23Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | N3 | sing | 1.35Å | 1.34Å | |
| C1 | C43 | sing | 1.51Å | 1.50Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.36Å | 1.47Å | Aromatic |
| C6 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | sing | 1.40Å | 1.48Å | Aromatic |
| C9 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C23 | sing | 1.48Å | 1.48Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.41Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | O14 | sing | 1.43Å | 1.44Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.47Å | 1.46Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| N16 | C21 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | O42 | sing | 1.43Å | 1.43Å | |
| C22 | C44 | sing | 1.53Å | 1.53Å | |
| C22 | C45 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.49Å | Aromatic |
| C26 | C38 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | S29 | sing | 1.76Å | 1.69Å | |
| S29 | C30 | sing | 1.81Å | 1.77Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | N33 | sing | 1.35Å | 1.34Å | |
| N33 | C34 | sing | 1.37Å | 1.46Å | Aromatic |
| N33 | C37 | sing | 1.37Å | 1.46Å | Aromatic |
| C34 | C35 | doub | 1.35Å | 1.52Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.51Å | Aromatic |
| C36 | C37 | doub | 1.35Å | 1.53Å | Aromatic |
| C38 | F39 | sing | 1.40Å | 1.32Å | |
| C38 | F40 | sing | 1.40Å | 1.31Å | |
| C38 | F41 | sing | 1.40Å | 1.32Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N3 | 121.7° | 120.0° |
| O2 | C1 | C43 | 120.5° | 120.0° |
| N3 | C1 | C43 | 117.7° | 120.0° |
| C1 | N3 | C4 | 125.7° | 120.8° |
| C1 | N3 | C8 | 120.4° | 120.8° |
| C1 | C43 | H43 | 109.5° | 109.4° |
| C1 | C43 | H43A | 109.4° | 109.5° |
| C1 | C43 | H43B | 109.5° | 109.4° |
| C4 | N3 | C8 | 113.9° | 118.3° |
| N3 | C4 | C5 | 109.2° | 109.1° |
| N3 | C4 | H4 | 109.5° | 109.5° |
| N3 | C4 | H4A | 109.5° | 109.5° |
| N3 | C8 | C7 | 105.7° | 107.5° |
| N3 | C8 | H8 | 110.7° | 109.9° |
| N3 | C8 | H8A | 110.7° | 109.9° |
| C4 | C5 | C6 | 107.9° | 108.8° |
| C5 | C4 | H4 | 109.6° | 109.5° |
| C5 | C4 | H4A | 109.6° | 109.5° |
| C4 | C5 | H5 | 110.0° | 109.6° |
| C4 | C5 | H5A | 110.0° | 109.6° |
| C5 | C6 | C7 | 122.2° | 124.5° |
| C5 | C6 | N11 | 132.3° | 127.7° |
| C6 | C5 | H5 | 110.0° | 109.6° |
| C6 | C5 | H5A | 110.0° | 109.6° |
| C7 | C6 | N11 | 105.4° | 107.8° |
| C6 | C7 | C8 | 122.3° | 123.9° |
| C6 | C7 | C9 | 106.3° | 108.1° |
| C6 | N11 | N10 | 112.2° | 108.1° |
| C6 | N11 | C12 | 133.8° | 125.9° |
| C8 | C7 | C9 | 131.3° | 128.0° |
| C7 | C8 | H8 | 110.7° | 109.9° |
| C7 | C8 | H8A | 110.7° | 109.7° |
| C7 | C9 | N10 | 106.4° | 107.8° |
