KE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C1 | sing | 1.46Å | 1.46Å | |
| C6 | N7 | sing | 1.39Å | 1.40Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| N7 | C8 | sing | 1.39Å | 1.39Å | |
| C8 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.33Å | 1.35Å | Aromatic |
| S32 | C31 | sing | 1.71Å | 1.72Å | Aromatic |
| S32 | C14 | sing | 1.75Å | 1.74Å | Aromatic |
| N13 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C28 | C31 | sing | 1.52Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | N19 | sing | 1.47Å | 1.48Å | |
| N9 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.48Å | 1.46Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.46Å | |
| N19 | C17 | sing | 1.34Å | 1.37Å | |
| C16 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | N22 | sing | 1.47Å | 1.48Å | |
| C21 | N22 | sing | 1.47Å | 1.47Å | |
| C24 | O25 | sing | 1.43Å | 1.42Å | |
| N22 | C27 | sing | 1.47Å | 1.47Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C10 | H39 | sing | 1.08Å | 1.08Å | |
| C11 | H40 | sing | 1.08Å | 1.08Å | |
| C15 | H41 | sing | 1.08Å | 1.08Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.08Å | 1.08Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | C5 | 112.7° | 108.3° |
| C4 | N3 | N2 | 104.1° | 108.4° |
| N3 | C4 | H36 | 123.7° | 125.8° |
| C4 | C5 | C6 | 104.6° | 107.8° |
| C4 | C5 | H37 | 127.7° | 126.1° |
| C5 | C4 | H36 | 123.7° | 125.8° |
| N3 | N2 | C6 | 111.7° | 108.0° |
| N3 | N2 | C1 | 118.7° | 126.0° |
| C5 | C6 | N2 | 106.9° | 107.5° |
| C5 | C6 | N7 | 132.8° | 126.2° |
| C6 | C5 | H37 | 127.7° | 126.1° |
| C6 | N2 | C1 | 129.5° | 126.0° |
| N2 | C6 | N7 | 120.3° | 126.3° |
| N2 | C1 | H33 | 109.5° | 109.5° |
| N2 | C1 | H34 | 109.5° | 109.5° |
| N2 | C1 | H35 | 109.5° | 109.5° |
| C6 | N7 | C8 | 125.8° | 120.0° |
| C6 | N7 | H38 | 117.1° | 120.0° |
| C29 | C28 | C31 | 107.6° | 110.2° |
| C29 | C28 | C30 | 111.5° | 110.2° |
| C29 | C28 | N19 | 110.5° | 110.2° |
| C28 | C29 | H56 | 109.5° | 109.5° |
| C28 | C29 | H54 | 109.5° | 109.5° |
| C28 | C29 | H55 | 109.5° | 109.5° |
| N7 | C8 | N13 | 115.5° | 119.2° |
| N7 | C8 | N9 | 118.4° | 119.1° |
| C8 | N7 | H38 | 117.1° | 120.0° |
| N13 | C8 | N9 | 126.1° | 121.7° |
| C8 | N13 | C12 | 116.6° | 120.6° |
| C8 | N9 | C10 | 115.2° | 121.0° |
| C31 | S32 | C14 | 92.1° | 91.9° |
| S32 | C31 | C28 | 137.7° | 142.0° |
| S32 | C31 | C16 | 111.6° | 111.0° |
| S32 | C14 | C12 | 118.7° | 125.0° |
