LKJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | C11 | sing | 1.48Å | 1.49Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | N2 | sing | 1.36Å | 1.45Å | Aromatic |
| C10 | N2 | sing | 1.36Å | 1.47Å | Aromatic |
| N2 | C6 | sing | 1.46Å | 1.45Å | |
| C17 | O2 | doub | 1.22Å | 1.22Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C17 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C18 | sing | 1.47Å | 1.48Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O3 | C32 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | sing | 1.55Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C31 | N4 | doub | 1.32Å | 1.37Å | Aromatic |
| N4 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C53 | O4 | sing | 1.34Å | 1.25Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C33 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C36 | sing | 1.47Å | 1.46Å | |
| N5 | C32 | sing | 1.35Å | 1.36Å | |
| O5 | C53 | doub | 1.21Å | 1.25Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C38 | N6 | sing | 1.48Å | 1.46Å | |
| C37 | N6 | sing | 1.47Å | 1.44Å | |
| N6 | C41 | sing | 1.47Å | 1.43Å | |
| C45 | O6 | doub | 1.22Å | 1.23Å | |
| C8 | C7 | doub | 1.35Å | 1.52Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N7 | C45 | sing | 1.35Å | 1.30Å | |
| N7 | C46 | sing | 1.47Å | 1.46Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.41Å | 1.53Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | N8 | doub | 1.32Å | 1.35Å | Aromatic |
| N8 | C44 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.52Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.48Å | 1.37Å | Aromatic |
| C13 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.48Å | 1.50Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.48Å | 1.39Å | Aromatic |
| C23 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | C31 | sing | 1.48Å | 1.48Å | |
| C31 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| C37 | C33 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.54Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.55Å | 1.50Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.55Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.55Å | 1.52Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.55Å | 1.53Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.54Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.48Å | 1.46Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C46 | C53 | sing | 1.51Å | 1.51Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C52 | C47 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.50Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | C48 | sing | 1.53Å | 1.54Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C51 | C50 | sing | 1.53Å | 1.54Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 124.3° | 120.0° |
| O1 | C1 | C11 | 120.3° | 120.1° |
| N1 | C1 | C11 | 114.9° | 120.0° |
| C1 | N1 | C2 | 127.5° | 125.7° |
| C1 | N1 | C5 | 128.3° | 125.6° |
| C1 | C11 | N8 | 117.9° | 119.6° |
| C1 | C11 | C12 | 122.3° | 119.5° |
| C2 | N1 | C5 | 104.0° | 108.7° |
| N1 | C2 | C6 | 110.3° | 109.9° |