| C7 | C9 | C23 | 126.6° | 126.2° |
| N10 | C9 | C23 | 127.0° | 126.1° |
| C9 | N10 | N11 | 109.5° | 108.1° |
| C9 | C23 | C24 | 121.4° | 120.0° |
| C9 | C23 | C28 | 118.2° | 120.1° |
| N10 | N11 | C12 | 113.8° | 126.0° |
| N11 | C12 | C13 | 102.3° | 109.4° |
| N11 | C12 | H12 | 111.9° | 109.4° |
| N11 | C12 | H12A | 111.9° | 109.5° |
| C12 | C13 | O14 | 108.7° | 109.4° |
| C12 | C13 | C15 | 111.5° | 109.4° |
| C13 | C12 | H12 | 111.9° | 109.5° |
| C13 | C12 | H12A | 111.9° | 109.5° |
| C12 | C13 | H13 | 109.7° | 109.5° |
| O14 | C13 | C15 | 112.4° | 109.5° |
| O14 | C13 | H13 | 108.8° | 109.5° |
| C13 | O14 | HO14 | 109.5° | 114.0° |
| C13 | C15 | N16 | 110.0° | 109.4° |
| C15 | C13 | H13 | 105.7° | 109.5° |
| C13 | C15 | H15 | 109.3° | 109.5° |
| C13 | C15 | H15A | 109.3° | 109.5° |
| C15 | N16 | C17 | 118.4° | 111.0° |
| C15 | N16 | C21 | 120.7° | 111.0° |
| N16 | C15 | H15 | 109.3° | 109.4° |
| N16 | C15 | H15A | 109.3° | 109.5° |
| C17 | N16 | C21 | 120.9° | 111.2° |
| N16 | C17 | C18 | 108.4° | 109.5° |
| N16 | C17 | H17 | 109.9° | 109.4° |
| N16 | C17 | H17A | 109.9° | 109.5° |
| N16 | C21 | C20 | 108.7° | 109.5° |
| N16 | C21 | H21 | 109.7° | 109.5° |
| N16 | C21 | H21A | 109.7° | 109.4° |
| C17 | C18 | C19 | 114.9° | 109.3° |
| C18 | C17 | H17 | 109.8° | 109.5° |
| C18 | C17 | H17A | 109.8° | 109.5° |
| C17 | C18 | H18 | 107.7° | 109.5° |
| C17 | C18 | H18A | 107.7° | 109.5° |
| C18 | C19 | C20 | 110.0° | 109.2° |
| C18 | C19 | C22 | 113.1° | 109.5° |
| C19 | C18 | H18 | 107.7° | 109.5° |
| C19 | C18 | H18A | 107.7° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C20 | C19 | C22 | 114.5° | 109.5° |
| C19 | C20 | C21 | 110.8° | 109.3° |
| C20 | C19 | H19 | 106.9° | 109.5° |
| C19 | C20 | H20 | 109.0° | 109.5° |
| C19 | C20 | H20A | 109.0° | 109.5° |
| C19 | C22 | O42 | 107.6° | 109.5° |
| C19 | C22 | C44 | 114.8° | 109.4° |
| C19 | C22 | C45 | 111.1° | 109.4° |
| C22 | C19 | H19 | 103.3° | 109.6° |
| C21 | C20 | H20 | 109.1° | 109.4° |
| C21 | C20 | H20A | 109.1° | 109.5° |
| C20 | C21 | H21 | 109.7° | 109.5° |
| C20 | C21 | H21A | 109.7° | 109.5° |
| O42 | C22 | C44 | 106.4° | 109.5° |
| O42 | C22 | C45 | 106.0° | 109.5° |
| C22 | O42 | HO42 | 109.5° | 114.0° |
| C44 | C22 | C45 | 110.4° | 109.5° |
| C22 | C44 | H44 | 109.5° | 109.5° |
| C22 | C44 | H44A | 109.5° | 109.4° |
| C22 | C44 | H44B | 109.5° | 109.5° |
| C22 | C45 | H45 | 109.5° | 109.5° |
| C22 | C45 | H45A | 109.5° | 109.4° |
| C22 | C45 | H45B | 109.4° | 109.5° |
| C24 | C23 | C28 | 120.4° | 119.8° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | H24 | 119.7° | 120.0° |
| C23 | C28 | C27 | 121.3° | 119.8° |
| C23 | C28 | H28 | 119.3° | 120.1° |