| S32 | C14 | C15 | 110.6° | 110.0° |
| N13 | C12 | C14 | 115.8° | 120.6° |
| N13 | C12 | C11 | 122.2° | 118.9° |
| C31 | C28 | C30 | 113.2° | 110.1° |
| C31 | C28 | N19 | 99.9° | 106.0° |
| C28 | C31 | C16 | 110.8° | 107.0° |
| C30 | C28 | N19 | 113.5° | 110.2° |
| C28 | C30 | H58 | 109.5° | 109.5° |
| C28 | C30 | H59 | 109.5° | 109.4° |
| C28 | C30 | H57 | 109.5° | 109.5° |
| C28 | N19 | C20 | 123.3° | 125.8° |
| C28 | N19 | C17 | 114.0° | 108.3° |
| N9 | C10 | C11 | 123.5° | 119.3° |
| N9 | C10 | H39 | 118.2° | 120.3° |
| C31 | C16 | C15 | 112.1° | 112.9° |
| C31 | C16 | C17 | 108.9° | 108.2° |
| C14 | C12 | C11 | 122.0° | 120.5° |
| C12 | C14 | C15 | 130.7° | 125.0° |
| C12 | C11 | C10 | 116.4° | 118.4° |
| C12 | C11 | H40 | 121.8° | 120.8° |
| C14 | C15 | C16 | 113.7° | 114.2° |
| C14 | C15 | H41 | 123.2° | 122.9° |
| C11 | C10 | H39 | 118.2° | 120.3° |
| C10 | C11 | H40 | 121.8° | 120.8° |
| C20 | N19 | C17 | 122.4° | 125.8° |
| N19 | C20 | C21 | 112.5° | 109.5° |
| N19 | C20 | H42 | 108.7° | 109.5° |
| N19 | C20 | H43 | 108.7° | 109.5° |
| N19 | C17 | C16 | 106.2° | 110.5° |
| N19 | C17 | O18 | 125.0° | 124.7° |
| C15 | C16 | C17 | 139.0° | 138.9° |
| C16 | C15 | H41 | 123.1° | 122.9° |
| C16 | C17 | O18 | 128.7° | 124.8° |
| C20 | C21 | N22 | 115.5° | 109.4° |
| C20 | C21 | H44 | 107.9° | 109.5° |
| C20 | C21 | H45 | 107.9° | 109.5° |
| C21 | C20 | H42 | 108.7° | 109.5° |
| C21 | C20 | H43 | 108.7° | 109.5° |
| C24 | C23 | N22 | 111.1° | 109.2° |
| C23 | C24 | O25 | 112.1° | 109.2° |
| C24 | C23 | H47 | 109.1° | 109.5° |
| C24 | C23 | H46 | 109.1° | 109.5° |
| C23 | C24 | H48 | 108.8° | 109.5° |
| C23 | C24 | H49 | 108.8° | 109.5° |
| C23 | N22 | C21 | 111.4° | 111.0° |
| C23 | N22 | C27 | 109.4° | 110.7° |
| N22 | C23 | H47 | 109.1° | 109.5° |
| N22 | C23 | H46 | 109.1° | 109.5° |
| C21 | N22 | C27 | 109.4° | 111.0° |
| N22 | C21 | H44 | 107.9° | 109.5° |
| N22 | C21 | H45 | 108.0° | 109.5° |
| C24 | O25 | C26 | 109.7° | 113.8° |
| O25 | C24 | H48 | 108.8° | 109.5° |
| O25 | C24 | H49 | 108.8° | 109.5° |
| N22 | C27 | C26 | 109.5° | 109.2° |
| N22 | C27 | H53 | 109.5° | 109.6° |
| N22 | C27 | H52 | 109.5° | 109.5° |
| O25 | C26 | C27 | 111.1° | 109.3° |
| O25 | C26 | H50 | 109.1° | 109.5° |
| O25 | C26 | H51 | 109.0° | 109.6° |
| C27 | C26 | H50 | 109.0° | 109.5° |
| C27 | C26 | H51 | 109.1° | 109.5° |
| C26 | C27 | H53 | 109.5° | 109.5° |
