CU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.49Å | |
| N1 | C6 | sing | 1.47Å | 1.49Å | |
| N1 | C43 | sing | 1.47Å | 1.46Å | |
| N1 | C47 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C36 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | O37 | sing | 1.36Å | 1.40Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | O11 | sing | 1.32Å | 1.36Å | |
| O11 | C12 | sing | 1.33Å | 1.37Å | |
| C12 | C13 | doub | 1.41Å | 1.37Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | O39 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.50Å | 1.50Å | |
| C18 | C19 | sing | 1.52Å | 1.54Å | |
| C19 | N20 | sing | 1.44Å | 1.50Å | |
| C19 | C24 | sing | 1.51Å | 1.50Å | |
| N20 | C21 | sing | 1.47Å | 1.50Å | |
| N20 | C44 | sing | 1.49Å | 1.49Å | |
| N20 | C45 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C23 | C24 | doub | 1.37Å | 1.42Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | O40 | sing | 1.36Å | 1.40Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | O42 | sing | 1.36Å | 1.39Å | |
| C28 | O29 | sing | 1.33Å | 1.39Å | |
| O29 | C30 | sing | 1.33Å | 1.36Å | |
| C30 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C36 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| O37 | C38 | sing | 1.43Å | 1.46Å | |
| O39 | C48 | sing | 1.43Å | 1.43Å | |
| O40 | C41 | sing | 1.43Å | 1.45Å | |
| O42 | C46 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.10Å | 1.10Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C18 | H18A | sing | 1.12Å | 1.10Å | |
| C19 | H19 | sing | 1.11Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| 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 | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 115.8° | 109.9° |
| C2 | N1 | C43 | 104.7° | 110.1° |
| C2 | N1 | C47 | 107.9° | 109.5° |
| N1 | C2 | C3 | 118.8° | 111.9° |
| N1 | C2 | H2 | 106.4° | 109.9° |
| N1 | C2 | H2A | 106.5° | 108.6° |
| C6 | N1 | C43 | 112.1° | 109.6° |
| C6 | N1 | C47 | 108.9° | 110.2° |
| N1 | C6 | C5 | 110.9° | 109.5° |
| N1 | C6 | C36 | 110.1° | 110.6° |
| N1 | C6 | H6 | 109.2° | 108.1° |
| C43 | N1 | C47 | 107.0° | 107.5° |
| N1 | C43 | H43 | 109.5° | 109.5° |
| N1 | C43 | H43A | 109.5° | 109.4° |
| N1 | C43 | H43B | 109.5° | 109.5° |
| N1 | C47 | H47 | 109.5° | 109.5° |
| N1 | C47 | H47A | 109.5° | 109.5° |
| N1 | C47 | H47B | 109.4° | 109.5° |
| C2 | C3 | C4 | 113.3° | 113.1° |
| C3 | C2 | H2 | 106.5° | 109.9° |
| C3 | C2 | H2A | 106.5° | 109.1° |
| C2 | C3 | H3 | 108.2° | 108.6° |
| C2 | C3 | H3A | 108.2° | 109.6° |
| C3 | C4 | C5 | 123.0° | 122.1° |
| C3 | C4 | C7 | 115.7° | 118.6° |
| C4 | C3 | H3 | 108.2° | 108.7° |
| C4 | C3 | H3A | 108.2° | 108.7° |
| C5 | C4 | C7 | 121.3° | 119.3° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | C10 | 117.9° | 120.7° |
| C4 | C7 | C8 | 120.5° | 120.5° |
| C4 | C7 | H7 | 119.8° | 119.6° |
| C6 | C5 | C10 | 120.4° | 119.3° |
| C5 | C6 | C36 | 112.6° | 111.1° |
| C5 | C6 | H6 | 106.5° | 108.1° |