| C24 | C25 | C26 | 121.2° | 120.2° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | H25 | 119.4° | 119.9° |
| C25 | C26 | C27 | 117.9° | 120.1° |
| C25 | C26 | C38 | 121.6° | 119.9° |
| C26 | C25 | H25 | 119.4° | 119.9° |
| C27 | C26 | C38 | 120.5° | 119.9° |
| C26 | C27 | C28 | 118.5° | 120.0° |
| C26 | C27 | S29 | 123.5° | 120.0° |
| C26 | C38 | F39 | 106.4° | 109.4° |
| C26 | C38 | F40 | 112.3° | 109.4° |
| C26 | C38 | F41 | 111.8° | 109.5° |
| C28 | C27 | S29 | 117.9° | 120.1° |
| C27 | C28 | H28 | 119.4° | 120.1° |
| C27 | S29 | C30 | 101.7° | 103.0° |
| S29 | C30 | C31 | 117.0° | 109.5° |
| S29 | C30 | H30 | 107.1° | 109.5° |
| S29 | C30 | H30A | 107.0° | 109.5° |
| C30 | C31 | O32 | 121.9° | 120.0° |
| C30 | C31 | N33 | 115.4° | 120.0° |
| C31 | C30 | H30 | 107.0° | 109.5° |
| C31 | C30 | H30A | 107.0° | 109.5° |
| O32 | C31 | N33 | 122.7° | 120.0° |
| C31 | N33 | C34 | 123.6° | 125.8° |
| C31 | N33 | C37 | 122.9° | 125.7° |
| C34 | N33 | C37 | 113.5° | 108.5° |
| N33 | C34 | C35 | 105.7° | 108.1° |
| N33 | C34 | H34 | 127.1° | 125.9° |
| N33 | C37 | C36 | 104.4° | 108.2° |
| N33 | C37 | H37 | 127.8° | 125.9° |
| C34 | C35 | C36 | 107.2° | 107.6° |
| C35 | C34 | H34 | 127.2° | 125.9° |
| C34 | C35 | H35 | 126.4° | 126.2° |
| C35 | C36 | C37 | 108.2° | 107.5° |
| C36 | C35 | H35 | 126.4° | 126.2° |
| C35 | C36 | H36 | 125.9° | 126.3° |
| C37 | C36 | H36 | 125.9° | 126.2° |
| C36 | C37 | H37 | 127.8° | 125.9° |
| F39 | C38 | F40 | 108.7° | 109.5° |
| F39 | C38 | F41 | 111.8° | 109.4° |
| F40 | C38 | F41 | 105.9° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.6° |
| H5 | C5 | H5A | 109.0° | 109.7° |
| H8 | C8 | H8A | 108.2° | 109.9° |
| H12 | C12 | H12A | 106.9° | 109.5° |
| H15 | C15 | H15A | 109.6° | 109.5° |
| H17 | C17 | H17A | 109.1° | 109.4° |
| H18 | C18 | H18A | 111.2° | 109.6° |
| H20 | C20 | H20A | 109.9° | 109.5° |
| H21 | C21 | H21A | 109.2° | 109.4° |
| H30 | C30 | H30A | 111.8° | 109.4° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H44 | C44 | H44A | 109.4° | 109.4° |
| H44 | C44 | H44B | 109.4° | 109.4° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.4° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N3 | C43 | 178.5° | 179.7° |
| O2 | C1 | N3 | C4 | 172.8° | 5.0° |
| O2 | C1 | N3 | C8 | 9.3° | 174.7° |
| O2 | C1 | C43 | H43 | 0.0° | 95.1° |
| O2 | C1 | C43 | H43A | 120.0° | 144.9° |
| O2 | C1 | C43 | H43B | 120.0° | 24.9° |
| C1 | N3 | C4 | C8 | 178.1° | 179.8° |
| C1 | N3 | C4 | C5 | 102.6° | 115.5° |
| C1 | N3 | C8 | C7 | 121.8° | 135.8° |
| C1 | N3 | C4 | H4 | 17.4° | 124.6° |
| C1 | N3 | C4 | H4A | 137.4° | 4.4° |
| C1 | N3 | C8 | H8 | 118.2° | 16.3° |
