YX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.43Å | 1.44Å | |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C38 | C15 | sing | 1.53Å | 1.52Å | |
| C27 | N3 | sing | 1.46Å | 1.50Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| F34 | C9 | sing | 1.35Å | 1.33Å | |
| C15 | C8 | sing | 1.51Å | 1.54Å | |
| C15 | O36 | sing | 1.43Å | 1.44Å | |
| C15 | C35 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| N3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.45Å | Aromatic |
| C5 | N13 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | N33 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.47Å | |
| N19 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| N19 | N18 | sing | 1.29Å | 1.36Å | Aromatic |
| N33 | C32 | sing | 1.32Å | 1.35Å | Aromatic |
| F37 | C29 | sing | 1.35Å | 1.35Å | |
| C14 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| N18 | N17 | doub | 1.29Å | 1.32Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | C39 | sing | 1.51Å | 1.50Å | |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.08Å | 1.08Å | |
| C27 | H59 | sing | 1.09Å | 1.10Å | |
| C6 | H43 | sing | 1.08Å | 1.08Å | |
| C7 | H44 | sing | 1.08Å | 1.08Å | |
| C10 | H45 | sing | 1.08Å | 1.08Å | |
| C25 | H56 | sing | 1.09Å | 1.10Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C26 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.08Å | 1.08Å | |
| C31 | H61 | sing | 1.08Å | 1.08Å | |
| C32 | H62 | sing | 1.08Å | 1.08Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| O36 | H66 | sing | 0.97Å | 0.95Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O22 | C23 | 111.9° | 114.1° |
| O22 | C21 | C26 | 112.4° | 109.4° |
| O22 | C21 | H51 | 108.7° | 109.5° |
| O22 | C21 | H50 | 108.7° | 109.5° |
| O22 | C23 | C24 | 110.4° | 109.5° |
| O22 | C23 | H53 | 109.2° | 109.5° |
| O22 | C23 | H52 | 109.2° | 109.5° |
| C21 | C26 | C25 | 111.4° | 109.2° |
| C26 | C21 | H51 | 108.7° | 109.5° |
| C26 | C21 | H50 | 108.7° | 109.4° |
| C21 | C26 | H58 | 109.0° | 109.5° |
| C21 | C26 | H57 | 109.0° | 109.6° |
| C23 | C24 | C25 | 109.8° | 109.1° |
| C24 | C23 | H53 | 109.2° | 109.5° |
| C24 | C23 | H52 | 109.2° | 109.5° |
| C23 | C24 | H55 | 109.4° | 109.5° |
| C23 | C24 | H54 | 109.4° | 109.5° |
| C26 | C25 | C24 | 108.9° | 109.0° |
| C26 | C25 | C27 | 110.0° | 109.5° |
| C26 | C25 | H56 | 109.0° | 109.6° |
| C25 | C26 | H58 | 109.0° | 109.5° |
| C25 | C26 | H57 | 109.0° | 109.5° |
| C24 | C25 | C27 | 110.9° | 109.5° |
| C25 | C24 | H55 | 109.4° | 109.5° |