| C26 | C27 | H52 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H33 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H35 | 109.5° | 109.5° |
| H44 | C21 | H45 | 109.5° | 109.5° |
| H47 | C23 | H46 | 109.5° | 109.6° |
| H48 | C24 | H49 | 109.5° | 109.6° |
| H50 | C26 | H51 | 109.5° | 109.5° |
| H53 | C27 | H52 | 109.5° | 109.5° |
| H42 | C20 | H43 | 109.5° | 109.5° |
| H56 | C29 | H54 | 109.5° | 109.4° |
| H56 | C29 | H55 | 109.5° | 109.5° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| H58 | C30 | H59 | 109.4° | 109.4° |
| H58 | C30 | H57 | 109.5° | 109.4° |
| H59 | C30 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | H36 | 180.0° | 179.7° |
| N3 | C4 | C5 | C6 | 0.6° | 0.4° |
| C4 | N3 | N2 | C6 | 0.5° | 0.2° |
| C4 | N3 | N2 | C1 | 179.5° | 179.7° |
| N3 | C4 | C5 | H37 | 179.4° | 179.9° |
| C5 | C4 | N3 | N2 | 0.1° | 0.3° |
| C4 | C5 | C6 | H37 | 180.0° | 179.8° |
| C4 | C5 | C6 | N2 | 0.9° | 0.3° |
| C4 | C5 | C6 | N7 | 178.8° | 179.8° |
| N3 | N2 | C6 | C5 | 0.9° | 0.1° |
| N3 | N2 | C6 | C1 | 178.8° | 179.9° |
| N3 | N2 | C6 | N7 | 179.2° | 180.0° |
| N3 | N2 | C1 | H33 | 0.0° | 89.9° |
| N3 | N2 | C1 | H34 | 120.0° | 30.0° |
| N3 | N2 | C1 | H35 | 120.0° | 150.0° |
| N2 | N3 | C4 | H36 | 179.9° | 180.0° |
| C5 | C6 | N2 | N7 | 178.2° | 179.9° |
| C5 | C6 | N2 | C1 | 179.8° | 180.0° |
| C5 | C6 | N7 | C8 | 24.9° | 0.1° |
| C6 | C5 | C4 | H36 | 179.3° | 179.9° |
| C5 | C6 | N7 | H38 | 155.1° | 180.0° |
| N2 | C6 | N7 | C8 | 157.4° | 179.9° |
| C6 | N2 | C1 | H33 | 178.7° | 90.0° |
| C6 | N2 | C1 | H34 | 58.7° | 150.1° |
| C6 | N2 | C1 | H35 | 61.3° | 30.1° |
| N2 | C6 | C5 | H37 | 179.1° | 180.0° |
| N2 | C6 | N7 | H38 | 22.6° | 0.1° |
| C1 | N2 | C6 | N7 | 2.0° | 0.1° |
| N2 | C1 | H33 | H34 | 120.0° | 120.0° |
| N2 | C1 | H33 | H35 | 120.0° | 120.0° |
| N2 | C1 | H34 | H35 | 120.0° | 120.0° |
| C6 | N7 | C8 | H38 | 180.0° | 180.0° |
| C6 | N7 | C8 | N13 | 16.4° | 180.0° |
| C6 | N7 | C8 | N9 | 163.6° | 0.2° |
| N7 | C6 | C5 | H37 | 1.2° | 0.1° |
| C29 | C28 | C31 | S32 | 67.8° | 61.1° |
| C29 | C28 | C31 | C30 | 123.7° | 121.7° |
| C29 | C28 | C31 | N19 | 115.3° | 119.2° |
| C29 | C28 | C30 | N19 | 125.5° | 121.8° |
| C29 | C28 | C31 | C16 | 111.5° | 119.2° |
| C29 | C28 | N19 | C20 | 78.6° | 60.9° |
| C29 | C28 | N19 | C17 | 107.9° | 119.1° |
| C28 | C29 | H56 | H54 | 120.0° | 120.0° |
| C28 | C29 | H56 | H55 | 120.0° | 120.0° |
| C28 | C29 | H54 | H55 | 120.0° | 120.0° |
| C29 | C28 | C30 | H58 | 180.0° | 60.2° |
