YFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.51Å | |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| N2 | C10 | sing | 1.35Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C4 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N9 | sing | 1.47Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C21 | sing | 1.35Å | 1.41Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | O12 | doub | 1.21Å | 1.22Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | C15 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C14 | C17 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | doub | 1.36Å | 1.43Å | Aromatic |
| C16 | N20 | sing | 1.33Å | 1.41Å | Aromatic |
| C17 | N18 | sing | 1.34Å | 1.41Å | Aromatic |
| N18 | N19 | sing | 1.29Å | 1.37Å | Aromatic |
| N19 | N20 | doub | 1.29Å | 1.32Å | Aromatic |
| C21 | O22 | sing | 1.35Å | 1.41Å | |
| C21 | O24 | doub | 1.22Å | 1.22Å | |
| O22 | C23 | sing | 1.45Å | 1.44Å | |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | F37 | sing | 1.35Å | 1.36Å | |
| C27 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.37Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.38Å | |
| C32 | C33 | sing | 1.53Å | 1.57Å | |
| C33 | F34 | sing | 1.40Å | 1.36Å | |
| C33 | F35 | sing | 1.40Å | 1.36Å | |
| C33 | F36 | sing | 1.40Å | 1.34Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C13 | H52 | sing | 1.09Å | 1.10Å | |
| C13 | H51 | sing | 1.09Å | 1.10Å | |
| C15 | H55 | sing | 1.09Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.09Å | 1.10Å | |
| C23 | H59 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.08Å | 1.08Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| C14 | H53 | sing | 1.09Å | 1.10Å | |
| N18 | H57 | sing | 0.97Å | 1.00Å | |
| C29 | H61 | sing | 1.08Å | 1.08Å | |
| C30 | H62 | sing | 1.08Å | 1.08Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C4 | 87.0° | 87.8° |
| C1 | N2 | C3 | 96.0° | 88.0° |
| C1 | N2 | C10 | 128.4° | 136.0° |
| N2 | C1 | H39 | 114.7° | 113.4° |
| N2 | C1 | H38 | 114.8° | 113.6° |
| C1 | C4 | C3 | 89.9° | 83.9° |
| C1 | C4 | C6 | 111.5° | 114.1° |
| C1 | C4 | C7 | 113.2° | 114.1° |
| C4 | C1 | H39 | 114.7° | 113.5° |
| C4 | C1 | H38 | 114.7° | 113.5° |
| C3 | N2 | C10 | 135.6° | 136.0° |
| N2 | C3 | C4 | 86.5° | 87.8° |
| N2 | C3 | H40 | 114.8° | 113.5° |
| N2 | C3 | H41 | 114.8° | 113.4° |
| N2 | C10 | C11 | 119.0° | 120.0° |
| N2 | C10 | O12 | 118.7° | 120.0° |
| C3 | C4 | C6 | 114.0° | 114.1° |
| C3 | C4 | C7 | 114.6° | 114.1° |