| C1 | N3 | C8 | H8A | 1.8° | 104.8° |
| N3 | C1 | C43 | H43 | 178.6° | 85.2° |
| N3 | C1 | C43 | H43A | 61.4° | 34.8° |
| N3 | C1 | C43 | H43B | 58.6° | 154.8° |
| C43 | C1 | N3 | C4 | 8.7° | 175.3° |
| C43 | C1 | N3 | C8 | 169.3° | 5.0° |
| C1 | C43 | H43 | H43A | 120.0° | 120.0° |
| C1 | C43 | H43 | H43B | 120.0° | 120.0° |
| C1 | C43 | H43A | H43B | 120.0° | 120.0° |
| N3 | C4 | C5 | H4 | 120.0° | 119.9° |
| N3 | C4 | C5 | H4A | 120.0° | 119.9° |
| N3 | C4 | C5 | C6 | 46.9° | 45.4° |
| C4 | N3 | C8 | C7 | 56.4° | 43.9° |
| N3 | C4 | H4 | H4A | 120.1° | 120.2° |
| N3 | C4 | C5 | H5 | 73.1° | 165.2° |
| N3 | C4 | C5 | H5A | 166.9° | 74.4° |
| C4 | N3 | C8 | H8 | 63.6° | 163.5° |
| C4 | N3 | C8 | H8A | 176.4° | 75.4° |
| C8 | N3 | C4 | C5 | 75.5° | 64.3° |
| N3 | C8 | C7 | C6 | 18.8° | 10.9° |
| N3 | C8 | C7 | H8 | 120.0° | 119.6° |
| N3 | C8 | C7 | H8A | 120.0° | 119.5° |
| N3 | C8 | C7 | C9 | 160.0° | 169.0° |
| C8 | N3 | C4 | H4 | 164.5° | 55.6° |
| C8 | N3 | C4 | H4A | 44.5° | 175.9° |
| N3 | C8 | H8 | H8A | 121.5° | 121.1° |
| C4 | C5 | C6 | H5 | 120.0° | 119.8° |
| C4 | C5 | C6 | H5A | 120.0° | 119.8° |
| C4 | C5 | C6 | C7 | 13.6° | 17.9° |
| C4 | C5 | C6 | N11 | 167.6° | 162.1° |
| C5 | C4 | H4 | H4A | 120.1° | 120.2° |
| C4 | C5 | H5 | H5A | 120.7° | 120.3° |
| C5 | C6 | C7 | N11 | 179.1° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.2° |
| C5 | C6 | C7 | C9 | 179.3° | 179.7° |
| C5 | C6 | N11 | N10 | 179.5° | 179.7° |
| C5 | C6 | N11 | C12 | 5.0° | 0.3° |
| C6 | C5 | C4 | H4 | 166.9° | 74.5° |
| C6 | C5 | C4 | H4A | 73.1° | 165.3° |
| C6 | C5 | H5 | H5A | 120.6° | 120.3° |
| C6 | C7 | C8 | C9 | 178.8° | 179.9° |
| C6 | C7 | C9 | N10 | 1.2° | 0.2° |
| C6 | C7 | C9 | C23 | 179.4° | 179.9° |
| C7 | C6 | N11 | N10 | 1.5° | 0.2° |
| C7 | C6 | N11 | C12 | 176.0° | 179.7° |
| C7 | C6 | C5 | H5 | 106.4° | 137.8° |
| C7 | C6 | C5 | H5A | 133.6° | 101.9° |
| C6 | C7 | C8 | H8 | 101.1° | 130.4° |
| C6 | C7 | C8 | H8A | 138.9° | 108.6° |
| N11 | C6 | C7 | C8 | 178.9° | 179.8° |
| N11 | C6 | C7 | C9 | 0.2° | 0.3° |
| C6 | N11 | N10 | C9 | 2.4° | 0.1° |
| C6 | N11 | N10 | C12 | 175.7° | 180.0° |
| C6 | N11 | C12 | C13 | 98.6° | 90.0° |
| N11 | C6 | C5 | H5 | 72.5° | 42.3° |
| N11 | C6 | C5 | H5A | 47.6° | 78.1° |
| C6 | N11 | C12 | H12 | 141.4° | 150.0° |
| C6 | N11 | C12 | H12A | 21.4° | 30.0° |
| C8 | C7 | C9 | N10 | 179.8° | 179.9° |
| C8 | C7 | C9 | C23 | 1.6° | 0.0° |
| C7 | C8 | H8 | H8A | 121.5° | 120.9° |
| C7 | C9 | N10 | C23 | 178.2° | 179.9° |
| C7 | C9 | N10 | N11 | 2.1° | 0.1° |
| C7 | C9 | C23 | C24 | 137.5° | 35.1° |
| C7 | C9 | C23 | C28 | 44.0° | 144.7° |
| C9 | C7 | C8 | H8 | 80.0° | 49.4° |