| C25 | C24 | H54 | 109.4° | 109.6° |
| C24 | C25 | H56 | 109.0° | 109.6° |
| C25 | C27 | N3 | 113.1° | 109.5° |
| C25 | C27 | C28 | 117.2° | 109.5° |
| C25 | C27 | H59 | 105.9° | 109.4° |
| C27 | C25 | H56 | 109.0° | 109.5° |
| C38 | C15 | C8 | 111.2° | 109.4° |
| C38 | C15 | O36 | 106.9° | 109.5° |
| C38 | C15 | C35 | 110.5° | 109.5° |
| C15 | C38 | H67 | 109.5° | 109.5° |
| C15 | C38 | H68 | 109.4° | 109.4° |
| C15 | C38 | H69 | 109.5° | 109.4° |
| N3 | C27 | C28 | 107.7° | 109.5° |
| C27 | N3 | C2 | 126.4° | 124.9° |
| C27 | N3 | C4 | 126.5° | 124.9° |
| N3 | C27 | H59 | 106.2° | 109.5° |
| C27 | C28 | N33 | 118.2° | 119.7° |
| C27 | C28 | C29 | 119.8° | 119.6° |
| C28 | C27 | H59 | 106.0° | 109.5° |
| F34 | C9 | C8 | 118.7° | 120.0° |
| F34 | C9 | C2 | 118.5° | 120.1° |
| C8 | C15 | O36 | 110.3° | 109.5° |
| C8 | C15 | C35 | 111.1° | 109.5° |
| C15 | C8 | C9 | 123.9° | 119.7° |
| C15 | C8 | C7 | 119.2° | 119.7° |
| O36 | C15 | C35 | 106.6° | 109.5° |
| C15 | O36 | H66 | 109.5° | 114.0° |
| C15 | C35 | H63 | 109.5° | 109.5° |
| C15 | C35 | H64 | 109.4° | 109.4° |
| C15 | C35 | H65 | 109.5° | 109.5° |
| C8 | C9 | C2 | 122.8° | 120.0° |
| C9 | C8 | C7 | 116.9° | 120.6° |
| C9 | C2 | N3 | 132.2° | 132.3° |
| C9 | C2 | C1 | 118.9° | 119.4° |
| C8 | C7 | C6 | 122.1° | 120.3° |
| C8 | C7 | H44 | 119.0° | 119.9° |
| C2 | N3 | C4 | 106.8° | 110.2° |
| N3 | C2 | C1 | 108.9° | 108.4° |
| N3 | C4 | C5 | 110.8° | 108.5° |
| N3 | C4 | C10 | 130.9° | 132.4° |
| C2 | C1 | C6 | 119.7° | 120.0° |
| C2 | C1 | C5 | 106.4° | 106.6° |
| C20 | N19 | C14 | 129.1° | 126.0° |
| C20 | N19 | N18 | 120.8° | 126.0° |
| N19 | C20 | H48 | 109.5° | 109.5° |
| N19 | C20 | H47 | 109.5° | 109.4° |
| N19 | C20 | H49 | 109.5° | 109.5° |
| C7 | C6 | C1 | 119.7° | 119.8° |
| C7 | C6 | H43 | 120.2° | 120.1° |
| C6 | C7 | H44 | 119.0° | 119.8° |
| C5 | C4 | C10 | 118.1° | 119.0° |
| C4 | C5 | C1 | 107.1° | 106.3° |
| C4 | C5 | N13 | 125.3° | 120.7° |
| C4 | C10 | C11 | 118.3° | 118.3° |
| C4 | C10 | H45 | 120.8° | 120.9° |
| C6 | C1 | C5 | 133.8° | 133.3° |
| C1 | C6 | H43 | 120.1° | 120.1° |
| C1 | C5 | N13 | 127.4° | 133.0° |
| C5 | N13 | C12 | 116.5° | 121.7° |
| C10 | C11 | C12 | 118.2° | 119.2° |
| C10 | C11 | C14 | 120.3° | 120.4° |
| C11 | C10 | H45 | 120.8° | 120.8° |
| N33 | C28 | C29 | 121.9° | 120.7° |
| C28 | N33 | C32 | 118.2° | 121.8° |
| C28 | C29 | F37 | 121.0° | 120.5° |
| C28 | C29 | C30 | 119.8° | 119.1° |
| N13 | C12 | C11 | 123.6° | 121.0° |