| C4 | C3 | H40 | 114.8° | 113.5° |
| C4 | C3 | H41 | 114.9° | 113.5° |
| C6 | C4 | C7 | 111.9° | 113.4° |
| C4 | C6 | C5 | 107.9° | 109.1° |
| C4 | C6 | H45 | 109.9° | 109.6° |
| C4 | C6 | H44 | 109.9° | 109.5° |
| C4 | C7 | C8 | 109.0° | 109.1° |
| C4 | C7 | H46 | 109.6° | 109.5° |
| C4 | C7 | H47 | 109.6° | 109.6° |
| C6 | C5 | N9 | 107.8° | 108.7° |
| C6 | C5 | H43 | 109.9° | 109.6° |
| C6 | C5 | H42 | 109.9° | 109.6° |
| C5 | C6 | H45 | 109.9° | 109.5° |
| C5 | C6 | H44 | 109.9° | 109.5° |
| C5 | N9 | C8 | 115.1° | 119.0° |
| C5 | N9 | C21 | 116.8° | 120.5° |
| N9 | C5 | H43 | 109.9° | 109.6° |
| N9 | C5 | H42 | 109.9° | 109.7° |
| C7 | C8 | N9 | 107.2° | 108.7° |
| C8 | C7 | H46 | 109.6° | 109.5° |
| C8 | C7 | H47 | 109.6° | 109.5° |
| C7 | C8 | H48 | 110.0° | 109.6° |
| C7 | C8 | H49 | 110.0° | 109.6° |
| C8 | N9 | C21 | 118.6° | 120.5° |
| N9 | C8 | H48 | 110.0° | 109.6° |
| N9 | C8 | H49 | 110.0° | 109.5° |
| N9 | C21 | O22 | 114.4° | 120.0° |
| N9 | C21 | O24 | 121.7° | 120.0° |
| C11 | C10 | O12 | 122.4° | 120.0° |
| C10 | C11 | C13 | 110.0° | 109.5° |
| C10 | C11 | C15 | 110.0° | 109.5° |
| C10 | C11 | H50 | 108.2° | 109.4° |
| C13 | C11 | C15 | 112.6° | 109.5° |
| C11 | C13 | C14 | 113.8° | 109.6° |
| C13 | C11 | H50 | 108.0° | 109.4° |
| C11 | C13 | H52 | 108.4° | 109.5° |
| C11 | C13 | H51 | 108.4° | 109.4° |
| C11 | C15 | C16 | 107.6° | 108.4° |
| C15 | C11 | H50 | 108.0° | 109.4° |
| C11 | C15 | H55 | 109.9° | 109.7° |
| C11 | C15 | H56 | 109.9° | 109.7° |
| C13 | C14 | C17 | 109.9° | 108.3° |
| C14 | C13 | H52 | 108.4° | 109.5° |
| C14 | C13 | H51 | 108.4° | 109.5° |
| C13 | C14 | H54 | 109.4° | 109.7° |
| C13 | C14 | H53 | 109.4° | 109.7° |
| C14 | C17 | C16 | 125.9° | 124.3° |
| C14 | C17 | N18 | 129.9° | 129.2° |
| C17 | C14 | H54 | 109.4° | 109.7° |
| C17 | C14 | H53 | 109.4° | 109.7° |
| C15 | C16 | C17 | 124.5° | 124.2° |
| C15 | C16 | N20 | 128.0° | 129.2° |
| C16 | C15 | H55 | 110.0° | 109.7° |
| C16 | C15 | H56 | 110.0° | 109.7° |
| C17 | C16 | N20 | 107.5° | 106.7° |
| C16 | C17 | N18 | 104.3° | 106.5° |
| C16 | N20 | N19 | 109.0° | 108.6° |
| C17 | N18 | N19 | 109.7° | 108.0° |
| C17 | N18 | H57 | 125.2° | 126.0° |
| N18 | N19 | N20 | 109.6° | 110.3° |
| N19 | N18 | H57 | 125.2° | 126.0° |
| O22 | C21 | O24 | 123.9° | 120.0° |
| C21 | O22 | C23 | 119.4° | 117.0° |
| O22 | C23 | C25 | 105.5° | 109.5° |
| O22 | C23 | H58 | 110.5° | 109.4° |
| O22 | C23 | H59 | 110.4° | 109.5° |
| C23 | C25 | C26 | 117.0° | 119.9° |