| C9 | C7 | C8 | H8A | 39.9° | 71.5° |
| C9 | N10 | N11 | C12 | 178.1° | 179.9° |
| N10 | C9 | C23 | C24 | 44.7° | 145.0° |
| N10 | C9 | C23 | C28 | 133.9° | 35.2° |
| C23 | C9 | N10 | N11 | 179.7° | 180.0° |
| C9 | C23 | C24 | C28 | 178.6° | 179.8° |
| C9 | C23 | C24 | C25 | 179.9° | 180.0° |
| C9 | C23 | C28 | C27 | 179.3° | 179.7° |
| C9 | C23 | C24 | H24 | 0.1° | 0.1° |
| C9 | C23 | C28 | H28 | 0.7° | 0.0° |
| N10 | N11 | C12 | C13 | 75.8° | 90.0° |
| N10 | N11 | C12 | H12 | 44.2° | 29.9° |
| N10 | N11 | C12 | H12A | 164.2° | 150.0° |
| N11 | C12 | C13 | H12 | 120.0° | 119.9° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | O14 | 82.1° | 65.0° |
| N11 | C12 | C13 | C15 | 153.5° | 175.0° |
| N11 | C12 | H12 | H12A | 122.9° | 120.0° |
| N11 | C12 | C13 | H13 | 36.7° | 55.0° |
| C12 | C13 | O14 | C15 | 123.9° | 119.9° |
| C12 | C13 | O14 | H13 | 119.4° | 120.0° |
| C12 | C13 | C15 | H13 | 119.2° | 120.0° |
| C12 | C13 | C15 | N16 | 174.3° | 178.5° |
| C13 | C12 | H12 | H12A | 122.9° | 120.0° |
| C12 | C13 | O14 | HO14 | 180.0° | 60.0° |
| C12 | C13 | C15 | H15 | 65.7° | 61.6° |
| C12 | C13 | C15 | H15A | 54.3° | 58.5° |
| O14 | C13 | C15 | H13 | 118.6° | 120.0° |
| O14 | C13 | C15 | N16 | 52.0° | 58.5° |
| O14 | C13 | C12 | H12 | 157.9° | 175.0° |
| O14 | C13 | C12 | H12A | 37.9° | 55.0° |
| O14 | C13 | C15 | H15 | 172.0° | 178.4° |
| O14 | C13 | C15 | H15A | 68.0° | 61.5° |
| C13 | C15 | N16 | H15 | 120.0° | 119.9° |
| C13 | C15 | N16 | H15A | 120.0° | 120.0° |
| C13 | C15 | N16 | C17 | 99.9° | 176.2° |
| C13 | C15 | N16 | C21 | 80.7° | 51.9° |
| C15 | C13 | C12 | H12 | 33.5° | 55.1° |
| C15 | C13 | C12 | H12A | 86.5° | 65.0° |
| C15 | C13 | O14 | HO14 | 56.1° | 59.9° |
| C13 | C15 | H15 | H15A | 119.8° | 120.1° |
| C15 | N16 | C17 | C21 | 179.4° | 124.2° |
| C15 | N16 | C17 | C18 | 131.9° | 174.2° |
| C15 | N16 | C21 | C20 | 176.3° | 174.2° |
| N16 | C15 | C13 | H13 | 66.5° | 61.5° |
| N16 | C15 | H15 | H15A | 119.8° | 120.0° |
| C15 | N16 | C17 | H17 | 11.9° | 65.8° |
| C15 | N16 | C17 | H17A | 108.1° | 54.1° |
| C15 | N16 | C21 | H21 | 56.3° | 54.1° |
| C15 | N16 | C21 | H21A | 63.7° | 65.8° |
| N16 | C17 | C18 | H17 | 120.0° | 120.0° |
| N16 | C17 | C18 | H17A | 120.0° | 120.1° |
| N16 | C17 | C18 | C19 | 48.8° | 59.1° |
| C17 | N16 | C21 | C20 | 4.3° | 61.7° |
| C17 | N16 | C15 | H15 | 140.1° | 56.3° |
| C17 | N16 | C15 | H15A | 20.1° | 63.8° |
| N16 | C17 | H17 | H17A | 120.5° | 120.0° |
| N16 | C17 | C18 | H18 | 71.2° | 179.1° |
| N16 | C17 | C18 | H18A | 168.8° | 60.8° |
| C17 | N16 | C21 | H21 | 124.3° | 178.2° |
| C17 | N16 | C21 | H21A | 115.7° | 58.3° |
| C21 | N16 | C17 | C18 | 47.5° | 61.7° |