| C29 | C28 | C30 | H59 | 60.0° | 59.7° |
| C29 | C28 | C30 | H57 | 60.0° | 179.8° |
| N7 | C8 | N13 | N9 | 180.0° | 179.8° |
| N7 | C8 | N13 | C12 | 179.8° | 179.8° |
| N7 | C8 | N9 | C10 | 179.6° | 179.7° |
| N13 | C8 | N9 | C10 | 0.3° | 0.1° |
| C8 | N13 | C12 | C14 | 179.2° | 180.0° |
| C8 | N13 | C12 | C11 | 0.0° | 0.0° |
| N13 | C8 | N7 | H38 | 163.7° | 0.0° |
| N9 | C8 | N13 | C12 | 0.1° | 0.0° |
| C8 | N9 | C10 | C11 | 0.4° | 0.0° |
| C8 | N9 | C10 | H39 | 179.5° | 180.0° |
| N9 | C8 | N7 | H38 | 16.4° | 179.8° |
| S32 | C31 | C28 | C16 | 179.4° | 179.7° |
| S32 | C31 | C28 | C30 | 55.8° | 60.6° |
| S32 | C31 | C28 | N19 | 176.9° | 179.7° |
| C31 | S32 | C14 | C12 | 179.4° | 180.0° |
| C31 | S32 | C14 | C15 | 0.5° | 0.3° |
| S32 | C31 | C16 | C15 | 0.3° | 0.2° |
| S32 | C31 | C16 | C17 | 179.1° | 179.8° |
| S32 | C14 | C12 | N13 | 2.9° | 179.7° |
| C14 | S32 | C31 | C28 | 179.3° | 180.0° |
| C14 | S32 | C31 | C16 | 0.1° | 0.3° |
| S32 | C14 | C12 | C15 | 178.7° | 179.7° |
| S32 | C14 | C12 | C11 | 178.0° | 0.3° |
| S32 | C14 | C15 | C16 | 0.7° | 0.3° |
| S32 | C14 | C15 | H41 | 179.2° | 179.8° |
| N13 | C12 | C14 | C11 | 179.1° | 179.9° |
| N13 | C12 | C14 | C15 | 175.8° | 0.1° |
| N13 | C12 | C11 | C10 | 0.1° | 0.0° |
| N13 | C12 | C11 | H40 | 179.9° | 180.0° |
| C31 | C28 | C30 | N19 | 113.0° | 116.5° |
| C31 | C28 | N19 | C20 | 168.3° | 180.0° |
| C31 | C28 | N19 | C17 | 5.2° | 0.0° |
| C28 | C31 | C16 | C15 | 179.9° | 180.0° |
| C28 | C31 | C16 | C17 | 1.4° | 0.0° |
| C31 | C28 | C29 | H56 | 180.0° | 58.6° |
| C31 | C28 | C29 | H54 | 60.0° | 178.6° |
| C31 | C28 | C29 | H55 | 60.0° | 61.4° |
| C31 | C28 | C30 | H58 | 58.5° | 61.5° |
| C31 | C28 | C30 | H59 | 61.5° | 178.6° |
| C31 | C28 | C30 | H57 | 178.5° | 58.5° |
| C30 | C28 | C31 | C16 | 124.8° | 119.2° |
| C30 | C28 | N19 | C20 | 47.5° | 60.9° |
| C30 | C28 | N19 | C17 | 126.0° | 119.1° |
| C30 | C28 | C29 | H56 | 55.3° | 179.8° |
| C30 | C28 | C29 | H54 | 64.7° | 59.8° |
| C30 | C28 | C29 | H55 | 175.3° | 60.2° |
| C28 | C30 | H58 | H59 | 120.0° | 120.0° |
| C28 | C30 | H58 | H57 | 120.0° | 120.1° |
| C28 | C30 | H59 | H57 | 120.0° | 120.1° |
| N19 | C28 | C31 | C16 | 3.8° | 0.0° |
| C28 | N19 | C20 | C17 | 172.9° | 180.0° |
| C28 | N19 | C17 | C16 | 4.7° | 0.0° |
| C28 | N19 | C20 | C21 | 97.6° | 90.0° |
| C28 | N19 | C17 | O18 | 175.6° | 179.9° |
| C28 | N19 | C20 | H42 | 22.9° | 30.0° |
| C28 | N19 | C20 | H43 | 142.0° | 150.0° |