| C23 | C25 | C30 | 124.7° | 120.0° |
| C25 | C23 | H58 | 110.4° | 109.5° |
| C25 | C23 | H59 | 110.5° | 109.5° |
| C26 | C25 | C30 | 118.3° | 120.1° |
| C25 | C26 | C27 | 121.4° | 120.0° |
| C25 | C26 | F37 | 116.6° | 120.0° |
| C25 | C30 | C29 | 122.5° | 120.0° |
| C25 | C30 | H62 | 118.8° | 120.0° |
| C27 | C26 | F37 | 121.9° | 120.0° |
| C26 | C27 | C28 | 116.4° | 119.9° |
| C26 | C27 | H60 | 121.8° | 120.1° |
| C27 | C28 | C29 | 121.4° | 119.9° |
| C27 | C28 | O31 | 116.5° | 120.0° |
| C28 | C27 | H60 | 121.8° | 120.0° |
| C29 | C28 | O31 | 122.0° | 120.1° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C28 | C29 | H61 | 120.0° | 120.0° |
| C28 | O31 | C32 | 114.0° | 117.0° |
| C30 | C29 | H61 | 120.1° | 120.0° |
| C29 | C30 | H62 | 118.8° | 120.0° |
| O31 | C32 | C33 | 105.2° | 109.5° |
| O31 | C32 | H64 | 110.5° | 109.4° |
| O31 | C32 | H63 | 110.5° | 109.5° |
| C32 | C33 | F34 | 116.0° | 109.5° |
| C32 | C33 | F35 | 107.5° | 109.5° |
| C32 | C33 | F36 | 110.1° | 109.5° |
| C33 | C32 | H64 | 110.6° | 109.4° |
| C33 | C32 | H63 | 110.5° | 109.5° |
| F34 | C33 | F35 | 107.0° | 109.5° |
| F34 | C33 | F36 | 107.9° | 109.4° |
| F35 | C33 | F36 | 107.9° | 109.4° |
| H52 | C13 | H51 | 109.5° | 109.4° |
| H55 | C15 | H56 | 109.5° | 109.7° |
| H58 | C23 | H59 | 109.5° | 109.5° |
| H39 | C1 | H38 | 109.5° | 112.8° |
| H40 | C3 | H41 | 109.5° | 112.8° |
| H43 | C5 | H42 | 109.5° | 109.7° |
| H45 | C6 | H44 | 109.4° | 109.6° |
| H46 | C7 | H47 | 109.5° | 109.6° |
| H48 | C8 | H49 | 109.5° | 109.7° |
| H54 | C14 | H53 | 109.5° | 109.8° |
| H64 | C32 | H63 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C4 | H39 | 115.9° | 114.7° |
| N2 | C1 | C4 | H38 | 116.0° | 114.8° |
| C1 | N2 | C3 | C10 | 179.9° | 179.9° |
| N2 | C1 | C4 | C3 | 5.1° | 25.7° |
| N2 | C1 | C4 | C6 | 110.8° | 87.9° |
| N2 | C1 | C4 | C7 | 122.0° | 139.5° |
| C1 | N2 | C10 | C11 | 0.9° | 180.0° |
| C1 | N2 | C10 | O12 | 179.6° | 0.1° |
| N2 | C1 | H39 | H38 | 130.7° | 130.9° |
| C1 | N2 | C3 | H40 | 110.4° | 88.1° |
| C1 | N2 | C3 | H41 | 121.3° | 141.4° |
| C4 | C1 | N2 | C10 | 174.6° | 153.4° |
| C1 | C4 | C3 | C6 | 113.7° | 113.7° |
| C1 | C4 | C3 | C7 | 115.6° | 113.7° |
| C1 | C4 | C6 | C7 | 127.9° | 132.9° |
| C1 | C4 | C6 | C5 | 69.5° | 75.5° |
| C1 | C4 | C7 | C8 | 67.1° | 75.5° |
| C4 | C1 | H39 | H38 | 130.7° | 130.9° |
| C1 | C4 | C3 | H40 | 110.6° | 89.0° |
| C1 | C4 | C3 | H41 | 121.0° | 140.4° |
| C1 | C4 | C6 | H45 | 170.8° | 164.6° |
| C1 | C4 | C6 | H44 | 50.3° | 44.3° |