| N13 | C12 | H46 | 118.2° | 119.5° |
| C12 | C11 | C14 | 121.3° | 120.4° |
| C11 | C12 | H46 | 118.2° | 119.5° |
| C11 | C14 | N19 | 124.7° | 127.1° |
| C11 | C14 | C16 | 129.8° | 127.1° |
| C14 | N19 | N18 | 110.0° | 108.0° |
| N19 | C14 | C16 | 105.5° | 105.8° |
| N19 | N18 | N17 | 106.9° | 110.6° |
| N33 | C32 | C31 | 123.2° | 120.8° |
| N33 | C32 | H62 | 118.4° | 119.6° |
| F37 | C29 | C30 | 119.1° | 120.4° |
| C14 | C16 | N17 | 107.8° | 106.4° |
| C14 | C16 | C39 | 129.6° | 126.9° |
| N18 | N17 | C16 | 109.7° | 109.3° |
| C29 | C30 | C31 | 118.3° | 118.4° |
| C29 | C30 | H60 | 120.9° | 120.8° |
| N17 | C16 | C39 | 122.6° | 126.8° |
| C16 | C39 | H42 | 109.5° | 109.4° |
| C16 | C39 | H41 | 109.5° | 109.4° |
| C16 | C39 | H40 | 109.5° | 109.5° |
| C32 | C31 | C30 | 118.7° | 119.2° |
| C32 | C31 | H61 | 120.6° | 120.4° |
| C31 | C32 | H62 | 118.4° | 119.6° |
| C31 | C30 | H60 | 120.9° | 120.8° |
| C30 | C31 | H61 | 120.7° | 120.4° |
| H48 | C20 | H47 | 109.4° | 109.4° |
| H48 | C20 | H49 | 109.5° | 109.5° |
| H47 | C20 | H49 | 109.5° | 109.5° |
| H51 | C21 | H50 | 109.4° | 109.5° |
| H53 | C23 | H52 | 109.5° | 109.5° |
| H55 | C24 | H54 | 109.5° | 109.5° |
| H58 | C26 | H57 | 109.5° | 109.6° |
| H63 | C35 | H64 | 109.4° | 109.4° |
| H63 | C35 | H65 | 109.5° | 109.6° |
| H64 | C35 | H65 | 109.5° | 109.5° |
| H67 | C38 | H68 | 109.5° | 109.5° |
| H67 | C38 | H69 | 109.5° | 109.5° |
| H68 | C38 | H69 | 109.5° | 109.5° |
| H42 | C39 | H41 | 109.4° | 109.5° |
| H42 | C39 | H40 | 109.5° | 109.5° |
| H41 | C39 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C26 | H51 | 120.5° | 120.0° |
| O22 | C21 | C26 | H50 | 120.4° | 120.0° |
| C21 | O22 | C23 | C24 | 62.9° | 61.1° |
| O22 | C21 | C26 | C25 | 51.1° | 57.6° |
| O22 | C21 | H51 | H50 | 118.6° | 120.1° |
| C21 | O22 | C23 | H53 | 177.0° | 58.8° |
| C21 | O22 | C23 | H52 | 57.2° | 178.8° |
| O22 | C21 | C26 | H58 | 171.4° | 177.5° |
| O22 | C21 | C26 | H57 | 69.2° | 62.3° |
| C23 | O22 | C21 | C26 | 57.6° | 61.2° |
| O22 | C23 | C24 | H53 | 120.1° | 120.0° |
| O22 | C23 | C24 | H52 | 120.1° | 120.0° |
| O22 | C23 | C24 | C25 | 61.9° | 57.6° |
| C23 | O22 | C21 | H51 | 62.9° | 58.8° |
| C23 | O22 | C21 | H50 | 178.0° | 178.9° |
| O22 | C23 | H53 | H52 | 119.6° | 120.0° |
| O22 | C23 | C24 | H55 | 58.1° | 62.3° |
| O22 | C23 | C24 | H54 | 178.0° | 177.5° |
| C21 | C26 | C25 | H58 | 120.3° | 119.9° |
| C21 | C26 | C25 | H57 | 120.3° | 120.0° |
| C21 | C26 | C25 | C24 | 49.8° | 57.0° |