| N19 | C28 | C29 | H56 | 71.9° | 58.0° |
| N19 | C28 | C29 | H54 | 168.1° | 62.0° |
| N19 | C28 | C29 | H55 | 48.1° | 178.0° |
| N19 | C28 | C30 | H58 | 54.5° | 178.0° |
| N19 | C28 | C30 | H59 | 174.5° | 62.0° |
| N19 | C28 | C30 | H57 | 65.5° | 58.0° |
| N9 | C10 | C11 | C12 | 0.3° | 0.0° |
| N9 | C10 | C11 | H39 | 180.0° | 180.0° |
| N9 | C10 | C11 | H40 | 179.7° | 180.0° |
| C31 | C16 | C15 | C14 | 0.7° | 0.1° |
| C31 | C16 | C17 | N19 | 1.9° | 0.0° |
| C31 | C16 | C15 | C17 | 178.3° | 179.9° |
| C31 | C16 | C17 | O18 | 178.4° | 179.9° |
| C31 | C16 | C15 | H41 | 179.3° | 180.0° |
| C14 | C12 | C11 | C10 | 179.2° | 180.0° |
| C12 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | C12 | C11 | H40 | 0.8° | 0.1° |
| C12 | C14 | C15 | H41 | 0.5° | 0.1° |
| C11 | C12 | C14 | C15 | 3.4° | 180.0° |
| C12 | C11 | C10 | H40 | 180.0° | 179.9° |
| C12 | C11 | C10 | H39 | 179.7° | 180.0° |
| C14 | C15 | C16 | H41 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 178.9° | 180.0° |
| C20 | N19 | C17 | C16 | 168.9° | 180.0° |
| N19 | C20 | C21 | H42 | 120.5° | 120.0° |
| N19 | C20 | C21 | H43 | 120.4° | 120.0° |
| C20 | N19 | C17 | O18 | 10.9° | 0.1° |
| N19 | C20 | C21 | N22 | 162.7° | 180.0° |
| N19 | C20 | C21 | H44 | 41.8° | 60.0° |
| N19 | C20 | C21 | H45 | 76.4° | 60.0° |
| N19 | C20 | H42 | H43 | 118.6° | 120.0° |
| N19 | C17 | C16 | C15 | 176.4° | 179.9° |
| N19 | C17 | C16 | O18 | 179.7° | 179.9° |
| C17 | N19 | C20 | C21 | 75.4° | 90.0° |
| C17 | N19 | C20 | H42 | 164.2° | 150.0° |
| C17 | N19 | C20 | H43 | 45.1° | 30.0° |
| C15 | C16 | C17 | O18 | 3.3° | 0.0° |
| C17 | C16 | C15 | H41 | 1.0° | 0.1° |
| C20 | C21 | N22 | C23 | 57.2° | 170.0° |
| C20 | C21 | N22 | H44 | 120.9° | 120.0° |
| C20 | C21 | N22 | H45 | 120.9° | 120.0° |
| C20 | C21 | N22 | C27 | 178.3° | 66.4° |
| C20 | C21 | H44 | H45 | 117.2° | 120.0° |
| C21 | C20 | H42 | H43 | 118.6° | 120.0° |
| C24 | C23 | N22 | H47 | 120.2° | 119.9° |
| C24 | C23 | N22 | H46 | 120.2° | 119.9° |
| C24 | C23 | N22 | C21 | 174.9° | 177.6° |
| C23 | C24 | O25 | H48 | 120.4° | 119.9° |
| C23 | C24 | O25 | H49 | 120.4° | 119.9° |
| C24 | C23 | N22 | C27 | 53.8° | 58.6° |
| C23 | C24 | O25 | C26 | 57.2° | 58.7° |
| C24 | C23 | H47 | H46 | 119.3° | 120.1° |
| C23 | C24 | H48 | H49 | 118.8° | 120.1° |
| C23 | N22 | C21 | C27 | 121.1° | 123.6° |
| N22 | C23 | C24 | O25 | 54.7° | 56.8° |
| C23 | N22 | C27 | C26 | 56.7° | 58.6° |