| C5 | C10 | C9 | 119.5° | 120.4° |
| C5 | C10 | H10 | 120.3° | 120.1° |
| C6 | C36 | C33 | 110.2° | 108.9° |
| C36 | C6 | H6 | 107.4° | 109.4° |
| C6 | C36 | H36 | 109.2° | 110.7° |
| C6 | C36 | H36A | 109.2° | 110.1° |
| C7 | C8 | C9 | 118.6° | 120.5° |
| C7 | C8 | O37 | 121.9° | 119.7° |
| C8 | C7 | H7 | 119.8° | 119.9° |
| C9 | C8 | O37 | 119.4° | 119.8° |
| C8 | C9 | C10 | 122.2° | 118.6° |
| C8 | C9 | O11 | 115.1° | 118.4° |
| C8 | O37 | C38 | 121.6° | 117.0° |
| C10 | C9 | O11 | 122.6° | 123.0° |
| C9 | C10 | H10 | 120.3° | 119.5° |
| C9 | O11 | C12 | 126.3° | 140.8° |
| O11 | C12 | C13 | 114.0° | 117.3° |
| O11 | C12 | C17 | 123.2° | 123.9° |
| C13 | C12 | C17 | 122.8° | 118.8° |
| C12 | C13 | C14 | 121.2° | 120.2° |
| C12 | C13 | O39 | 113.0° | 120.0° |
| C12 | C17 | C16 | 116.7° | 120.8° |
| C12 | C17 | H17 | 121.7° | 119.6° |
| C14 | C13 | O39 | 125.8° | 119.8° |
| C13 | C14 | C15 | 117.6° | 119.9° |
| C13 | C14 | H14 | 121.2° | 120.2° |
| C13 | O39 | C48 | 123.6° | 117.1° |
| C14 | C15 | C16 | 121.2° | 120.5° |
| C15 | C14 | H14 | 121.2° | 119.9° |
| C14 | C15 | H15 | 119.4° | 118.2° |
| C15 | C16 | C17 | 120.6° | 119.7° |
| C15 | C16 | C18 | 119.6° | 121.7° |
| C16 | C15 | H15 | 119.4° | 121.3° |
| C17 | C16 | C18 | 119.8° | 118.5° |
| C16 | C17 | H17 | 121.7° | 119.6° |
| C16 | C18 | C19 | 118.4° | 114.7° |
| C16 | C18 | H18 | 106.6° | 110.9° |
| C16 | C18 | H18A | 106.6° | 105.3° |
| C18 | C19 | N20 | 111.5° | 115.8° |
| C18 | C19 | C24 | 106.8° | 105.3° |
| C19 | C18 | H18 | 106.6° | 115.1° |
| C19 | C18 | H18A | 106.6° | 106.2° |
| C18 | C19 | H19 | 110.5° | 107.8° |
| N20 | C19 | C24 | 111.2° | 113.1° |
| C19 | N20 | C21 | 110.9° | 116.8° |
| C19 | N20 | C44 | 107.0° | 106.6° |
| C19 | N20 | C45 | 112.4° | 114.0° |
| N20 | C19 | H19 | 106.1° | 108.8° |
| C19 | C24 | C23 | 121.5° | 123.4° |
| C19 | C24 | C28 | 120.0° | 118.1° |
| C24 | C19 | H19 | 110.8° | 105.4° |
| C21 | N20 | C44 | 116.8° | 105.1° |
| C21 | N20 | C45 | 107.6° | 107.0° |
| N20 | C21 | C22 | 114.8° | 110.0° |
| N20 | C21 | H21 | 107.7° | 109.6° |
| N20 | C21 | H21A | 107.8° | 108.9° |
| C44 | N20 | C45 | 101.8° | 106.6° |
| N20 | C44 | H44 | 109.5° | 109.5° |
| N20 | C44 | H44A | 109.5° | 109.4° |
| N20 | C44 | H44B | 109.5° | 109.4° |
| N20 | C45 | H45 | 109.5° | 109.5° |
| N20 | C45 | H45A | 109.5° | 109.4° |
| N20 | C45 | H45B | 109.4° | 109.4° |
| C21 | C22 | C23 | 110.4° | 104.5° |
| C22 | C21 | H21 | 107.7° | 109.8° |
| C22 | C21 | H21A | 107.7° | 109.6° |
| C21 | C22 | H22 | 109.1° | 109.4° |
| C21 | C22 | H22A | 109.2° | 112.0° |
| C22 | C23 | C24 | 122.9° | 117.8° |
| C22 | C23 | C25 | 117.9° | 120.5° |
| C23 | C22 | H22 | 109.1° | 109.7° |
| C23 | C22 | H22A | 109.1° | 110.2° |
| C24 | C23 | C25 | 119.1° | 121.8° |
| C23 | C24 | C28 | 118.6° | 118.5° |
| C23 | C25 | C26 | 121.9° | 119.9° |
| C23 | C25 | H25 | 119.1° | 120.1° |
| C24 | C28 | C27 | 120.7° | 120.1° |
| C24 | C28 | O29 | 120.1° | 116.6° |