| N1 | C2 | C3 | 102.8° | 107.3° |
| N1 | C2 | H2 | 116.5° | 109.9° |
| N1 | C5 | C4 | 103.7° | 104.7° |
| N1 | C5 | H5 | 111.5° | 110.4° |
| N1 | C5 | H5A | 111.4° | 110.3° |
| C6 | C2 | C3 | 117.7° | 109.9° |
| C6 | C2 | H2 | 101.2° | 109.9° |
| C2 | C6 | N2 | 107.4° | 109.5° |
| C2 | C6 | H6 | 110.1° | 109.5° |
| C2 | C6 | H6A | 110.2° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.9° |
| C2 | C3 | C4 | 104.8° | 103.0° |
| C2 | C3 | H3 | 111.1° | 110.7° |
| C2 | C3 | H3A | 111.1° | 110.7° |
| C7 | N2 | C10 | 118.9° | 108.7° |
| C7 | N2 | C6 | 122.1° | 125.7° |
| N2 | C7 | C8 | 101.6° | 108.2° |
| N2 | C7 | H7 | 129.2° | 125.8° |
| C10 | N2 | C6 | 118.9° | 125.7° |
| N2 | C10 | C9 | 101.4° | 108.2° |
| N2 | C10 | H10 | 129.3° | 125.9° |
| N2 | C6 | H6 | 110.2° | 109.5° |
| N2 | C6 | H6A | 110.2° | 109.5° |
| O2 | C17 | N3 | 119.4° | 120.0° |
| O2 | C17 | C16 | 119.5° | 120.0° |
| C4 | C3 | H3 | 111.1° | 110.7° |
| C4 | C3 | H3A | 111.1° | 110.8° |
| C3 | C4 | C5 | 105.3° | 101.5° |
| C3 | C4 | H4 | 110.9° | 111.0° |
| C3 | C4 | H4A | 110.9° | 111.0° |
| H3 | C3 | H3A | 107.8° | 110.8° |
| C17 | N3 | C18 | 126.7° | 120.0° |
| C17 | N3 | HN3 | 116.7° | 120.0° |
| N3 | C17 | C16 | 118.7° | 120.0° |
| C18 | N3 | HN3 | 116.6° | 120.0° |
| N3 | C18 | C19 | 111.8° | 109.5° |
| N3 | C18 | H18 | 108.7° | 109.4° |
| N3 | C18 | H18A | 108.7° | 109.5° |
| O3 | C32 | N5 | 124.6° | 120.0° |
| O3 | C32 | C31 | 119.3° | 120.0° |
| C5 | C4 | H4 | 110.9° | 111.2° |
| C5 | C4 | H4A | 110.9° | 110.9° |
| C4 | C5 | H5 | 111.4° | 110.5° |
| C4 | C5 | H5A | 111.5° | 110.3° |
| H4 | C4 | H4A | 108.0° | 110.9° |
| C31 | N4 | C16 | 120.2° | 121.9° |
| N4 | C31 | C32 | 120.6° | 119.6° |
| N4 | C31 | C42 | 122.5° | 120.8° |
| N4 | C16 | C15 | 119.0° | 120.8° |
| N4 | C16 | C17 | 123.0° | 119.6° |
| C53 | O4 | HO4 | 109.5° | 117.0° |
| O4 | C53 | O5 | 123.6° | 120.0° |
| O4 | C53 | C46 | 126.0° | 120.0° |
| H5 | C5 | H5A | 107.4° | 110.4° |
| C33 | N5 | C36 | 108.8° | 108.7° |
| C33 | N5 | C32 | 126.1° | 125.7° |
| N5 | C33 | C37 | 110.8° | 109.9° |
| N5 | C33 | C34 | 106.5° | 107.3° |
| N5 | C33 | H33 | 110.4° | 109.9° |
| C36 | N5 | C32 | 124.5° | 125.6° |
| N5 | C36 | C35 | 104.3° | 104.8° |
| N5 | C36 | H36 | 111.2° | 110.4° |
| N5 | C36 | H36A | 111.3° | 110.4° |
| N5 | C32 | C31 | 115.1° | 120.0° |
| O5 | C53 | C46 | 110.2° | 120.0° |
| H6 | C6 | H6A | 108.8° | 109.4° |
| C38 | N6 | C37 | 120.4° | 111.0° |
| C38 | N6 | C41 | 117.9° | 108.6° |
| N6 | C38 | C39 | 101.8° | 104.8° |
| N6 | C38 | H38 | 112.1° | 110.4° |
| N6 | C38 | H38A | 112.1° | 110.4° |
| C37 | N6 | C41 | 121.7° | 111.0° |
| N6 | C37 | C33 | 106.1° | 109.5° |
| N6 | C37 | H37 | 110.6° | 109.5° |
| N6 | C37 | H37A | 110.6° | 109.5° |
| N6 | C41 | C40 | 98.5° | 107.2° |
| N6 | C41 | H41 | 113.3° | 109.9° |
| N6 | C41 | H41A | 113.3° | 109.9° |
| O6 | C45 | N7 | 123.7° | 120.0° |
| O6 | C45 | C44 | 122.3° | 120.0° |
| C8 | C7 | H7 | 129.2° | 125.9° |
| C7 | C8 | C9 | 108.4° | 107.4° |
| C7 | C8 | H8 | 125.9° | 126.3° |
| C45 | N7 | C46 | 140.3° | 120.0° |
| C45 | N7 | HN7 | 109.9° | 120.0° |