| C23 | N22 | C21 | H44 | 178.1° | 70.0° |
| C23 | N22 | C21 | H45 | 63.7° | 50.0° |
| N22 | C23 | H47 | H46 | 119.3° | 120.2° |
| N22 | C23 | C24 | H48 | 175.0° | 176.8° |
| N22 | C23 | C24 | H49 | 65.7° | 63.1° |
| C23 | N22 | C27 | H53 | 176.7° | 61.3° |
| C23 | N22 | C27 | H52 | 63.3° | 178.6° |
| C21 | N22 | C27 | C26 | 179.0° | 177.6° |
| N22 | C21 | H44 | H45 | 117.3° | 120.0° |
| C21 | N22 | C23 | H47 | 64.9° | 57.7° |
| C21 | N22 | C23 | H46 | 54.6° | 62.4° |
| C21 | N22 | C27 | H53 | 61.0° | 62.4° |
| C21 | N22 | C27 | H52 | 59.0° | 57.7° |
| N22 | C21 | C20 | H42 | 76.8° | 60.0° |
| N22 | C21 | C20 | H43 | 42.3° | 60.0° |
| C24 | O25 | C26 | C27 | 60.6° | 58.7° |
| O25 | C24 | C23 | H47 | 174.9° | 176.8° |
| O25 | C24 | C23 | H46 | 65.5° | 63.1° |
| O25 | C24 | H48 | H49 | 118.8° | 120.2° |
| C24 | O25 | C26 | H50 | 179.1° | 61.2° |
| C24 | O25 | C26 | H51 | 59.7° | 178.6° |
| N22 | C27 | C26 | O25 | 61.0° | 56.8° |
| N22 | C27 | C26 | H53 | 120.0° | 120.0° |
| N22 | C27 | C26 | H52 | 120.0° | 120.0° |
| C27 | N22 | C21 | H44 | 60.8° | 53.6° |
| C27 | N22 | C21 | H45 | 57.4° | 173.6° |
| C27 | N22 | C23 | H47 | 174.0° | 178.5° |
| C27 | N22 | C23 | H46 | 66.4° | 61.3° |
| N22 | C27 | C26 | H50 | 178.7° | 63.1° |
| N22 | C27 | C26 | H51 | 59.2° | 176.9° |
| N22 | C27 | H53 | H52 | 120.0° | 120.2° |
| O25 | C26 | C27 | H50 | 120.3° | 119.9° |
| O25 | C26 | C27 | H51 | 120.3° | 120.1° |
| C26 | O25 | C24 | H48 | 177.5° | 178.5° |
| C26 | O25 | C24 | H49 | 63.2° | 61.3° |
| O25 | C26 | H50 | H51 | 119.2° | 120.2° |
| O25 | C26 | C27 | H53 | 178.9° | 63.2° |
| O25 | C26 | C27 | H52 | 58.9° | 176.8° |
| C27 | C26 | H50 | H51 | 119.3° | 120.0° |
| C26 | C27 | H53 | H52 | 120.0° | 120.1° |
| H33 | C1 | H34 | H35 | 120.0° | 120.0° |
| H37 | C5 | C4 | H36 | 0.6° | 0.1° |
| H39 | C10 | C11 | H40 | 0.3° | 0.0° |
| H44 | C21 | C20 | H42 | 162.3° | 60.0° |
| H44 | C21 | C20 | H43 | 78.6° | 180.0° |
| H45 | C21 | C20 | H42 | 44.1° | 180.0° |
| H45 | C21 | C20 | H43 | 163.2° | 60.0° |
| H47 | C23 | C24 | H48 | 64.7° | 63.3° |
| H47 | C23 | C24 | H49 | 54.5° | 56.8° |
| H46 | C23 | C24 | H48 | 54.8° | 56.8° |
| H46 | C23 | C24 | H49 | 174.1° | 176.9° |
| H50 | C26 | C27 | H53 | 58.7° | 176.9° |
| H50 | C26 | C27 | H52 | 61.3° | 56.9° |
| H51 | C26 | C27 | H53 | 60.8° | 56.9° |
| H51 | C26 | C27 | H52 | 179.2° | 63.2° |
| H56 | C29 | H54 | H55 | 120.0° | 120.0° |
| H58 | C30 | H59 | H57 | 120.0° | 119.9° |