| C25 | C26 | C27 | 119.2° | 119.2° |
| C25 | C26 | O40 | 123.6° | 120.6° |
| C26 | C25 | H25 | 119.0° | 120.0° |
| C27 | C26 | O40 | 117.2° | 120.3° |
| C26 | C27 | C28 | 120.5° | 120.5° |
| C26 | C27 | O42 | 115.9° | 119.6° |
| C26 | O40 | C41 | 123.0° | 117.0° |
| C28 | C27 | O42 | 123.6° | 119.9° |
| C27 | C28 | O29 | 119.2° | 123.3° |
| C27 | O42 | C46 | 124.9° | 117.0° |
| C28 | O29 | C30 | 126.5° | 133.3° |
| O29 | C30 | C31 | 118.7° | 117.5° |
| O29 | C30 | C35 | 120.0° | 122.9° |
| C31 | C30 | C35 | 121.3° | 119.6° |
| C30 | C31 | C32 | 118.5° | 120.4° |
| C30 | C31 | H31 | 120.7° | 119.8° |
| C30 | C35 | C34 | 119.1° | 119.8° |
| C30 | C35 | H35 | 120.4° | 119.9° |
| C31 | C32 | C33 | 121.1° | 119.5° |
| C32 | C31 | H31 | 120.8° | 119.9° |
| C31 | C32 | H32 | 119.5° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.7° |
| C32 | C33 | C36 | 121.9° | 120.2° |
| C33 | C32 | H32 | 119.5° | 120.5° |
| C34 | C33 | C36 | 118.1° | 119.1° |
| C33 | C34 | C35 | 120.0° | 119.9° |
| C33 | C34 | H34 | 120.0° | 120.0° |
| C33 | C36 | H36 | 109.2° | 108.0° |
| C33 | C36 | H36A | 109.3° | 109.0° |
| C35 | C34 | H34 | 120.0° | 120.1° |
| C34 | C35 | H35 | 120.4° | 120.3° |
| O37 | C38 | H38 | 109.5° | 109.4° |
| O37 | C38 | H38A | 109.5° | 109.5° |
| O37 | C38 | H38B | 109.5° | 109.4° |
| O39 | C48 | H48 | 109.5° | 109.5° |
| O39 | C48 | H48A | 109.5° | 109.4° |
| O39 | C48 | H48B | 109.4° | 109.5° |
| O40 | C41 | H41 | 109.5° | 109.5° |
| O40 | C41 | H41A | 109.5° | 109.5° |
| O40 | C41 | H41B | 109.5° | 109.5° |
| O42 | C46 | H46 | 109.5° | 109.4° |
| O42 | C46 | H46A | 109.5° | 109.5° |
| O42 | C46 | H46B | 109.4° | 109.5° |
| H2 | C2 | H2A | 112.3° | 107.3° |
| H3 | C3 | H3A | 110.7° | 108.0° |
| H18 | C18 | H18A | 112.2° | 103.3° |
| H21 | C21 | H21A | 111.2° | 108.9° |
| H22 | C22 | H22A | 109.8° | 110.7° |
| H36 | C36 | H36A | 109.7° | 110.1° |
| H38 | C38 | H38A | 109.4° | 109.5° |
| H38 | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.4° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.5° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| H46 | C46 | H46B | 109.5° | 109.4° |
| H46A | C46 | H46B | 109.5° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.4° |
| H47 | C47 | H47B | 109.5° | 109.4° |
| H47A | C47 | H47B | 109.5° | 109.5° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| H48 | C48 | H48B | 109.5° | 109.5° |
| H48A | C48 | H48B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C43 | 120.0° | 121.2° |
| C2 | N1 | C6 | C47 | 121.7° | 120.7° |
| C2 | N1 | C43 | C47 | 114.3° | 119.2° |
| N1 | C2 | C3 | H2 | 120.0° | 122.4° |
| N1 | C2 | C3 | H2A | 120.0° | 120.2° |
| N1 | C2 | C3 | C4 | 10.8° | 33.8° |
| C2 | N1 | C6 | C5 | 47.3° | 60.7° |
| C2 | N1 | C6 | C36 | 78.0° | 62.1° |
| N1 | C2 | H2 | H2A | 116.2° | 117.9° |
| N1 | C2 | C3 | H3 | 130.8° | 154.5° |
| N1 | C2 | C3 | H3A | 109.2° | 87.7° |
| C2 | N1 | C6 | H6 | 164.4° | 178.2° |
| C2 | N1 | C43 | H43 | 180.0° | 60.1° |