| N16 | C21 | C20 | C19 | 56.6° | 59.2° |
| N16 | C21 | C20 | H21 | 120.0° | 120.0° |
| N16 | C21 | C20 | H21A | 120.0° | 120.0° |
| C21 | N16 | C15 | H15 | 39.4° | 68.0° |
| C21 | N16 | C15 | H15A | 159.3° | 171.9° |
| C21 | N16 | C17 | H17 | 167.5° | 58.3° |
| C21 | N16 | C17 | H17A | 72.5° | 178.3° |
| N16 | C21 | C20 | H20 | 176.6° | 179.1° |
| N16 | C21 | C20 | H20A | 63.4° | 60.8° |
| N16 | C21 | H21 | H21A | 120.3° | 119.9° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 119.9° |
| C17 | C18 | C19 | C20 | 0.5° | 57.6° |
| C17 | C18 | C19 | C22 | 129.0° | 177.5° |
| C18 | C17 | H17 | H17A | 120.4° | 120.0° |
| C17 | C18 | H18 | H18A | 117.8° | 120.1° |
| C17 | C18 | C19 | H19 | 117.1° | 62.3° |
| C18 | C19 | C20 | C22 | 128.7° | 119.9° |
| C18 | C19 | C20 | H19 | 117.6° | 119.9° |
| C18 | C19 | C22 | H19 | 117.1° | 120.2° |
| C18 | C19 | C20 | C21 | 53.2° | 57.7° |
| C18 | C19 | C22 | O42 | 166.3° | 60.0° |
| C18 | C19 | C22 | C44 | 75.5° | 180.0° |
| C18 | C19 | C22 | C45 | 50.7° | 60.0° |
| C19 | C18 | C17 | H17 | 168.8° | 60.9° |
| C19 | C18 | C17 | H17A | 71.3° | 179.2° |
| C19 | C18 | H18 | H18A | 117.8° | 120.1° |
| C18 | C19 | C20 | H20 | 173.2° | 177.6° |
| C18 | C19 | C20 | H20A | 66.9° | 62.3° |
| C20 | C19 | C22 | H19 | 115.8° | 120.2° |
| C19 | C20 | C21 | H20 | 120.0° | 119.9° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C20 | C19 | C22 | O42 | 66.6° | 59.7° |
| C20 | C19 | C22 | C44 | 51.6° | 60.3° |
| C20 | C19 | C22 | C45 | 177.8° | 179.7° |
| C20 | C19 | C18 | H18 | 119.5° | 177.6° |
| C20 | C19 | C18 | H18A | 120.5° | 62.3° |
| C19 | C20 | H20 | H20A | 119.4° | 120.1° |
| C19 | C20 | C21 | H21 | 176.7° | 179.2° |
| C19 | C20 | C21 | H21A | 63.3° | 60.8° |
| C22 | C19 | C20 | C21 | 178.2° | 177.6° |
| C19 | C22 | O42 | C44 | 123.5° | 120.0° |
| C19 | C22 | O42 | C45 | 119.0° | 120.0° |
| C19 | C22 | C44 | C45 | 126.5° | 120.0° |
| C22 | C19 | C18 | H18 | 111.0° | 62.5° |
| C22 | C19 | C18 | H18A | 9.0° | 57.6° |
| C22 | C19 | C20 | H20 | 58.2° | 62.5° |
| C22 | C19 | C20 | H20A | 61.8° | 57.6° |
| C19 | C22 | O42 | HO42 | 180.0° | 60.0° |
| C19 | C22 | C44 | H44 | 180.0° | 60.0° |
| C19 | C22 | C44 | H44A | 60.0° | 179.9° |
| C19 | C22 | C44 | H44B | 60.0° | 60.0° |
| C19 | C22 | C45 | H45 | 180.0° | 60.0° |
| C19 | C22 | C45 | H45A | 60.0° | 180.0° |
| C19 | C22 | C45 | H45B | 60.0° | 60.0° |
| C21 | C20 | C19 | H19 | 64.4° | 62.2° |
| C21 | C20 | H20 | H20A | 119.5° | 120.1° |
| C20 | C21 | H21 | H21A | 120.3° | 120.0° |
| O42 | C22 | C44 | C45 | 114.5° | 120.0° |
| O42 | C22 | C19 | H19 | 49.2° | 179.9° |
| O42 | C22 | C44 | H44 | 61.1° | 180.0° |