| C21 | C26 | C25 | C27 | 171.5° | 176.9° |
| C26 | C21 | H51 | H50 | 118.7° | 120.0° |
| C21 | C26 | C25 | H56 | 69.0° | 62.9° |
| C21 | C26 | H58 | H57 | 119.1° | 120.2° |
| C23 | C24 | C25 | C26 | 54.9° | 57.0° |
| C23 | C24 | C25 | H55 | 120.0° | 119.9° |
| C23 | C24 | C25 | H54 | 120.1° | 119.9° |
| C23 | C24 | C25 | C27 | 176.1° | 176.8° |
| C24 | C23 | H53 | H52 | 119.6° | 120.0° |
| C23 | C24 | H55 | H54 | 119.9° | 120.2° |
| C23 | C24 | C25 | H56 | 63.9° | 63.0° |
| C26 | C25 | C24 | C27 | 121.2° | 119.9° |
| C26 | C25 | C24 | H56 | 118.8° | 120.0° |
| C26 | C25 | C27 | H56 | 119.5° | 120.3° |
| C26 | C25 | C27 | N3 | 53.8° | 60.4° |
| C26 | C25 | C27 | C28 | 179.9° | 179.5° |
| C25 | C26 | C21 | H51 | 69.3° | 62.3° |
| C25 | C26 | C21 | H50 | 171.6° | 177.6° |
| C26 | C25 | C24 | H55 | 65.1° | 62.9° |
| C26 | C25 | C24 | H54 | 175.0° | 176.9° |
| C26 | C25 | C27 | H59 | 62.1° | 59.6° |
| C25 | C26 | H58 | H57 | 119.2° | 120.1° |
| C24 | C25 | C27 | H56 | 120.0° | 120.2° |
| C24 | C25 | C27 | N3 | 174.2° | 180.0° |
| C24 | C25 | C27 | C28 | 59.6° | 60.0° |
| C25 | C24 | C23 | H53 | 177.9° | 62.4° |
| C25 | C24 | C23 | H52 | 58.2° | 177.6° |
| C25 | C24 | H55 | H54 | 119.9° | 120.2° |
| C24 | C25 | C27 | H59 | 58.3° | 60.0° |
| C24 | C25 | C26 | H58 | 170.1° | 176.9° |
| C24 | C25 | C26 | H57 | 70.5° | 62.9° |
| C25 | C27 | N3 | C28 | 131.1° | 120.0° |
| C25 | C27 | N3 | H59 | 115.7° | 120.0° |
| C25 | C27 | C28 | H59 | 117.9° | 120.0° |
| C25 | C27 | N3 | C2 | 117.5° | 126.3° |
| C25 | C27 | N3 | C4 | 55.1° | 53.7° |
| C25 | C27 | C28 | N33 | 40.2° | 53.2° |
| C25 | C27 | C28 | C29 | 136.6° | 126.6° |
| C27 | C25 | C24 | H55 | 56.0° | 56.9° |
| C27 | C25 | C24 | H54 | 63.9° | 63.2° |
| C27 | C25 | C26 | H58 | 68.3° | 63.2° |
| C27 | C25 | C26 | H57 | 51.2° | 56.9° |
| C38 | C15 | C8 | O36 | 118.4° | 120.0° |
| C38 | C15 | C8 | C35 | 123.6° | 120.0° |
| C38 | C15 | O36 | C35 | 118.2° | 120.0° |
| C38 | C15 | C8 | C9 | 61.7° | 60.0° |
| C38 | C15 | C8 | C7 | 120.3° | 120.0° |
| C38 | C15 | C35 | H63 | 180.0° | 180.0° |
| C38 | C15 | C35 | H64 | 60.0° | 60.0° |
| C38 | C15 | C35 | H65 | 60.0° | 59.9° |
| C38 | C15 | O36 | H66 | 180.0° | 180.0° |
| C15 | C38 | H67 | H68 | 120.0° | 120.0° |
| C15 | C38 | H67 | H69 | 120.0° | 120.0° |
| C15 | C38 | H68 | H69 | 120.0° | 120.0° |
| N3 | C27 | C28 | H59 | 113.3° | 120.0° |
| C27 | N3 | C2 | C9 | 9.4° | 0.0° |
| C27 | N3 | C2 | C4 | 173.8° | 180.0° |
| C27 | N3 | C2 | C1 | 172.8° | 180.0° |
| C27 | N3 | C4 | C5 | 172.4° | 180.0° |