| C1 | C4 | C7 | H46 | 52.8° | 44.3° |
| C1 | C4 | C7 | H47 | 173.0° | 164.6° |
| N2 | C3 | C4 | H40 | 115.8° | 114.8° |
| N2 | C3 | C4 | H41 | 115.8° | 114.7° |
| N2 | C3 | C4 | C6 | 108.5° | 88.0° |
| N2 | C3 | C4 | C7 | 120.8° | 139.5° |
| C3 | N2 | C10 | C11 | 179.3° | 0.1° |
| C3 | N2 | C10 | O12 | 0.3° | 179.7° |
| C3 | N2 | C1 | H39 | 121.5° | 141.4° |
| C3 | N2 | C1 | H38 | 110.4° | 88.1° |
| N2 | C3 | H40 | H41 | 130.9° | 130.8° |
| C10 | N2 | C3 | C4 | 174.7° | 153.4° |
| N2 | C10 | C11 | O12 | 179.5° | 179.8° |
| N2 | C10 | C11 | C13 | 127.8° | 179.8° |
| N2 | C10 | C11 | C15 | 107.7° | 60.1° |
| N2 | C10 | C11 | H50 | 10.0° | 59.8° |
| C10 | N2 | C1 | H39 | 58.7° | 38.7° |
| C10 | N2 | C1 | H38 | 69.4° | 91.8° |
| C10 | N2 | C3 | H40 | 69.4° | 91.8° |
| C10 | N2 | C3 | H41 | 58.9° | 38.7° |
| C3 | C4 | C6 | C7 | 132.1° | 132.9° |
| C3 | C4 | C6 | C5 | 169.5° | 169.7° |
| C3 | C4 | C7 | C8 | 168.4° | 169.7° |
| C3 | C4 | C1 | H39 | 121.1° | 140.4° |
| C3 | C4 | C1 | H38 | 110.8° | 89.1° |
| C4 | C3 | H40 | H41 | 131.0° | 130.9° |
| C3 | C4 | C6 | H45 | 70.7° | 70.4° |
| C3 | C4 | C6 | H44 | 49.7° | 49.8° |
| C3 | C4 | C7 | H46 | 48.4° | 49.8° |
| C3 | C4 | C7 | H47 | 71.7° | 70.4° |
| C4 | C6 | C5 | H45 | 119.8° | 119.9° |
| C4 | C6 | C5 | H44 | 119.8° | 119.8° |
| C4 | C6 | C5 | N9 | 55.7° | 52.3° |
| C6 | C4 | C7 | C8 | 59.9° | 57.4° |
| C6 | C4 | C1 | H39 | 5.1° | 26.7° |
| C6 | C4 | C1 | H38 | 133.2° | 157.2° |
| C6 | C4 | C3 | H40 | 135.7° | 157.3° |
| C6 | C4 | C3 | H41 | 7.4° | 26.7° |
| C4 | C6 | C5 | H43 | 175.4° | 172.1° |
| C4 | C6 | C5 | H42 | 64.1° | 67.6° |
| C4 | C6 | H45 | H44 | 120.7° | 120.2° |
| C6 | C4 | C7 | H46 | 179.8° | 177.2° |
| C6 | C4 | C7 | H47 | 60.0° | 62.5° |
| C7 | C4 | C6 | C5 | 58.4° | 57.4° |
| C4 | C7 | C8 | H46 | 119.9° | 119.8° |
| C4 | C7 | C8 | H47 | 119.9° | 119.9° |
| C4 | C7 | C8 | N9 | 58.2° | 52.3° |
| C7 | C4 | C1 | H39 | 122.0° | 105.8° |
| C7 | C4 | C1 | H38 | 6.1° | 24.6° |
| C7 | C4 | C3 | H40 | 5.0° | 24.7° |
| C7 | C4 | C3 | H41 | 123.4° | 105.9° |
| C7 | C4 | C6 | H45 | 61.4° | 62.5° |
| C7 | C4 | C6 | H44 | 178.2° | 177.2° |
| C4 | C7 | H46 | H47 | 120.2° | 120.2° |
| C4 | C7 | C8 | H48 | 61.5° | 67.5° |
| C4 | C7 | C8 | H49 | 177.8° | 172.1° |
| C6 | C5 | N9 | H43 | 119.8° | 119.7° |
| C6 | C5 | N9 | H42 | 119.8° | 119.8° |
| C6 | C5 | N9 | C8 | 61.4° | 55.7° |
| C6 | C5 | N9 | C21 | 152.7° | 124.4° |
| C6 | C5 | H43 | H42 | 120.8° | 120.3° |