| O42 | C22 | C44 | H44A | 179.0° | 60.1° |
| O42 | C22 | C44 | H44B | 58.9° | 60.0° |
| O42 | C22 | C45 | H45 | 63.3° | 59.9° |
| O42 | C22 | C45 | H45A | 56.6° | 60.0° |
| O42 | C22 | C45 | H45B | 176.6° | 180.0° |
| C44 | C22 | C19 | H19 | 167.5° | 59.9° |
| C44 | C22 | O42 | HO42 | 56.4° | 60.0° |
| C22 | C44 | H44 | H44A | 120.0° | 119.9° |
| C22 | C44 | H44 | H44B | 120.0° | 120.1° |
| C22 | C44 | H44A | H44B | 120.0° | 120.1° |
| C44 | C22 | C45 | H45 | 51.5° | 180.0° |
| C44 | C22 | C45 | H45A | 171.4° | 60.0° |
| C44 | C22 | C45 | H45B | 68.5° | 60.0° |
| C45 | C22 | C19 | H19 | 66.4° | 60.2° |
| C45 | C22 | O42 | HO42 | 61.0° | 180.0° |
| C45 | C22 | C44 | H44 | 53.5° | 59.9° |
| C45 | C22 | C44 | H44A | 66.5° | 60.0° |
| C45 | C22 | C44 | H44B | 173.5° | 180.0° |
| C22 | C45 | H45 | H45A | 120.0° | 120.0° |
| C22 | C45 | H45 | H45B | 120.0° | 120.0° |
| C22 | C45 | H45A | H45B | 120.0° | 120.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 1.0° | 0.0° |
| C24 | C23 | C28 | C27 | 2.1° | 0.5° |
| C23 | C24 | C25 | H25 | 179.1° | 180.0° |
| C24 | C23 | C28 | H28 | 177.9° | 179.8° |
| C28 | C23 | C24 | C25 | 1.3° | 0.2° |
| C23 | C28 | C27 | C26 | 2.4° | 0.5° |
| C23 | C28 | C27 | H28 | 180.0° | 179.8° |
| C23 | C28 | C27 | S29 | 179.8° | 179.8° |
| C28 | C23 | C24 | H24 | 178.7° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.3° | 0.0° |
| C24 | C25 | C26 | C38 | 179.5° | 180.0° |
| C25 | C26 | C27 | C38 | 178.3° | 179.9° |
| C25 | C26 | C27 | C28 | 2.0° | 0.3° |
| C25 | C26 | C27 | S29 | 179.2° | 180.0° |
| C25 | C26 | C38 | F39 | 124.7° | 0.0° |
| C25 | C26 | C38 | F40 | 6.0° | 120.0° |
| C25 | C26 | C38 | F41 | 112.9° | 120.0° |
| C26 | C25 | C24 | H24 | 179.0° | 179.9° |
| C26 | C27 | C28 | S29 | 177.4° | 179.7° |
| C26 | C27 | S29 | C30 | 115.8° | 180.0° |
| C27 | C26 | C38 | F39 | 53.5° | 179.9° |
| C27 | C26 | C38 | F40 | 172.2° | 60.0° |
| C27 | C26 | C38 | F41 | 68.9° | 60.0° |
| C27 | C26 | C25 | H25 | 178.8° | 179.9° |
| C26 | C27 | C28 | H28 | 177.6° | 179.7° |
| C38 | C26 | C27 | C28 | 179.8° | 179.8° |
| C38 | C26 | C27 | S29 | 2.5° | 0.1° |
| C26 | C38 | F39 | F40 | 121.1° | 120.0° |
| C26 | C38 | F39 | F41 | 122.3° | 120.0° |
| C26 | C38 | F40 | F41 | 122.2° | 120.0° |
| C38 | C26 | C25 | H25 | 0.5° | 0.0° |
| C28 | C27 | S29 | C30 | 61.5° | 0.2° |
| C27 | S29 | C30 | C31 | 171.7° | 180.0° |
| S29 | C27 | C28 | H28 | 0.2° | 0.0° |
| C27 | S29 | C30 | H30 | 68.3° | 60.0° |
| C27 | S29 | C30 | H30A | 51.7° | 60.0° |
| S29 | C30 | C31 | H30 | 120.0° | 120.0° |
| S29 | C30 | C31 | H30A | 120.0° | 120.1° |
| S29 | C30 | C31 | O32 | 7.9° | 0.0° |
| S29 | C30 | C31 | N33 | 172.7° | 180.0° |