| C27 | N3 | C4 | C10 | 11.7° | 0.9° |
| N3 | C27 | C28 | N33 | 88.6° | 66.9° |
| N3 | C27 | C28 | C29 | 94.7° | 113.4° |
| N3 | C27 | C25 | H56 | 65.8° | 59.9° |
| C28 | C27 | N3 | C2 | 111.5° | 113.7° |
| C28 | C27 | N3 | C4 | 76.0° | 66.3° |
| C27 | C28 | N33 | C29 | 176.7° | 179.7° |
| C27 | C28 | N33 | C32 | 177.8° | 179.7° |
| C27 | C28 | C29 | F37 | 1.0° | 0.1° |
| C27 | C28 | C29 | C30 | 177.8° | 180.0° |
| C28 | C27 | C25 | H56 | 60.4° | 60.2° |
| F34 | C9 | C8 | C15 | 1.3° | 0.0° |
| F34 | C9 | C8 | C2 | 179.2° | 180.0° |
| F34 | C9 | C8 | C7 | 179.3° | 180.0° |
| F34 | C9 | C2 | N3 | 1.9° | 0.1° |
| F34 | C9 | C2 | C1 | 179.5° | 180.0° |
| C8 | C15 | O36 | C35 | 120.7° | 120.0° |
| C15 | C8 | C9 | C7 | 178.0° | 180.0° |
| C15 | C8 | C9 | C2 | 177.9° | 180.0° |
| C15 | C8 | C7 | C6 | 177.9° | 180.0° |
| C15 | C8 | C7 | H44 | 2.1° | 0.0° |
| C8 | C15 | C35 | H63 | 56.0° | 60.1° |
| C8 | C15 | C35 | H64 | 176.0° | 180.0° |
| C8 | C15 | C35 | H65 | 64.0° | 60.0° |
| C8 | C15 | O36 | H66 | 59.0° | 60.0° |
| C8 | C15 | C38 | H67 | 180.0° | 60.0° |
| C8 | C15 | C38 | H68 | 60.0° | 180.0° |
| C8 | C15 | C38 | H69 | 60.0° | 60.0° |
| O36 | C15 | C8 | C9 | 179.9° | 180.0° |
| O36 | C15 | C8 | C7 | 1.9° | 0.0° |
| O36 | C15 | C35 | H63 | 64.2° | 60.0° |
| O36 | C15 | C35 | H64 | 55.8° | 60.0° |
| O36 | C15 | C35 | H65 | 175.8° | 179.9° |
| O36 | C15 | C38 | H67 | 59.6° | 180.0° |
| O36 | C15 | C38 | H68 | 60.5° | 60.0° |
| O36 | C15 | C38 | H69 | 179.6° | 60.0° |
| C35 | C15 | C8 | C9 | 61.9° | 60.0° |
| C35 | C15 | C8 | C7 | 116.1° | 120.0° |
| C15 | C35 | H63 | H64 | 120.0° | 119.9° |
| C15 | C35 | H63 | H65 | 120.0° | 120.0° |
| C15 | C35 | H64 | H65 | 120.0° | 120.0° |
| C35 | C15 | O36 | H66 | 61.8° | 60.0° |
| C35 | C15 | C38 | H67 | 56.0° | 60.0° |
| C35 | C15 | C38 | H68 | 176.1° | 60.0° |
| C35 | C15 | C38 | H69 | 63.9° | 180.0° |
| C8 | C9 | C2 | N3 | 177.3° | 180.0° |
| C8 | C9 | C2 | C1 | 0.3° | 0.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H44 | 179.8° | 179.9° |
| C2 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C2 | N3 | C1 | 177.8° | 179.9° |
| C9 | C2 | N3 | C4 | 176.8° | 180.0° |
| C9 | C2 | C1 | C6 | 0.6° | 0.0° |
| C9 | C2 | C1 | C5 | 177.9° | 180.0° |
| C8 | C7 | C6 | H44 | 180.0° | 179.9° |
| C8 | C7 | C6 | C1 | 0.5° | 0.0° |
| C8 | C7 | C6 | H43 | 179.5° | 180.0° |
| C2 | N3 | C4 | C5 | 1.3° | 0.0° |
| C2 | N3 | C4 | C10 | 174.5° | 179.1° |
| N3 | C2 | C1 | C6 | 177.5° | 180.0° |