| C5 | C6 | H45 | H44 | 120.8° | 120.2° |
| C5 | N9 | C8 | C7 | 61.9° | 55.7° |
| C5 | N9 | C8 | C21 | 145.2° | 179.9° |
| C5 | N9 | C21 | O22 | 8.0° | 180.0° |
| C5 | N9 | C21 | O24 | 170.0° | 0.0° |
| N9 | C5 | H43 | H42 | 120.7° | 120.4° |
| N9 | C5 | C6 | H45 | 64.1° | 67.6° |
| N9 | C5 | C6 | H44 | 175.5° | 172.1° |
| C5 | N9 | C8 | H48 | 57.7° | 64.1° |
| C5 | N9 | C8 | H49 | 178.4° | 175.5° |
| C7 | C8 | N9 | H48 | 119.6° | 119.8° |
| C7 | C8 | N9 | H49 | 119.7° | 119.8° |
| C7 | C8 | N9 | C21 | 152.9° | 124.4° |
| C8 | C7 | H46 | H47 | 120.2° | 120.2° |
| C7 | C8 | H48 | H49 | 121.1° | 120.4° |
| C8 | N9 | C21 | O22 | 152.7° | 0.0° |
| C8 | N9 | C21 | O24 | 25.3° | 180.0° |
| C8 | N9 | C5 | H43 | 178.9° | 175.4° |
| C8 | N9 | C5 | H42 | 58.4° | 64.1° |
| N9 | C8 | C7 | H46 | 178.1° | 172.2° |
| N9 | C8 | C7 | H47 | 61.7° | 67.6° |
| N9 | C8 | H48 | H49 | 121.1° | 120.3° |
| N9 | C21 | O22 | O24 | 178.0° | 180.0° |
| N9 | C21 | O22 | C23 | 164.1° | 180.0° |
| C21 | N9 | C5 | H43 | 33.0° | 4.6° |
| C21 | N9 | C5 | H42 | 87.5° | 115.8° |
| C21 | N9 | C8 | H48 | 87.5° | 115.8° |
| C21 | N9 | C8 | H49 | 33.2° | 4.6° |
| C10 | C11 | C13 | C15 | 123.0° | 120.1° |
| C10 | C11 | C13 | H50 | 117.9° | 119.9° |
| C10 | C11 | C15 | H50 | 117.9° | 120.0° |
| C10 | C11 | C13 | C14 | 177.5° | 169.9° |
| C10 | C11 | C15 | C16 | 173.3° | 169.9° |
| C10 | C11 | C13 | H52 | 56.9° | 49.8° |
| C10 | C11 | C13 | H51 | 61.8° | 70.1° |
| C10 | C11 | C15 | H55 | 53.6° | 50.1° |
| C10 | C11 | C15 | H56 | 67.0° | 70.4° |
| O12 | C10 | C11 | C13 | 51.7° | 0.1° |
| O12 | C10 | C11 | C15 | 72.8° | 120.0° |
| O12 | C10 | C11 | H50 | 169.5° | 120.0° |
| C13 | C11 | C15 | H50 | 119.1° | 120.0° |
| C11 | C13 | C14 | H52 | 120.6° | 120.1° |
| C11 | C13 | C14 | H51 | 120.6° | 120.0° |
| C11 | C13 | C14 | C17 | 33.1° | 49.7° |
| C13 | C11 | C15 | C16 | 50.3° | 49.8° |
| C11 | C13 | H52 | H51 | 118.0° | 119.9° |
| C13 | C11 | C15 | H55 | 69.4° | 70.0° |
| C13 | C11 | C15 | H56 | 170.0° | 169.5° |
| C11 | C13 | C14 | H54 | 87.0° | 70.0° |
| C11 | C13 | C14 | H53 | 153.1° | 169.4° |
| C15 | C11 | C13 | C14 | 59.5° | 70.0° |
| C11 | C15 | C16 | H55 | 119.7° | 119.7° |
| C11 | C15 | C16 | H56 | 119.7° | 119.7° |
| C11 | C15 | C16 | C17 | 21.7° | 16.5° |
| C11 | C15 | C16 | N20 | 157.3° | 163.5° |
| C15 | C11 | C13 | H52 | 179.9° | 169.9° |
| C15 | C11 | C13 | H51 | 61.2° | 50.0° |
| C11 | C15 | H55 | H56 | 120.8° | 120.5° |
| C13 | C14 | C17 | H54 | 120.0° | 119.7° |
| C13 | C14 | C17 | H53 | 120.1° | 119.7° |