| N7 | C45 | C44 | 109.8° | 120.0° |
| C46 | N7 | HN7 | 109.9° | 120.0° |
| N7 | C46 | C47 | 110.6° | 109.5° |
| N7 | C46 | C53 | 124.5° | 109.5° |
| N7 | C46 | H46 | 104.6° | 109.5° |
| C9 | C8 | H8 | 125.8° | 126.3° |
| C8 | C9 | C10 | 108.7° | 107.4° |
| C8 | C9 | H9 | 125.7° | 126.3° |
| C11 | N8 | C44 | 121.8° | 121.9° |
| N8 | C11 | C12 | 119.8° | 120.8° |
| N8 | C44 | C43 | 121.3° | 120.8° |
| N8 | C44 | C45 | 113.4° | 119.6° |
| C10 | C9 | H9 | 125.6° | 126.2° |
| C9 | C10 | H10 | 129.3° | 125.9° |
| C11 | C12 | C13 | 119.2° | 119.1° |
| C11 | C12 | H12 | 120.4° | 120.5° |
| C13 | C12 | H12 | 120.4° | 120.4° |
| C12 | C13 | C14 | 117.3° | 120.9° |
| C12 | C13 | C43 | 120.6° | 118.4° |
| C14 | C13 | C43 | 122.0° | 120.8° |
| C13 | C14 | C42 | 117.6° | 120.9° |
| C13 | C14 | C15 | 123.0° | 120.8° |
| C13 | C43 | C44 | 117.0° | 119.0° |
| C13 | C43 | H43 | 121.5° | 120.5° |
| C42 | C14 | C15 | 119.4° | 118.3° |
| C14 | C42 | C31 | 117.8° | 119.1° |
| C14 | C42 | H42 | 121.1° | 120.5° |
| C14 | C15 | C16 | 121.0° | 119.1° |
| C14 | C15 | H15 | 119.5° | 120.5° |
| C16 | C15 | H15 | 119.5° | 120.4° |
| C15 | C16 | C17 | 117.4° | 119.6° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H18A | 108.7° | 109.5° |
| C18 | C19 | C20 | 117.6° | 120.0° |
| C18 | C19 | C30 | 120.6° | 119.9° |
| H18 | C18 | H18A | 110.2° | 109.5° |
| C20 | C19 | C30 | 121.8° | 120.2° |
| C19 | C20 | C21 | 121.3° | 120.3° |
| C19 | C20 | H20 | 119.4° | 119.9° |
| C19 | C30 | C23 | 117.7° | 119.8° |
| C19 | C30 | H30 | 121.2° | 120.2° |
| C21 | C20 | H20 | 119.3° | 119.9° |
| C20 | C21 | C22 | 117.0° | 120.1° |
| C20 | C21 | H21 | 121.5° | 120.0° |
| C22 | C21 | H21 | 121.5° | 119.9° |
| C21 | C22 | C23 | 122.1° | 119.9° |
| C21 | C22 | H22 | 118.9° | 120.1° |
| C23 | C22 | H22 | 118.9° | 120.0° |
| C22 | C23 | C24 | 118.2° | 120.1° |
| C22 | C23 | C30 | 120.1° | 119.7° |
| C24 | C23 | C30 | 121.7° | 120.1° |
| C23 | C24 | C25 | 119.6° | 120.1° |
| C23 | C24 | C29 | 121.4° | 120.2° |
| C23 | C30 | H30 | 121.1° | 120.0° |
| C25 | C24 | C29 | 118.9° | 119.7° |
| C24 | C25 | C26 | 119.9° | 119.9° |
| C24 | C25 | H25 | 120.0° | 120.1° |
| C24 | C29 | C28 | 121.6° | 119.9° |
| C24 | C29 | H29 | 119.2° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.4° | 120.1° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C27 | C26 | H26 | 119.8° | 119.9° |
| C26 | C27 | C28 | 120.4° | 120.3° |
| C26 | C27 | H27 | 119.8° | 119.8° |
| C28 | C27 | H27 | 119.8° | 119.9° |
| C27 | C28 | C29 | 118.7° | 120.1° |
| C27 | C28 | H28 | 120.6° | 119.9° |
| C29 | C28 | H28 | 120.6° | 120.0° |
| C28 | C29 | H29 | 119.2° | 120.1° |
| C32 | C31 | C42 | 116.9° | 119.6° |
| C31 | C42 | H42 | 121.1° | 120.4° |
| C37 | C33 | C34 | 108.9° | 110.0° |
| C37 | C33 | H33 | 108.0° | 109.9° |
| C33 | C37 | H37 | 110.6° | 109.4° |
| C33 | C37 | H37A | 110.6° | 109.5° |
| C34 | C33 | H33 | 112.3° | 109.9° |
| C33 | C34 | C35 | 105.5° | 102.9° |
| C33 | C34 | H34 | 110.8° | 110.7° |
| C33 | C34 | H34A | 110.8° | 110.7° |
| C35 | C34 | H34 | 110.8° | 110.8° |
| C35 | C34 | H34A | 110.8° | 110.8° |