| C2 | N1 | C43 | H43A | 60.0° | 180.0° |
| C2 | N1 | C43 | H43B | 60.0° | 60.0° |
| C2 | N1 | C47 | H47 | 180.0° | 59.9° |
| C2 | N1 | C47 | H47A | 60.0° | 179.9° |
| C2 | N1 | C47 | H47B | 60.0° | 60.0° |
| C6 | N1 | C43 | C47 | 119.4° | 119.7° |
| C6 | N1 | C2 | C3 | 40.0° | 64.3° |
| N1 | C6 | C5 | C4 | 29.0° | 29.7° |
| N1 | C6 | C5 | C36 | 123.8° | 122.5° |
| N1 | C6 | C5 | H6 | 118.7° | 117.5° |
| N1 | C6 | C5 | C10 | 151.9° | 149.8° |
| N1 | C6 | C36 | H6 | 118.8° | 119.0° |
| N1 | C6 | C36 | C33 | 165.2° | 178.5° |
| C6 | N1 | C2 | H2 | 80.0° | 58.1° |
| C6 | N1 | C2 | H2A | 160.0° | 175.2° |
| N1 | C6 | C36 | H36 | 74.8° | 62.8° |
| N1 | C6 | C36 | H36A | 45.2° | 59.1° |
| C6 | N1 | C43 | H43 | 53.7° | 178.9° |
| C6 | N1 | C43 | H43A | 66.3° | 59.0° |
| C6 | N1 | C43 | H43B | 173.7° | 61.0° |
| C6 | N1 | C47 | H47 | 53.6° | 61.0° |
| C6 | N1 | C47 | H47A | 173.6° | 59.0° |
| C6 | N1 | C47 | H47B | 66.4° | 179.0° |
| C43 | N1 | C2 | C3 | 84.0° | 56.5° |
| C43 | N1 | C6 | C5 | 72.8° | 60.5° |
| C43 | N1 | C6 | C36 | 162.0° | 176.8° |
| C43 | N1 | C2 | H2 | 156.0° | 178.9° |
| C43 | N1 | C2 | H2A | 36.0° | 64.0° |
| C43 | N1 | C6 | H6 | 44.3° | 57.0° |
| N1 | C43 | H43 | H43A | 120.0° | 119.9° |
| N1 | C43 | H43 | H43B | 120.0° | 120.1° |
| N1 | C43 | H43A | H43B | 120.0° | 120.0° |
| C43 | N1 | C47 | H47 | 67.8° | 179.6° |
| C43 | N1 | C47 | H47A | 52.2° | 60.4° |
| C43 | N1 | C47 | H47B | 172.2° | 59.7° |
| C47 | N1 | C2 | C3 | 162.3° | 174.5° |
| C47 | N1 | C6 | C5 | 169.0° | 178.6° |
| C47 | N1 | C6 | C36 | 43.7° | 58.6° |
| C47 | N1 | C2 | H2 | 42.3° | 63.1° |
| C47 | N1 | C2 | H2A | 77.7° | 54.1° |
| C47 | N1 | C6 | H6 | 73.9° | 61.1° |
| C47 | N1 | C43 | H43 | 65.7° | 59.2° |
| C47 | N1 | C43 | H43A | 174.3° | 60.8° |
| C47 | N1 | C43 | H43B | 54.3° | 179.2° |
| N1 | C47 | H47 | H47A | 120.0° | 120.0° |
| N1 | C47 | H47 | H47B | 120.0° | 120.0° |
| N1 | C47 | H47A | H47B | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.7° |
| C2 | C3 | C4 | H3A | 120.0° | 122.0° |
| C2 | C3 | C4 | C5 | 8.5° | 3.1° |
| C2 | C3 | C4 | C7 | 170.4° | 176.9° |
| C3 | C2 | H2 | H2A | 116.2° | 118.5° |
| C2 | C3 | H3 | H3A | 118.4° | 118.8° |
| C3 | C4 | C5 | C7 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 1.4° |
| C3 | C4 | C5 | C10 | 179.6° | 178.1° |
| C3 | C4 | C7 | C8 | 179.8° | 178.8° |
| C4 | C3 | C2 | H2 | 109.2° | 88.6° |
| C4 | C3 | C2 | H2A | 130.8° | 154.0° |
| C4 | C3 | H3 | H3A | 118.5° | 117.8° |
| C3 | C4 | C7 | H7 | 0.2° | 0.8° |
| C4 | C5 | C6 | C10 | 179.1° | 179.5° |
| C4 | C5 | C6 | C36 | 94.8° | 92.8° |
| C5 | C4 | C7 | C8 | 1.3° | 1.2° |
| C4 | C5 | C10 | C9 | 0.6° | 1.0° |
| C5 | C4 | C3 | H3 | 111.5° | 123.8° |
| C5 | C4 | C3 | H3A | 128.5° | 118.9° |
| C4 | C5 | C6 | H6 | 147.7° | 147.2° |
| C5 | C4 | C7 | H7 | 178.8° | 179.2° |
| C4 | C5 | C10 | H10 | 179.4° | 178.6° |
| C7 | C4 | C5 | C6 | 179.9° | 178.6° |
| C7 | C4 | C5 | C10 | 0.7° | 1.9° |
| C4 | C7 | C8 | H7 | 180.0° | 179.6° |