| N3 | C2 | C1 | C5 | 0.2° | 0.0° |
| C2 | N3 | C27 | H59 | 1.7° | 6.3° |
| C4 | N3 | C2 | C1 | 0.9° | 0.0° |
| N3 | C4 | C5 | C10 | 176.4° | 179.2° |
| N3 | C4 | C5 | C1 | 1.2° | 0.0° |
| N3 | C4 | C5 | N13 | 175.8° | 180.0° |
| N3 | C4 | C10 | C11 | 174.1° | 179.5° |
| C4 | N3 | C27 | H59 | 170.8° | 173.7° |
| N3 | C4 | C10 | H45 | 5.9° | 0.6° |
| C2 | C1 | C6 | C7 | 0.7° | 0.0° |
| C2 | C1 | C5 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 176.3° | 180.0° |
| C2 | C1 | C5 | N13 | 175.0° | 180.0° |
| C2 | C1 | C6 | H43 | 179.3° | 180.0° |
| C20 | N19 | C14 | C11 | 2.3° | 0.0° |
| C20 | N19 | C14 | N18 | 177.8° | 179.8° |
| C20 | N19 | C14 | C16 | 178.1° | 179.9° |
| C20 | N19 | N18 | N17 | 177.8° | 179.9° |
| N19 | C20 | H48 | H47 | 120.0° | 119.9° |
| N19 | C20 | H48 | H49 | 120.0° | 120.0° |
| N19 | C20 | H47 | H49 | 120.0° | 120.0° |
| C7 | C6 | C1 | H43 | 180.0° | 180.0° |
| C7 | C6 | C1 | C5 | 177.0° | 180.0° |
| C4 | C5 | C1 | C6 | 176.1° | 180.0° |
| C4 | C5 | C1 | N13 | 174.5° | 180.0° |
| C5 | C4 | C10 | C11 | 1.5° | 0.5° |
| C4 | C5 | N13 | C12 | 0.7° | 0.5° |
| C5 | C4 | C10 | H45 | 178.5° | 179.6° |
| C10 | C4 | C5 | C1 | 175.3° | 179.2° |
| C10 | C4 | C5 | N13 | 0.7° | 0.8° |
| C4 | C10 | C11 | H45 | 180.0° | 179.9° |
| C4 | C10 | C11 | C12 | 1.0° | 0.0° |
| C4 | C10 | C11 | C14 | 173.4° | 179.7° |
| C6 | C1 | C5 | N13 | 1.7° | 0.0° |
| C1 | C6 | C7 | H44 | 179.5° | 180.0° |
| C1 | C5 | N13 | C12 | 172.8° | 179.5° |
| C5 | C1 | C6 | H43 | 2.9° | 0.0° |
| C5 | N13 | C12 | C11 | 1.2° | 0.1° |
| C5 | N13 | C12 | H46 | 178.8° | 180.0° |
| C10 | C11 | C12 | N13 | 0.4° | 0.3° |
| C10 | C11 | C12 | C14 | 174.3° | 179.7° |
| C10 | C11 | C14 | N19 | 140.3° | 47.5° |
| C10 | C11 | C14 | C16 | 40.2° | 132.6° |
| C10 | C11 | C12 | H46 | 179.6° | 179.8° |
| N33 | C28 | C29 | F37 | 175.6° | 179.8° |
| N33 | C28 | C29 | C30 | 1.2° | 0.3° |
| C28 | N33 | C32 | C31 | 0.6° | 0.6° |
| N33 | C28 | C27 | H59 | 158.1° | 173.1° |
| C28 | N33 | C32 | H62 | 179.5° | 179.7° |
| C29 | C28 | N33 | C32 | 1.1° | 0.5° |
| C28 | C29 | F37 | C30 | 176.9° | 179.9° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C29 | C28 | C27 | H59 | 18.6° | 6.6° |
| C28 | C29 | C30 | H60 | 179.3° | 180.0° |
| N13 | C12 | C11 | H46 | 180.0° | 179.9° |
| N13 | C12 | C11 | C14 | 174.7° | 180.0° |
| C12 | C11 | C14 | N19 | 45.4° | 132.8° |
| C12 | C11 | C14 | C16 | 134.0° | 47.1° |
| C12 | C11 | C10 | H45 | 179.0° | 179.9° |
| C11 | C14 | N19 | C16 | 179.5° | 179.9° |