| C34 | C35 | C36 | 106.4° | 101.6° |
| C34 | C35 | H35 | 110.5° | 111.0° |
| C34 | C35 | H35A | 110.5° | 111.0° |
| H34 | C34 | H34A | 108.1° | 110.8° |
| C36 | C35 | H35 | 110.5° | 111.0° |
| C36 | C35 | H35A | 110.5° | 111.0° |
| C35 | C36 | H36 | 111.3° | 110.2° |
| C35 | C36 | H36A | 111.2° | 110.5° |
| H35 | C35 | H35A | 108.4° | 110.9° |
| H36 | C36 | H36A | 107.6° | 110.4° |
| H37 | C37 | H37A | 108.3° | 109.5° |
| C39 | C38 | H38 | 112.1° | 110.4° |
| C39 | C38 | H38A | 112.1° | 110.4° |
| C38 | C39 | C40 | 105.9° | 101.6° |
| C38 | C39 | H39 | 110.7° | 111.0° |
| C38 | C39 | H39A | 110.7° | 111.0° |
| H38 | C38 | H38A | 106.7° | 110.4° |
| C40 | C39 | H39 | 110.7° | 111.0° |
| C40 | C39 | H39A | 110.7° | 111.0° |
| C39 | C40 | C41 | 110.0° | 103.1° |
| C39 | C40 | H40 | 109.3° | 110.7° |
| C39 | C40 | H40A | 109.3° | 110.7° |
| H39 | C39 | H39A | 108.2° | 110.9° |
| C41 | C40 | H40 | 109.3° | 110.7° |
| C41 | C40 | H40A | 109.3° | 110.9° |
| C40 | C41 | H41 | 113.3° | 109.9° |
| C40 | C41 | H41A | 113.3° | 109.9° |
| H40 | C40 | H40A | 109.7° | 110.6° |
| H41 | C41 | H41A | 105.4° | 110.0° |
| C44 | C43 | H43 | 121.5° | 120.5° |
| C43 | C44 | C45 | 123.7° | 119.6° |
| C47 | C46 | C53 | 121.9° | 109.5° |
| C47 | C46 | H46 | 111.4° | 109.5° |
| C46 | C47 | C52 | 107.0° | 109.5° |
| C46 | C47 | C48 | 121.1° | 109.5° |
| C46 | C47 | H47 | 104.0° | 109.4° |
| C53 | C46 | H46 | 73.1° | 109.5° |
| C52 | C47 | C48 | 112.4° | 109.5° |
| C52 | C47 | H47 | 114.5° | 109.5° |
| C47 | C52 | C51 | 110.1° | 109.5° |
| C47 | C52 | H52 | 109.3° | 109.4° |
| C47 | C52 | H52A | 109.2° | 109.4° |
| C48 | C47 | H47 | 97.4° | 109.5° |
| C47 | C48 | C49 | 109.8° | 109.5° |
| C47 | C48 | H48 | 109.4° | 109.5° |
| C47 | C48 | H48A | 109.3° | 109.5° |
| C49 | C48 | H48 | 109.4° | 109.5° |
| C49 | C48 | H48A | 109.4° | 109.4° |
| C48 | C49 | C50 | 116.8° | 109.4° |
| C48 | C49 | H49 | 107.1° | 109.5° |
| C48 | C49 | H49A | 107.1° | 109.5° |
| H48 | C48 | H48A | 109.6° | 109.5° |
| C50 | C49 | H49 | 107.1° | 109.5° |
| C50 | C49 | H49A | 107.1° | 109.4° |
| C49 | C50 | C51 | 115.8° | 109.5° |
| C49 | C50 | H50 | 107.4° | 109.4° |
| C49 | C50 | H50A | 107.4° | 109.4° |
| H49 | C49 | H49A | 111.7° | 109.5° |
| C51 | C50 | H50 | 107.4° | 109.5° |
| C51 | C50 | H50A | 107.4° | 109.5° |
| C50 | C51 | C52 | 112.2° | 109.5° |
| C50 | C51 | H51 | 108.6° | 109.5° |
| C50 | C51 | H51A | 108.6° | 109.5° |
| H50 | C50 | H50A | 111.4° | 109.5° |
| C52 | C51 | H51 | 108.6° | 109.5° |
| C52 | C51 | H51A | 108.6° | 109.5° |
| C51 | C52 | H52 | 109.3° | 109.5° |
| C51 | C52 | H52A | 109.3° | 109.5° |
| H51 | C51 | H51A | 110.4° | 109.5° |
| H52 | C52 | H52A | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C11 | 172.7° | 179.7° |
| O1 | C1 | N1 | C2 | 9.1° | 3.5° |
| O1 | C1 | N1 | C5 | 176.1° | 176.1° |
| O1 | C1 | C11 | N8 | 151.1° | 179.7° |
| O1 | C1 | C11 | C12 | 28.8° | 0.3° |
| C1 | N1 | C2 | C5 | 175.8° | 179.7° |
| C1 | N1 | C2 | C6 | 14.2° | 61.6° |
| C1 | N1 | C2 | C3 | 140.6° | 179.0° |
| C1 | N1 | C2 | H2 | 100.4° | 59.5° |