| C4 | C7 | C8 | C9 | 0.5° | 0.5° |
| C4 | C7 | C8 | O37 | 179.3° | 179.7° |
| C7 | C4 | C3 | H3 | 69.6° | 56.2° |
| C7 | C4 | C3 | H3A | 50.4° | 61.1° |
| C5 | C6 | C36 | H6 | 116.9° | 119.2° |
| C6 | C5 | C10 | C9 | 178.6° | 179.5° |
| C5 | C6 | C36 | C33 | 40.9° | 56.8° |
| C6 | C5 | C10 | H10 | 1.4° | 1.0° |
| C5 | C6 | C36 | H36 | 160.9° | 175.4° |
| C5 | C6 | C36 | H36A | 79.1° | 62.7° |
| C10 | C5 | C6 | C36 | 84.3° | 87.7° |
| C5 | C10 | C9 | C8 | 1.4° | 0.7° |
| C5 | C10 | C9 | H10 | 180.0° | 179.5° |
| C5 | C10 | C9 | O11 | 178.7° | 177.9° |
| C10 | C5 | C6 | H6 | 33.2° | 32.3° |
| C6 | C36 | C33 | C32 | 89.3° | 126.1° |
| C6 | C36 | C33 | C34 | 90.2° | 53.4° |
| C6 | C36 | C33 | H36 | 120.0° | 120.3° |
| C6 | C36 | C33 | H36A | 120.0° | 120.1° |
| C6 | C36 | H36 | H36A | 119.7° | 122.0° |
| C7 | C8 | C9 | O37 | 178.8° | 179.8° |
| C7 | C8 | C9 | C10 | 0.8° | 1.4° |
| C7 | C8 | C9 | O11 | 178.3° | 177.3° |
| C7 | C8 | O37 | C38 | 3.4° | 0.0° |
| C8 | C9 | C10 | O11 | 177.3° | 178.6° |
| C8 | C9 | O11 | C12 | 177.8° | 98.9° |
| C9 | C8 | O37 | C38 | 177.8° | 179.8° |
| C9 | C8 | C7 | H7 | 179.5° | 179.1° |
| C8 | C9 | C10 | H10 | 178.6° | 179.8° |
| O37 | C8 | C9 | C10 | 178.0° | 178.8° |
| O37 | C8 | C9 | O11 | 0.5° | 2.5° |
| O37 | C8 | C7 | H7 | 0.7° | 0.7° |
| C8 | O37 | C38 | H38 | 180.0° | 180.0° |
| C8 | O37 | C38 | H38A | 60.0° | 60.0° |
| C8 | O37 | C38 | H38B | 60.0° | 60.0° |
| C10 | C9 | O11 | C12 | 0.3° | 82.6° |
| C9 | O11 | C12 | C13 | 103.3° | 108.3° |
| C9 | O11 | C12 | C17 | 76.7° | 72.1° |
| O11 | C9 | C10 | H10 | 1.3° | 1.6° |
| O11 | C12 | C13 | C17 | 180.0° | 179.7° |
| O11 | C12 | C13 | C14 | 179.3° | 178.9° |
| O11 | C12 | C13 | O39 | 1.7° | 0.8° |
| O11 | C12 | C17 | C16 | 179.4° | 176.9° |
| O11 | C12 | C17 | H17 | 0.6° | 3.8° |
| C12 | C13 | C14 | O39 | 177.4° | 179.7° |
| C12 | C13 | C14 | C15 | 1.0° | 1.2° |
| C13 | C12 | C17 | C16 | 0.6° | 2.7° |
| C12 | C13 | O39 | C48 | 164.8° | 180.0° |
| C12 | C13 | C14 | H14 | 179.0° | 178.8° |
| C13 | C12 | C17 | H17 | 179.4° | 176.6° |
| C17 | C12 | C13 | C14 | 0.6° | 0.7° |
| C17 | C12 | C13 | O39 | 178.3° | 179.6° |
| C12 | C17 | C16 | C15 | 1.0° | 2.8° |
| C12 | C17 | C16 | H17 | 180.0° | 179.3° |
| C12 | C17 | C16 | C18 | 179.4° | 175.4° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.5° | 1.2° |
| C14 | C13 | O39 | C48 | 17.6° | 0.3° |
| C13 | C14 | C15 | H15 | 178.5° | 178.2° |
| O39 | C13 | C14 | C15 | 178.4° | 178.5° |
| O39 | C13 | C14 | H14 | 1.6° | 1.5° |
| C13 | O39 | C48 | H48 | 180.0° | 59.9° |
| C13 | O39 | C48 | H48A | 60.0° | 60.0° |
| C13 | O39 | C48 | H48B | 60.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.3° |
| C14 | C15 | C16 | C17 | 1.5° | 0.8° |
| C14 | C15 | C16 | C18 | 179.9° | 177.3° |
| C15 | C16 | C17 | C18 | 178.4° | 178.2° |
| C15 | C16 | C18 | C19 | 124.5° | 61.6° |
| C16 | C15 | C14 | H14 | 178.5° | 178.8° |
| C15 | C16 | C17 | H17 | 179.0° | 176.5° |