| S29 | C30 | H30 | H30A | 116.9° | 120.0° |
| C30 | C31 | O32 | N33 | 179.4° | 180.0° |
| C30 | C31 | N33 | C34 | 14.8° | 180.0° |
| C30 | C31 | N33 | C37 | 165.7° | 0.3° |
| C31 | C30 | H30 | H30A | 116.9° | 120.0° |
| O32 | C31 | N33 | C34 | 165.8° | 0.0° |
| O32 | C31 | N33 | C37 | 13.7° | 179.7° |
| O32 | C31 | C30 | H30 | 112.1° | 120.0° |
| O32 | C31 | C30 | H30A | 127.9° | 120.0° |
| C31 | N33 | C34 | C37 | 179.6° | 179.8° |
| C31 | N33 | C34 | C35 | 172.1° | 180.0° |
| C31 | N33 | C37 | C36 | 169.7° | 179.9° |
| N33 | C31 | C30 | H30 | 67.3° | 59.9° |
| N33 | C31 | C30 | H30A | 52.7° | 60.0° |
| C31 | N33 | C34 | H34 | 7.9° | 0.0° |
| C31 | N33 | C37 | H37 | 10.3° | 0.0° |
| N33 | C34 | C35 | H34 | 180.0° | 180.0° |
| N33 | C34 | C35 | C36 | 2.2° | 0.0° |
| C34 | N33 | C37 | C36 | 10.7° | 0.4° |
| N33 | C34 | C35 | H35 | 177.8° | 180.0° |
| C34 | N33 | C37 | H37 | 169.3° | 179.8° |
| C37 | N33 | C34 | C35 | 8.3° | 0.2° |
| N33 | C37 | C36 | C35 | 8.7° | 0.3° |
| N33 | C37 | C36 | H37 | 180.0° | 179.9° |
| C37 | N33 | C34 | H34 | 171.7° | 179.8° |
| N33 | C37 | C36 | H36 | 171.3° | 179.8° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 4.1° | 0.2° |
| C34 | C35 | C36 | H36 | 175.9° | 179.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C36 | C35 | C34 | H34 | 177.8° | 180.0° |
| C35 | C36 | C37 | H37 | 171.3° | 179.8° |
| C37 | C36 | C35 | H35 | 175.9° | 179.8° |
| F39 | C38 | F40 | F41 | 120.3° | 120.0° |
| H4 | C4 | C5 | H5 | 46.9° | 45.3° |
| H4 | C4 | C5 | H5A | 73.1° | 165.7° |
| H4A | C4 | C5 | H5 | 166.9° | 74.9° |
| H4A | C4 | C5 | H5A | 46.9° | 45.5° |
| H12 | C12 | C13 | H13 | 83.3° | 65.0° |
| H12A | C12 | C13 | H13 | 156.7° | 175.0° |
| H13 | C13 | O14 | HO14 | 60.6° | 180.0° |
| H13 | C13 | C15 | H15 | 53.5° | 58.4° |
| H13 | C13 | C15 | H15A | 173.5° | 178.5° |
| H17 | C17 | C18 | H18 | 48.8° | 59.1° |
| H17 | C17 | C18 | H18A | 71.2° | 179.2° |
| H17A | C17 | C18 | H18 | 168.7° | 60.8° |
| H17A | C17 | C18 | H18A | 48.8° | 59.3° |
| H18 | C18 | C19 | H19 | 2.9° | 57.7° |
| H18A | C18 | C19 | H19 | 123.0° | 177.8° |
| H19 | C19 | C20 | H20 | 55.6° | 57.7° |
| H19 | C19 | C20 | H20A | 175.5° | 177.8° |
| H20 | C20 | C21 | H21 | 63.4° | 60.9° |
| H20 | C20 | C21 | H21A | 56.6° | 59.1° |
| H20A | C20 | C21 | H21 | 56.7° | 59.2° |
| H20A | C20 | C21 | H21A | 176.7° | 179.2° |
| H24 | C24 | C25 | H25 | 0.9° | 0.1° |
| H34 | C34 | C35 | H35 | 2.2° | 0.0° |
| H35 | C35 | C36 | H36 | 4.1° | 0.1° |
| H36 | C36 | C37 | H37 | 8.8° | 0.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.1° |
| H44 | C44 | H44A | H44B | 120.0° | 119.9° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