| C1 | N1 | C5 | C4 | 142.7° | 155.8° |
| C1 | N1 | C5 | H5 | 22.7° | 85.2° |
| C1 | N1 | C5 | H5A | 97.3° | 37.1° |
| N1 | C1 | C11 | N8 | 35.9° | 0.1° |
| N1 | C1 | C11 | C12 | 144.2° | 180.0° |
| C11 | C1 | N1 | C2 | 178.2° | 176.2° |
| C11 | C1 | N1 | C5 | 3.4° | 4.2° |
| C1 | C11 | N8 | C12 | 179.9° | 179.9° |
| C1 | C11 | N8 | C44 | 176.0° | 180.0° |
| C1 | C11 | C12 | C13 | 179.8° | 180.0° |
| C1 | C11 | C12 | H12 | 0.2° | 0.0° |
| N1 | C2 | C6 | C3 | 117.5° | 117.8° |
| N1 | C2 | C6 | H2 | 123.9° | 121.1° |
| N1 | C2 | C3 | H2 | 124.2° | 119.5° |
| N1 | C2 | C6 | N2 | 168.3° | 175.7° |
| N1 | C2 | C3 | C4 | 28.1° | 22.2° |
| N1 | C2 | C3 | H3 | 148.1° | 140.6° |
| N1 | C2 | C3 | H3A | 91.9° | 96.2° |
| C2 | N1 | C5 | C4 | 41.5° | 24.5° |
| C2 | N1 | C5 | H5 | 161.5° | 94.5° |
| C2 | N1 | C5 | H5A | 78.5° | 143.2° |
| N1 | C2 | C6 | H6 | 48.3° | 55.6° |
| N1 | C2 | C6 | H6A | 71.7° | 64.4° |
| C5 | N1 | C2 | C6 | 170.0° | 118.1° |
| C5 | N1 | C2 | C3 | 43.6° | 1.3° |
| C5 | N1 | C2 | H2 | 75.5° | 120.8° |
| N1 | C5 | C4 | C3 | 23.0° | 37.3° |
| N1 | C5 | C4 | H5 | 120.0° | 118.9° |
| N1 | C5 | C4 | H5A | 120.0° | 118.7° |
| N1 | C5 | C4 | H4 | 143.0° | 80.8° |
| N1 | C5 | C4 | H4A | 97.1° | 155.3° |
| N1 | C5 | H5 | H5A | 122.3° | 122.3° |
| C6 | C2 | C3 | H2 | 114.3° | 121.1° |
| C2 | C6 | N2 | C7 | 72.2° | 94.5° |
| C2 | C6 | N2 | C10 | 109.1° | 85.8° |
| C2 | C6 | N2 | H6 | 120.0° | 120.1° |
| C2 | C6 | N2 | H6A | 120.0° | 120.0° |
| C6 | C2 | C3 | C4 | 149.6° | 141.6° |
| C6 | C2 | C3 | H3 | 90.4° | 100.0° |
| C6 | C2 | C3 | H3A | 29.6° | 23.2° |
| C2 | C6 | H6 | H6A | 120.8° | 120.0° |
| C3 | C2 | C6 | N2 | 74.2° | 66.5° |
| C2 | C3 | C4 | H3 | 120.0° | 118.3° |
| C2 | C3 | C4 | H3A | 120.0° | 118.4° |
| C2 | C3 | H3 | H3A | 121.9° | 123.2° |
| C2 | C3 | C4 | C5 | 3.3° | 35.7° |
| C2 | C3 | C4 | H4 | 116.7° | 82.5° |
| C2 | C3 | C4 | H4A | 123.3° | 153.6° |
| C3 | C2 | C6 | H6 | 165.8° | 173.5° |
| C3 | C2 | C6 | H6A | 45.8° | 53.5° |
| H2 | C2 | C6 | N2 | 44.4° | 54.6° |
| H2 | C2 | C3 | C4 | 96.1° | 97.3° |
| H2 | C2 | C3 | H3 | 23.9° | 21.1° |
| H2 | C2 | C3 | H3A | 143.9° | 144.3° |
| H2 | C2 | C6 | H6 | 75.6° | 65.4° |
| H2 | C2 | C6 | H6A | 164.4° | 174.6° |
| C7 | N2 | C10 | C6 | 178.7° | 179.7° |
| C7 | N2 | C6 | H6 | 47.8° | 25.6° |
| C7 | N2 | C6 | H6A | 167.8° | 145.6° |
| N2 | C7 | C8 | H7 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 9.8° | 0.0° |
| N2 | C7 | C8 | H8 | 170.1° | 180.0° |
| C7 | N2 | C10 | C9 | 0.5° | 0.4° |
| C7 | N2 | C10 | H10 | 179.5° | 180.0° |
| C10 | N2 | C6 | H6 | 130.9° | 154.1° |
| C10 | N2 | C6 | H6A | 10.8° | 34.1° |
| C10 | N2 | C7 | C8 | 6.6° | 0.3° |
| C10 | N2 | C7 | H7 | 173.4° | 179.7° |
| N2 | C10 | C9 | C8 | 6.0° | 0.4° |
| N2 | C10 | C9 | H10 | 180.0° | 179.6° |
| N2 | C10 | C9 | H9 | 173.9° | 179.8° |
| N2 | C6 | H6 | H6A | 120.9° | 120.0° |
| C6 | N2 | C7 | C8 | 172.0° | 180.0° |
| C6 | N2 | C7 | H7 | 7.9° | 0.0° |
| C6 | N2 | C10 | C9 | 178.2° | 179.8° |
| C6 | N2 | C10 | H10 | 1.8° | 0.2° |
| O2 | C17 | N3 | C16 | 162.0° | 180.0° |
| O2 | C17 | N3 | C18 | 11.4° | 0.0° |