| C15 | C16 | C18 | H18 | 4.5° | 70.9° |
| C15 | C16 | C18 | H18A | 115.5° | 177.9° |
| C17 | C16 | C18 | C19 | 57.0° | 120.3° |
| C17 | C16 | C15 | H15 | 178.5° | 179.9° |
| C17 | C16 | C18 | H18 | 177.1° | 107.2° |
| C17 | C16 | C18 | H18A | 63.0° | 3.9° |
| C16 | C18 | C19 | H18 | 120.0° | 130.5° |
| C16 | C18 | C19 | H18A | 120.0° | 115.9° |
| C16 | C18 | C19 | N20 | 96.1° | 93.2° |
| C16 | C18 | C19 | C24 | 142.3° | 141.1° |
| C18 | C16 | C15 | H15 | 0.1° | 2.0° |
| C18 | C16 | C17 | H17 | 0.6° | 5.3° |
| C16 | C18 | H18 | H18A | 116.3° | 112.4° |
| C16 | C18 | C19 | H19 | 21.6° | 29.0° |
| C18 | C19 | N20 | C24 | 119.1° | 121.6° |
| C18 | C19 | N20 | H19 | 120.3° | 121.6° |
| C18 | C19 | C24 | H19 | 120.4° | 113.8° |
| C18 | C19 | N20 | C21 | 66.7° | 132.5° |
| C18 | C19 | N20 | C44 | 164.9° | 110.5° |
| C18 | C19 | N20 | C45 | 53.9° | 6.8° |
| C18 | C19 | C24 | C23 | 97.1° | 108.9° |
| C18 | C19 | C24 | C28 | 82.5° | 72.3° |
| C19 | C18 | H18 | H18A | 116.3° | 115.3° |
| N20 | C19 | C24 | H19 | 117.7° | 118.8° |
| C19 | N20 | C21 | C44 | 123.0° | 117.9° |
| C19 | N20 | C21 | C45 | 123.4° | 129.1° |
| C19 | N20 | C44 | C45 | 118.1° | 122.1° |
| C19 | N20 | C21 | C22 | 62.0° | 53.7° |
| N20 | C19 | C24 | C23 | 24.7° | 18.5° |
| N20 | C19 | C24 | C28 | 155.6° | 160.3° |
| N20 | C19 | C18 | H18 | 24.0° | 37.3° |
| N20 | C19 | C18 | H18A | 143.9° | 150.9° |
| C19 | N20 | C21 | H21 | 178.0° | 67.1° |
| C19 | N20 | C21 | H21A | 58.0° | 173.8° |
| C19 | N20 | C44 | H44 | 180.0° | 60.0° |
| C19 | N20 | C44 | H44A | 60.0° | 180.0° |
| C19 | N20 | C44 | H44B | 60.0° | 60.0° |
| C19 | N20 | C45 | H45 | 180.0° | 66.7° |
| C19 | N20 | C45 | H45A | 60.0° | 173.3° |
| C19 | N20 | C45 | H45B | 60.0° | 53.3° |
| C24 | C19 | N20 | C21 | 52.4° | 10.8° |
| C24 | C19 | N20 | C44 | 76.0° | 127.9° |
| C24 | C19 | N20 | C45 | 173.0° | 114.9° |
| C19 | C24 | C23 | C22 | 3.3° | 2.2° |
| C19 | C24 | C23 | C28 | 179.7° | 178.8° |
| C19 | C24 | C23 | C25 | 178.8° | 177.8° |
| C19 | C24 | C28 | C27 | 179.2° | 178.6° |
| C19 | C24 | C28 | O29 | 0.0° | 1.9° |
| C24 | C19 | C18 | H18 | 97.7° | 88.4° |
| C24 | C19 | C18 | H18A | 22.3° | 25.2° |
| C21 | N20 | C44 | C45 | 116.9° | 113.3° |
| N20 | C21 | C22 | H21 | 120.0° | 120.7° |
| N20 | C21 | C22 | H21A | 120.0° | 119.7° |
| N20 | C21 | C22 | C23 | 38.0° | 65.4° |
| C21 | N20 | C19 | H19 | 173.0° | 105.9° |
| N20 | C21 | H21 | H21A | 117.9° | 119.1° |
| N20 | C21 | C22 | H22 | 82.0° | 177.2° |
| N20 | C21 | C22 | H22A | 158.0° | 54.0° |
| C21 | N20 | C44 | H44 | 55.0° | 175.4° |
| C21 | N20 | C44 | H44A | 64.9° | 55.4° |
| C21 | N20 | C44 | H44B | 175.0° | 64.5° |
| C21 | N20 | C45 | H45 | 57.6° | 64.0° |
| C21 | N20 | C45 | H45A | 177.6° | 55.9° |
| C21 | N20 | C45 | H45B | 62.4° | 176.0° |
| C44 | N20 | C21 | C22 | 61.0° | 171.5° |
| C44 | N20 | C19 | H19 | 44.5° | 11.1° |
| C44 | N20 | C21 | H21 | 59.0° | 50.8° |
| C44 | N20 | C21 | H21A | 179.1° | 68.3° |
| N20 | C44 | H44 | H44A | 120.0° | 120.0° |