| C13 | C14 | C17 | C16 | 3.8° | 16.4° |
| C13 | C14 | C17 | N18 | 175.7° | 163.5° |
| C14 | C13 | C11 | H50 | 59.6° | 49.9° |
| C14 | C13 | H52 | H51 | 118.0° | 119.9° |
| C13 | C14 | H54 | H53 | 119.8° | 120.6° |
| C14 | C17 | C16 | C15 | 1.6° | 0.3° |
| C14 | C17 | C16 | N18 | 179.5° | 179.9° |
| C14 | C17 | C16 | N20 | 179.2° | 179.8° |
| C14 | C17 | N18 | N19 | 179.4° | 179.8° |
| C17 | C14 | C13 | H52 | 153.7° | 169.8° |
| C17 | C14 | C13 | H51 | 87.6° | 70.4° |
| C17 | C14 | H54 | H53 | 119.8° | 120.6° |
| C14 | C17 | N18 | H57 | 0.6° | 0.3° |
| C15 | C16 | C17 | N20 | 179.2° | 180.0° |
| C15 | C16 | C17 | N18 | 178.8° | 179.9° |
| C15 | C16 | N20 | N19 | 178.7° | 179.9° |
| C16 | C15 | C11 | H50 | 68.8° | 70.2° |
| C16 | C15 | H55 | H56 | 120.9° | 120.6° |
| C16 | C17 | N18 | N19 | 0.1° | 0.1° |
| C17 | C16 | N20 | N19 | 0.5° | 0.1° |
| C17 | C16 | C15 | H55 | 98.0° | 103.2° |
| C17 | C16 | C15 | H56 | 141.4° | 136.2° |
| C16 | C17 | C14 | H54 | 116.3° | 103.3° |
| C16 | C17 | C14 | H53 | 123.8° | 136.1° |
| C16 | C17 | N18 | H57 | 179.9° | 179.8° |
| N20 | C16 | C17 | N18 | 0.4° | 0.1° |
| C16 | N20 | N19 | N18 | 0.5° | 0.1° |
| N20 | C16 | C15 | H55 | 83.0° | 76.8° |
| N20 | C16 | C15 | H56 | 37.6° | 43.8° |
| C17 | N18 | N19 | H57 | 180.0° | 179.9° |
| C17 | N18 | N19 | N20 | 0.2° | 0.0° |
| N18 | C17 | C14 | H54 | 64.3° | 76.8° |
| N18 | C17 | C14 | H53 | 55.6° | 43.8° |
| N20 | N19 | N18 | H57 | 179.8° | 179.9° |
| C21 | O22 | C23 | C25 | 166.5° | 180.0° |
| C21 | O22 | C23 | H58 | 74.2° | 60.0° |
| C21 | O22 | C23 | H59 | 47.1° | 59.9° |
| O24 | C21 | O22 | C23 | 17.9° | 0.0° |
| O22 | C23 | C25 | H58 | 119.4° | 120.0° |
| O22 | C23 | C25 | H59 | 119.3° | 120.0° |
| O22 | C23 | C25 | C26 | 109.0° | 180.0° |
| O22 | C23 | C25 | C30 | 73.2° | 0.3° |
| O22 | C23 | H58 | H59 | 121.8° | 120.0° |
| C23 | C25 | C26 | C30 | 177.9° | 179.7° |
| C23 | C25 | C26 | C27 | 177.3° | 180.0° |
| C23 | C25 | C26 | F37 | 0.3° | 0.0° |
| C23 | C25 | C30 | C29 | 174.2° | 179.7° |
| C25 | C23 | H58 | H59 | 121.8° | 120.0° |
| C23 | C25 | C30 | H62 | 5.7° | 0.0° |
| C25 | C26 | C27 | F37 | 176.9° | 180.0° |
| C25 | C26 | C27 | C28 | 3.0° | 0.0° |
| C26 | C25 | C30 | C29 | 3.5° | 0.6° |
| C26 | C25 | C23 | H58 | 10.4° | 60.0° |
| C26 | C25 | C23 | H59 | 131.6° | 60.0° |
| C25 | C26 | C27 | H60 | 177.0° | 179.9° |
| C26 | C25 | C30 | H62 | 176.5° | 179.7° |
| C30 | C25 | C26 | C27 | 0.6° | 0.3° |
| C30 | C25 | C26 | F37 | 177.6° | 179.7° |