| O2 | C17 | N3 | HN3 | 168.6° | 180.0° |
| O2 | C17 | C16 | N4 | 178.9° | 180.0° |
| O2 | C17 | C16 | C15 | 10.1° | 0.0° |
| C4 | C3 | H3 | H3A | 121.9° | 123.3° |
| C3 | C4 | C5 | H4 | 120.0° | 118.1° |
| C3 | C4 | C5 | H4A | 120.0° | 118.0° |
| C3 | C4 | H4 | H4A | 121.7° | 123.9° |
| C3 | C4 | C5 | H5 | 143.0° | 81.5° |
| C3 | C4 | C5 | H5A | 97.0° | 156.0° |
| H3 | C3 | C4 | C5 | 123.3° | 154.0° |
| H3 | C3 | C4 | H4 | 3.3° | 35.8° |
| H3 | C3 | C4 | H4A | 116.7° | 88.0° |
| H3A | C3 | C4 | C5 | 116.7° | 82.7° |
| H3A | C3 | C4 | H4 | 123.3° | 159.1° |
| H3A | C3 | C4 | H4A | 3.3° | 35.2° |
| C17 | N3 | C18 | HN3 | 180.0° | 180.0° |
| N3 | C17 | C16 | N4 | 19.2° | 0.0° |
| N3 | C17 | C16 | C15 | 151.9° | 180.0° |
| C17 | N3 | C18 | C19 | 107.7° | 180.0° |
| C17 | N3 | C18 | H18 | 12.3° | 60.0° |
| C17 | N3 | C18 | H18A | 132.3° | 60.0° |
| C18 | N3 | C17 | C16 | 173.3° | 180.0° |
| N3 | C18 | C19 | H18 | 120.0° | 120.0° |
| N3 | C18 | C19 | H18A | 120.0° | 120.0° |
| N3 | C18 | H18 | H18A | 119.0° | 120.0° |
| N3 | C18 | C19 | C20 | 75.8° | 90.0° |
| N3 | C18 | C19 | C30 | 104.7° | 90.3° |
| HN3 | N3 | C17 | C16 | 6.7° | 0.0° |
| HN3 | N3 | C18 | C19 | 72.3° | 0.0° |
| HN3 | N3 | C18 | H18 | 167.7° | 120.0° |
| HN3 | N3 | C18 | H18A | 47.7° | 120.0° |
| O3 | C32 | C31 | N4 | 153.5° | 180.0° |
| O3 | C32 | N5 | C33 | 14.2° | 3.8° |
| O3 | C32 | N5 | C36 | 175.3° | 175.8° |
| O3 | C32 | N5 | C31 | 168.2° | 180.0° |
| O3 | C32 | C31 | C42 | 29.4° | 0.0° |
| C5 | C4 | H4 | H4A | 121.7° | 123.9° |
| C4 | C5 | H5 | H5A | 122.3° | 122.4° |
| H4 | C4 | C5 | H5 | 97.0° | 160.3° |
| H4 | C4 | C5 | H5A | 23.0° | 37.9° |
| H4A | C4 | C5 | H5 | 23.0° | 36.4° |
| H4A | C4 | C5 | H5A | 143.0° | 86.0° |
| N4 | C31 | C32 | N5 | 37.7° | 0.1° |
| N4 | C31 | C42 | C14 | 0.5° | 0.1° |
| C31 | N4 | C16 | C15 | 3.3° | 0.0° |
| C31 | N4 | C16 | C17 | 174.2° | 180.0° |
| N4 | C31 | C32 | C42 | 177.2° | 180.0° |
| N4 | C31 | C42 | H42 | 179.5° | 180.0° |
| N4 | C16 | C15 | C14 | 3.6° | 0.0° |
| N4 | C16 | C15 | C17 | 171.4° | 180.0° |
| N4 | C16 | C15 | H15 | 176.4° | 180.0° |
| C16 | N4 | C31 | C32 | 175.1° | 180.0° |
| C16 | N4 | C31 | C42 | 1.9° | 0.1° |
| O4 | C53 | O5 | C46 | 174.9° | 180.0° |
| O4 | C53 | C46 | N7 | 120.8° | 180.0° |
| O4 | C53 | C46 | C47 | 37.8° | 60.0° |
| O4 | C53 | C46 | H46 | 142.9° | 60.0° |
| HO4 | O4 | C53 | O5 | 0.0° | 0.0° |
| HO4 | O4 | C53 | C46 | 174.2° | 180.0° |
| C33 | N5 | C36 | C32 | 171.8° | 179.6° |
| N5 | C33 | C37 | N6 | 106.6° | 166.7° |
| C33 | N5 | C32 | C31 | 177.6° | 176.2° |
| N5 | C33 | C37 | C34 | 116.8° | 117.9° |
| N5 | C33 | C37 | H33 | 121.0° | 121.0° |
| N5 | C33 | C34 | H33 | 120.9° | 119.4° |
| N5 | C33 | C34 | C35 | 3.1° | 22.2° |
| N5 | C33 | C34 | H34 | 116.9° | 140.6° |
| N5 | C33 | C34 | H34A | 123.1° | 96.2° |
| C33 | N5 | C36 | C35 | 27.4° | 24.2° |
| C33 | N5 | C36 | H36 | 147.4° | 94.5° |
| C33 | N5 | C36 | H36A | 92.6° | 143.2° |
| N5 | C33 | C37 | H37 | 133.4° | 73.3° |
| N5 | C33 | C37 | H37A | 13.4° | 46.7° |
| C36 | N5 | C32 | C31 | 7.2° | 4.2° |