| N20 | C44 | H44 | H44B | 120.0° | 120.0° |
| N20 | C44 | H44A | H44B | 120.0° | 119.9° |
| C44 | N20 | C45 | H45 | 65.8° | 176.0° |
| C44 | N20 | C45 | H45A | 54.2° | 56.0° |
| C44 | N20 | C45 | H45B | 174.2° | 64.0° |
| C45 | N20 | C21 | C22 | 174.6° | 75.5° |
| C45 | N20 | C19 | H19 | 66.5° | 128.4° |
| C45 | N20 | C21 | H21 | 54.6° | 163.8° |
| C45 | N20 | C21 | H21A | 65.4° | 44.7° |
| C45 | N20 | C44 | H44 | 61.9° | 62.1° |
| C45 | N20 | C44 | H44A | 178.1° | 57.9° |
| C45 | N20 | C44 | H44B | 58.1° | 177.9° |
| N20 | C45 | H45 | H45A | 120.0° | 119.9° |
| N20 | C45 | H45 | H45B | 120.0° | 120.0° |
| N20 | C45 | H45A | H45B | 120.0° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 117.2° |
| C21 | C22 | C23 | H22A | 120.0° | 120.6° |
| C21 | C22 | C23 | C24 | 9.1° | 38.3° |
| C21 | C22 | C23 | C25 | 175.3° | 141.7° |
| C22 | C21 | H21 | H21A | 117.8° | 120.1° |
| C21 | C22 | H22 | H22A | 119.7° | 124.0° |
| C22 | C23 | C24 | C25 | 175.5° | 180.0° |
| C22 | C23 | C24 | C28 | 177.1° | 176.6° |
| C22 | C23 | C25 | C26 | 178.7° | 178.1° |
| C23 | C22 | C21 | H21 | 158.0° | 55.3° |
| C23 | C22 | C21 | H21A | 82.0° | 174.9° |
| C23 | C22 | H22 | H22A | 119.6° | 121.9° |
| C22 | C23 | C25 | H25 | 1.3° | 1.9° |
| C24 | C23 | C25 | C26 | 2.9° | 1.9° |
| C23 | C24 | C28 | C27 | 0.5° | 2.5° |
| C23 | C24 | C28 | O29 | 179.7° | 177.0° |
| C23 | C24 | C19 | H19 | 142.4° | 137.3° |
| C24 | C23 | C22 | H22 | 110.9° | 155.5° |
| C24 | C23 | C22 | H22A | 129.1° | 82.3° |
| C24 | C23 | C25 | H25 | 177.1° | 178.1° |
| C25 | C23 | C24 | C28 | 1.5° | 3.4° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 2.3° | 0.4° |
| C23 | C25 | C26 | O40 | 178.9° | 180.0° |
| C25 | C23 | C22 | H22 | 64.7° | 24.5° |
| C25 | C23 | C22 | H22A | 55.3° | 97.7° |
| C24 | C28 | C27 | C26 | 1.2° | 0.3° |
| C24 | C28 | C27 | O29 | 179.2° | 179.4° |
| C24 | C28 | C27 | O42 | 178.4° | 179.4° |
| C24 | C28 | O29 | C30 | 114.6° | 154.2° |
| C28 | C24 | C19 | H19 | 37.9° | 41.5° |
| C25 | C26 | C27 | O40 | 178.9° | 179.7° |
| C25 | C26 | C27 | C28 | 0.1° | 1.2° |
| C25 | C26 | C27 | O42 | 179.8° | 178.0° |
| C25 | C26 | O40 | C41 | 1.3° | 0.0° |
| C26 | C27 | C28 | O42 | 179.6° | 179.2° |
| C26 | C27 | C28 | O29 | 179.6° | 179.2° |
| C27 | C26 | O40 | C41 | 179.8° | 179.7° |
| C26 | C27 | O42 | C46 | 123.0° | 84.2° |
| C27 | C26 | C25 | H25 | 177.8° | 179.6° |
| O40 | C26 | C27 | C28 | 179.1° | 179.2° |
| O40 | C26 | C27 | O42 | 1.3° | 1.7° |
| O40 | C26 | C25 | H25 | 1.1° | 0.1° |
| C26 | O40 | C41 | H41 | 180.0° | 180.0° |
| C26 | O40 | C41 | H41A | 60.0° | 60.0° |
| C26 | O40 | C41 | H41B | 60.0° | 60.0° |
| C27 | C28 | O29 | C30 | 64.6° | 26.4° |
| C28 | C27 | O42 | C46 | 57.4° | 95.0° |
| O42 | C27 | C28 | O29 | 0.8° | 0.0° |
| C27 | O42 | C46 | H46 | 180.0° | 175.4° |
| C27 | O42 | C46 | H46A | 60.0° | 55.4° |
| C27 | O42 | C46 | H46B | 60.0° | 64.6° |
| C28 | O29 | C30 | C31 | 148.6° | 127.7° |
