H10 | 117.6° | 118.9° |
| C6 | C7 | H11 | H12 | 116.9° | 120.2° |
| C11 | C12 | O2 | C14 | 179.4° | 179.9° |
| C11 | C12 | C14 | C15 | 0.3° | 0.0° |
| C11 | C12 | O2 | C13 | 180.0° | 180.0° |
| C12 | C11 | N1 | H4 | 21.0° | 25.1° |
| C11 | C12 | C14 | H16 | 179.7° | 180.0° |
| C12 | C11 | C23 | H30 | 179.8° | 179.7° |
| C16 | C15 | C14 | C12 | 0.0° | 0.0° |
| C16 | C15 | C14 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | C23 | H30 | 179.9° | 179.7° |
| C6 | C5 | C4 | H5 | 152.3° | 87.6° |
| C6 | C5 | C4 | H6 | 33.1° | 152.7° |
| C6 | C5 | H7 | H8 | 117.7° | 120.1° |
| C5 | C6 | H9 | H10 | 117.6° | 119.1° |
| C5 | C6 | C7 | H11 | 69.2° | 28.7° |
| C5 | C6 | C7 | H12 | 172.7° | 148.9° |
| O2 | C12 | C14 | C15 | 179.0° | 180.0° |
| C12 | O2 | C13 | H13 | 180.0° | 60.0° |
| C12 | O2 | C13 | H14 | 60.0° | 60.0° |
| C12 | O2 | C13 | H15 | 60.0° | 180.0° |
| O2 | C12 | C14 | H16 | 0.9° | 0.1° |
| C12 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C12 | O2 | C13 | 0.6° | 0.0° |
| C12 | C14 | C15 | H17 | 180.0° | 180.0° |
| O2 | C13 | H13 | H14 | 120.0° | 119.9° |
| O2 | C13 | H13 | H15 | 120.0° | 120.0° |
| O2 | C13 | H14 | H15 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H5 | C4 | C5 | H7 | 86.9° | 32.4° |
| H5 | C4 | C5 | H8 | 31.5° | 152.4° |
| H6 | C4 | C5 | H7 | 153.9° | 87.4° |
| H6 | C4 | C5 | H8 | 87.6° | 32.7° |
| H7 | C5 | C6 | H9 | 147.2° | 61.4° |
| H7 | C5 | C6 | H10 | 28.8° | 179.5° |
| H8 | C5 | C6 | H9 | 28.7° | 58.7° |
| H8 | C5 | C6 | H10 | 89.7° | 60.4° |
| H9 | C6 | C7 | H11 | 51.5° | 91.8° |
| H9 | C6 | C7 | H12 | 66.5° | 28.3° |
| H10 | C6 | C7 | H11 | 170.0° | 149.2° |
| H10 | C6 | C7 | H12 | 51.9° | 90.6° |
| H13 | C13 | H14 | H15 | 120.0° | 120.1° |
| H16 | C14 | C15 | H17 | 0.0° | 0.1° |
| H18 | C17 | C18 | H20 | 91.2° | 42.8° |
| H18 | C17 | C18 | H21 | 27.1° | 76.8° |
| H19 | C17 | C18 | H20 | 27.6° | 159.5° |
| H19 | C17 | C18 | H21 | 145.9° | 40.0° |
| H20 | C18 | C19 | H22 | 83.2° | 38.8° |
| H20 | C18 | C19 | H23 | 34.9° | 80.5° |
| H21 | C18 | C19 | H22 | 158.5° | 158.3° |
| H21 | C18 | C19 | H23 | 83.5° | 39.0° |
| H22 | C19 | C20 | H24 | 73.1° | 96.3° |
| H22 | C19 | C20 | H25 | 168.9° | 141.6° |
| H23 | C19 | C20 | H24 | 45.0° | 23.0° |
| H23 | C19 | C20 | H25 | 73.1° | 99.1° |
| H24 | C20 | C21 | H26 | 49.2° | 87.2° |
| H24 | C20 | C21 | H27 | 69.2° | 30.5° |
| H25 | C20 | C21 | H26 | 167.3° | 150.8° |
| H25 | C20 | C21 | H27 | 48.9° | 91.5° |
| H26 | C21 | C22 | H28 | 177.7° | 177.8° |
| H26 | C21 | C22 | H29 | 63.4° | 56.7° |
| H27 | C21 | C22 | H28 | 63.9° | 60.2° |
| H27 | C21 | C22 | H29 | 55.0° | 60.8° |