| C36 | N5 | C33 | C37 | 133.7° | 118.5° |
| C36 | N5 | C33 | C34 | 15.5° | 1.1° |
| C36 | N5 | C33 | H33 | 106.6° | 120.5° |
| N5 | C36 | C35 | C34 | 29.0° | 37.1° |
| N5 | C36 | C35 | H36 | 120.0° | 118.8° |
| N5 | C36 | C35 | H36A | 120.0° | 118.9° |
| N5 | C36 | C35 | H35 | 149.0° | 81.0° |
| N5 | C36 | C35 | H35A | 91.0° | 155.1° |
| N5 | C36 | H36 | H36A | 122.1° | 122.3° |
| N5 | C32 | C31 | C42 | 139.5° | 180.0° |
| C32 | N5 | C33 | C37 | 54.6° | 61.2° |
| C32 | N5 | C33 | C34 | 172.8° | 179.2° |
| C32 | N5 | C33 | H33 | 65.1° | 59.9° |
| C32 | N5 | C36 | C35 | 160.7° | 156.2° |
| C32 | N5 | C36 | H36 | 40.7° | 85.2° |
| C32 | N5 | C36 | H36A | 79.3° | 37.2° |
| O5 | C53 | C46 | N7 | 64.4° | 0.0° |
| O5 | C53 | C46 | C47 | 137.0° | 120.0° |
| O5 | C53 | C46 | H46 | 31.9° | 120.0° |
| C38 | N6 | C37 | C41 | 178.3° | 120.8° |
| C38 | N6 | C37 | C33 | 170.6° | 57.2° |
| C38 | N6 | C37 | H37 | 50.6° | 62.7° |
| C38 | N6 | C37 | H37A | 69.4° | 177.2° |
| N6 | C38 | C39 | H38 | 120.0° | 118.8° |
| N6 | C38 | C39 | H38A | 120.0° | 118.9° |
| N6 | C38 | H38 | H38A | 123.1° | 122.3° |
| N6 | C38 | C39 | C40 | 7.2° | 37.0° |
| N6 | C38 | C39 | H39 | 112.8° | 155.2° |
| N6 | C38 | C39 | H39A | 127.2° | 81.0° |
| C38 | N6 | C41 | C40 | 25.9° | 1.0° |
| C38 | N6 | C41 | H41 | 94.1° | 120.4° |
| C38 | N6 | C41 | H41A | 145.9° | 118.4° |
| N6 | C37 | C33 | H37 | 120.0° | 120.0° |
| N6 | C37 | C33 | H37A | 120.0° | 120.0° |
| N6 | C37 | C33 | C34 | 136.6° | 75.4° |
| N6 | C37 | C33 | H33 | 14.4° | 45.7° |
| N6 | C37 | H37 | H37A | 121.4° | 120.0° |
| C37 | N6 | C38 | C39 | 156.1° | 146.4° |
| C37 | N6 | C38 | H38 | 36.1° | 27.5° |
| C37 | N6 | C38 | H38A | 83.9° | 94.8° |
| C37 | N6 | C41 | C40 | 152.5° | 123.3° |
| C37 | N6 | C41 | H41 | 87.5° | 117.3° |
| C37 | N6 | C41 | H41A | 32.5° | 3.8° |
| C41 | N6 | C37 | C33 | 11.1° | 178.1° |
| C41 | N6 | C37 | H37 | 131.1° | 58.1° |
| C41 | N6 | C37 | H37A | 108.9° | 61.9° |
| C41 | N6 | C38 | C39 | 22.3° | 24.1° |
| C41 | N6 | C38 | H38 | 142.2° | 94.7° |
| C41 | N6 | C38 | H38A | 97.7° | 142.9° |
| N6 | C41 | C40 | C39 | 18.6° | 22.3° |
| N6 | C41 | C40 | H41 | 120.0° | 119.4° |
| N6 | C41 | C40 | H41A | 120.0° | 119.4° |
| N6 | C41 | C40 | H40 | 101.4° | 96.1° |
| N6 | C41 | C40 | H40A | 138.6° | 140.7° |
| N6 | C41 | H41 | H41A | 124.4° | 121.1° |
| O6 | C45 | N7 | C44 | 157.1° | 180.0° |
| O6 | C45 | N7 | C46 | 17.6° | 0.0° |
| O6 | C45 | N7 | HN7 | 162.4° | 180.0° |
| O6 | C45 | C44 | N8 | 154.6° | 180.0° |
| O6 | C45 | C44 | C43 | 11.4° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 10.4° | 0.3° |
| C7 | C8 | C9 | H9 | 169.6° | 180.0° |
| H7 | C7 | C8 | C9 | 170.2° | 180.0° |
| H7 | C7 | C8 | H8 | 9.8° | 0.0° |
| C45 | N7 | C46 | HN7 | 180.0° | 179.9° |
| N7 | C45 | C44 | N8 | 2.8° | 0.0° |
| N7 | C45 | C44 | C43 | 168.8° | 179.9° |
| C45 | N7 | C46 | C47 | 72.8° | 155.0° |
| C45 | N7 | C46 | C53 | 87.9° | 85.0° |
| C45 | N7 | C46 | H46 | 167.1° | 35.0° |
| C46 | N7 | C45 | C44 | 174.7° | 180.0° |
| N7 | C46 | C47 | C53 | 161.2° | 120.0° |
| N7 | C46 | C47 | H46 | 115.9° | 120.0° |