| C28 | O29 | C30 | C35 | 31.9° | 52.3° |
| O29 | C30 | C31 | C35 | 179.5° | 180.0° |
| O29 | C30 | C31 | C32 | 179.2° | 179.8° |
| O29 | C30 | C35 | C34 | 177.3° | 179.8° |
| O29 | C30 | C31 | H31 | 0.8° | 0.0° |
| O29 | C30 | C35 | H35 | 2.7° | 0.4° |
| C30 | C31 | C32 | H31 | 180.0° | 179.8° |
| C30 | C31 | C32 | C33 | 1.0° | 0.0° |
| C31 | C30 | C35 | C34 | 2.2° | 0.2° |
| C30 | C31 | C32 | H32 | 179.0° | 180.0° |
| C31 | C30 | C35 | H35 | 177.8° | 179.7° |
| C35 | C30 | C31 | C32 | 0.2° | 0.2° |
| C30 | C35 | C34 | C33 | 2.9° | 0.8° |
| C30 | C35 | C34 | H35 | 180.0° | 179.9° |
| C35 | C30 | C31 | H31 | 179.8° | 180.0° |
| C30 | C35 | C34 | H34 | 177.1° | 179.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.6° |
| C31 | C32 | C33 | C36 | 179.2° | 178.8° |
| C32 | C33 | C34 | C36 | 179.5° | 179.4° |
| C32 | C33 | C34 | C35 | 1.7° | 1.0° |
| C33 | C32 | C31 | H31 | 179.0° | 179.8° |
| C32 | C33 | C34 | H34 | 178.3° | 178.8° |
| C32 | C33 | C36 | H36 | 150.7° | 113.7° |
| C32 | C33 | C36 | H36A | 30.7° | 5.9° |
| C33 | C34 | C35 | H34 | 180.0° | 179.8° |
| C34 | C33 | C32 | H32 | 179.7° | 179.4° |
| C33 | C34 | C35 | H35 | 177.1° | 179.1° |
| C34 | C33 | C36 | H36 | 29.8° | 66.9° |
| C34 | C33 | C36 | H36A | 149.8° | 173.5° |
| C36 | C33 | C34 | C35 | 178.8° | 178.5° |
| C33 | C36 | C6 | H6 | 76.0° | 62.4° |
| C36 | C33 | C32 | H32 | 0.8° | 1.1° |
| C36 | C33 | C34 | H34 | 1.2° | 1.8° |
| C33 | C36 | H36 | H36A | 119.8° | 118.9° |
| O37 | C38 | H38 | H38A | 120.0° | 120.0° |
| O37 | C38 | H38 | H38B | 120.0° | 120.0° |
| O37 | C38 | H38A | H38B | 120.0° | 120.0° |
| O39 | C48 | H48 | H48A | 120.0° | 119.9° |
| O39 | C48 | H48 | H48B | 120.0° | 120.0° |
| O39 | C48 | H48A | H48B | 120.0° | 120.0° |
| O40 | C41 | H41 | H41A | 120.0° | 120.1° |
| O40 | C41 | H41 | H41B | 120.0° | 120.0° |
| O40 | C41 | H41A | H41B | 120.0° | 120.0° |
| O42 | C46 | H46 | H46A | 120.0° | 120.0° |
| O42 | C46 | H46 | H46B | 120.0° | 120.0° |
| O42 | C46 | H46A | H46B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 10.8° | 32.1° |
| H2 | C2 | C3 | H3A | 130.8° | 149.9° |
| H2A | C2 | C3 | H3 | 109.2° | 85.3° |
| H2A | C2 | C3 | H3A | 10.8° | 32.5° |
| H6 | C6 | C36 | H36 | 44.0° | 56.2° |
| H6 | C6 | C36 | H36A | 164.0° | 178.1° |
| H14 | C14 | C15 | H15 | 1.5° | 1.9° |
| H18 | C18 | C19 | H19 | 141.7° | 159.4° |
| H18A | C18 | C19 | H19 | 98.4° | 86.9° |
| H21 | C21 | C22 | H22 | 38.0° | 62.2° |
| H21 | C21 | C22 | H22A | 82.0° | 174.7° |
| H21A | C21 | C22 | H22 | 158.0° | 57.5° |
| H21A | C21 | C22 | H22A | 38.0° | 65.7° |
| H31 | C31 | C32 | H32 | 1.0° | 0.2° |
| H34 | C34 | C35 | H35 | 2.9° | 1.2° |
| H38 | C38 | H38A | H38B | 120.0° | 120.1° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
| H44 | C44 | H44A | H44B | 120.0° | 120.1° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
| H46 | C46 | H46A | H46B | 120.0° | 120.0° |
| H47 | C47 | H47A | H47B | 120.0° | 120.0° |
| H48 | C48 | H48A | H48B | 120.0° | 120.0° |