| C11 | C14 | N19 | N18 | 179.8° | 179.8° |
| C11 | C14 | C16 | N17 | 179.8° | 180.0° |
| C11 | C14 | C16 | C39 | 1.0° | 0.3° |
| C14 | C11 | C12 | H46 | 5.3° | 0.1° |
| C14 | C11 | C10 | H45 | 6.6° | 0.2° |
| C14 | N19 | N18 | N17 | 0.2° | 0.4° |
| N19 | C14 | C16 | N17 | 0.7° | 0.1° |
| N19 | C14 | C16 | C39 | 178.6° | 179.7° |
| C14 | N19 | C20 | H48 | 177.6° | 85.2° |
| C14 | N19 | C20 | H47 | 57.7° | 154.9° |
| C14 | N19 | C20 | H49 | 62.3° | 34.9° |
| N18 | N19 | C14 | C16 | 0.3° | 0.2° |
| N19 | N18 | N17 | C16 | 0.7° | 0.4° |
| N18 | N19 | C20 | H48 | 0.0° | 95.1° |
| N18 | N19 | C20 | H47 | 120.0° | 24.8° |
| N18 | N19 | C20 | H49 | 120.0° | 144.9° |
| N33 | C32 | C31 | H62 | 180.0° | 179.7° |
| N33 | C32 | C31 | C30 | 0.1° | 0.3° |
| N33 | C32 | C31 | H61 | 179.9° | 179.8° |
| F37 | C29 | C30 | C31 | 176.2° | 180.0° |
| F37 | C29 | C30 | H60 | 3.8° | 0.1° |
| C14 | C16 | N17 | N18 | 0.9° | 0.3° |
| C14 | C16 | N17 | C39 | 179.3° | 179.7° |
| C14 | C16 | C39 | H42 | 179.1° | 89.6° |
| C14 | C16 | C39 | H41 | 59.2° | 30.3° |
| C14 | C16 | C39 | H40 | 60.8° | 150.3° |
| N18 | N17 | C16 | C39 | 178.4° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C29 | C30 | C31 | H60 | 180.0° | 180.0° |
| C29 | C30 | C31 | H61 | 179.8° | 179.9° |
| N17 | C16 | C39 | H42 | 0.0° | 90.0° |
| N17 | C16 | C39 | H41 | 120.0° | 150.1° |
| N17 | C16 | C39 | H40 | 120.0° | 30.1° |
| C16 | C39 | H42 | H41 | 120.0° | 119.9° |
| C16 | C39 | H42 | H40 | 120.0° | 120.0° |
| C16 | C39 | H41 | H40 | 120.0° | 120.0° |
| C32 | C31 | C30 | H61 | 180.0° | 179.9° |
| C32 | C31 | C30 | H60 | 179.8° | 180.0° |
| C30 | C31 | C32 | H62 | 179.9° | 180.0° |
| H48 | C20 | H47 | H49 | 120.0° | 120.0° |
| H51 | C21 | C26 | H58 | 50.9° | 57.6° |
| H51 | C21 | C26 | H57 | 170.4° | 177.8° |
| H50 | C21 | C26 | H58 | 68.2° | 62.5° |
| H50 | C21 | C26 | H57 | 51.3° | 57.7° |
| H53 | C23 | C24 | H55 | 62.0° | 177.7° |
| H53 | C23 | C24 | H54 | 57.9° | 57.6° |
| H52 | C23 | C24 | H55 | 178.2° | 57.7° |
| H52 | C23 | C24 | H54 | 61.9° | 62.5° |
| H55 | C24 | C25 | H56 | 176.1° | 177.1° |
| H54 | C24 | C25 | H56 | 56.2° | 56.9° |
| H59 | C27 | C25 | H56 | 178.3° | 179.8° |
| H43 | C6 | C7 | H44 | 0.5° | 0.0° |
| H56 | C25 | C26 | H58 | 51.3° | 57.0° |
| H56 | C25 | C26 | H57 | 170.7° | 177.1° |
| H60 | C30 | C31 | H61 | 0.2° | 0.1° |
| H61 | C31 | C32 | H62 | 0.1° | 0.1° |
| H63 | C35 | H64 | H65 | 120.0° | 120.1° |
| H67 | C38 | H68 | H69 | 120.0° | 120.1° |
| H42 | C39 | H41 | H40 | 120.0° | 120.1° |