| C25 | C30 | C29 | C28 | 2.6° | 0.5° |
| C25 | C30 | C29 | H62 | 180.0° | 179.7° |
| C30 | C25 | C23 | H58 | 167.4° | 119.7° |
| C30 | C25 | C23 | H59 | 46.2° | 120.3° |
| C25 | C30 | C29 | H61 | 177.4° | 179.7° |
| C26 | C27 | C28 | H60 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 3.9° | 0.0° |
| C26 | C27 | C28 | O31 | 179.6° | 180.0° |
| F37 | C26 | C27 | C28 | 173.9° | 180.0° |
| F37 | C26 | C27 | H60 | 6.1° | 0.0° |
| C27 | C28 | C29 | O31 | 176.3° | 180.0° |
| C27 | C28 | C29 | C30 | 1.3° | 0.2° |
| C27 | C28 | O31 | C32 | 10.3° | 180.0° |
| C27 | C28 | C29 | H61 | 178.7° | 180.0° |
| C28 | C29 | C30 | H61 | 180.0° | 179.8° |
| C29 | C28 | O31 | C32 | 166.2° | 0.1° |
| C29 | C28 | C27 | H60 | 176.0° | 180.0° |
| C28 | C29 | C30 | H62 | 177.4° | 179.7° |
| O31 | C28 | C29 | C30 | 177.6° | 179.7° |
| C28 | O31 | C32 | C33 | 105.3° | 180.0° |
| O31 | C28 | C27 | H60 | 0.5° | 0.1° |
| O31 | C28 | C29 | H61 | 2.4° | 0.1° |
| C28 | O31 | C32 | H64 | 135.4° | 60.1° |
| C28 | O31 | C32 | H63 | 14.0° | 59.9° |
| O31 | C32 | C33 | H64 | 119.3° | 120.0° |
| O31 | C32 | C33 | H63 | 119.3° | 120.1° |
| O31 | C32 | C33 | F34 | 40.9° | 59.9° |
| O31 | C32 | C33 | F35 | 160.6° | 180.0° |
| O31 | C32 | C33 | F36 | 82.0° | 60.0° |
| O31 | C32 | H64 | H63 | 122.0° | 120.0° |
| C32 | C33 | F34 | F35 | 119.9° | 120.1° |
| C32 | C33 | F34 | F36 | 124.1° | 120.0° |
| C32 | C33 | F35 | F36 | 118.8° | 120.0° |
| C33 | C32 | H64 | H63 | 122.0° | 120.0° |
| F34 | C33 | F35 | F36 | 116.0° | 120.0° |
| F34 | C33 | C32 | H64 | 78.4° | 60.0° |
| F34 | C33 | C32 | H63 | 160.2° | 180.0° |
| F35 | C33 | C32 | H64 | 41.3° | 60.0° |
| F35 | C33 | C32 | H63 | 80.1° | 59.9° |
| F36 | C33 | C32 | H64 | 158.7° | 180.0° |
| F36 | C33 | C32 | H63 | 37.3° | 60.1° |
| H50 | C11 | C13 | H52 | 61.0° | 70.1° |
| H50 | C11 | C13 | H51 | 179.7° | 170.0° |
| H50 | C11 | C15 | H55 | 171.4° | 170.1° |
| H50 | C11 | C15 | H56 | 50.9° | 49.5° |
| H52 | C13 | C14 | H54 | 33.6° | 50.1° |
| H52 | C13 | C14 | H53 | 86.3° | 70.6° |
| H51 | C13 | C14 | H54 | 152.4° | 170.0° |
| H51 | C13 | C14 | H53 | 32.5° | 49.3° |
| H43 | C5 | C6 | H45 | 55.7° | 52.1° |
| H43 | C5 | C6 | H44 | 64.8° | 68.1° |
| H42 | C5 | C6 | H45 | 176.2° | 172.5° |
| H42 | C5 | C6 | H44 | 55.7° | 52.3° |
| H46 | C7 | C8 | H48 | 58.5° | 52.3° |
| H46 | C7 | C8 | H49 | 62.2° | 68.1° |
| H47 | C7 | C8 | H48 | 178.6° | 172.6° |
| H47 | C7 | C8 | H49 | 57.9° | 52.1° |
| H61 | C29 | C30 | H62 | 2.6° | 0.1° |