| N7 | C46 | C53 | H46 | 96.3° | 120.0° |
| N7 | C46 | C47 | C52 | 136.8° | 59.9° |
| N7 | C46 | C47 | C48 | 92.5° | 180.0° |
| N7 | C46 | C47 | H47 | 15.3° | 60.0° |
| HN7 | N7 | C45 | C44 | 5.3° | 0.0° |
| HN7 | N7 | C46 | C47 | 107.2° | 25.1° |
| HN7 | N7 | C46 | C53 | 92.1° | 95.0° |
| HN7 | N7 | C46 | H46 | 12.9° | 145.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | H10 | 174.0° | 180.0° |
| H8 | C8 | C9 | C10 | 169.6° | 179.8° |
| H8 | C8 | C9 | H9 | 10.4° | 0.0° |
| N8 | C11 | C12 | C13 | 0.1° | 0.1° |
| N8 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | N8 | C44 | C43 | 7.1° | 0.1° |
| C11 | N8 | C44 | C45 | 173.5° | 180.0° |
| C44 | N8 | C11 | C12 | 4.2° | 0.1° |
| N8 | C44 | C43 | C13 | 5.4° | 0.0° |
| N8 | C44 | C43 | C45 | 165.0° | 179.9° |
| N8 | C44 | C43 | H43 | 174.5° | 179.9° |
| H9 | C9 | C10 | H10 | 6.1° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 179.9° |
| C11 | C12 | C13 | C43 | 1.5° | 0.0° |
| C12 | C13 | C14 | C43 | 179.1° | 179.9° |
| C12 | C13 | C14 | C42 | 2.1° | 180.0° |
| C12 | C13 | C14 | C15 | 176.9° | 0.0° |
| C12 | C13 | C43 | C44 | 1.2° | 0.0° |
| C12 | C13 | C43 | H43 | 178.8° | 180.0° |
| H12 | C12 | C13 | C14 | 0.5° | 0.1° |
| H12 | C12 | C13 | C43 | 178.5° | 180.0° |
| C13 | C14 | C42 | C15 | 179.0° | 179.9° |
| C13 | C14 | C15 | C16 | 178.7° | 180.0° |
| C13 | C14 | C15 | H15 | 1.3° | 0.0° |
| C13 | C14 | C42 | C31 | 179.8° | 180.0° |
| C13 | C14 | C42 | H42 | 0.2° | 0.1° |
| C14 | C13 | C43 | C44 | 177.8° | 180.0° |
| C14 | C13 | C43 | H43 | 2.2° | 0.1° |
| C43 | C13 | C14 | C42 | 178.9° | 0.1° |
| C43 | C13 | C14 | C15 | 2.2° | 180.0° |
| C13 | C43 | C44 | H43 | 180.0° | 180.0° |
| C13 | C43 | C44 | C45 | 170.4° | 179.9° |
| C42 | C14 | C15 | C16 | 2.3° | 0.0° |
| C42 | C14 | C15 | H15 | 177.7° | 180.0° |
| C14 | C42 | C31 | C32 | 176.6° | 180.0° |
| C14 | C42 | C31 | H42 | 180.0° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 175.0° | 180.0° |
| C15 | C14 | C42 | C31 | 0.8° | 0.1° |
| C15 | C14 | C42 | H42 | 179.2° | 180.0° |
| H15 | C15 | C16 | C17 | 5.0° | 0.0° |
| C19 | C18 | H18 | H18A | 119.1° | 120.1° |
| C18 | C19 | C20 | C30 | 179.6° | 179.7° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 0.1° | 0.1° |
| C18 | C19 | C30 | C23 | 179.1° | 179.8° |
| C18 | C19 | C30 | H30 | 0.9° | 0.3° |
| H18 | C18 | C19 | C20 | 44.2° | 30.0° |
| H18 | C18 | C19 | C30 | 135.4° | 149.7° |
| H18A | C18 | C19 | C20 | 164.2° | 150.0° |
| H18A | C18 | C19 | C30 | 15.3° | 29.7° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C19 | C20 | C21 | H21 | 179.3° | 180.0° |
| C20 | C19 | C30 | C23 | 0.4° | 0.6° |
| C20 | C19 | C30 | H30 | 179.6° | 180.0° |
| C30 | C19 | C20 | C21 | 0.3° | 0.3° |
| C30 | C19 | C20 | H20 | 179.7° | 179.8° |
| C19 | C30 | C23 | C22 | 0.7° | 0.5° |
| C19 | C30 | C23 | C24 | 179.7° | 179.7° |
| C19 | C30 | C23 | H30 | 180.0° | 179.4° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C20 | C21 | C22 | H22 | 179.5° | 179.9° |
| H20 | C20 | C21 | C22 | 179.3° | 179.9° |
| H20 | C20 | C21 | H21 | 0.7° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.3° | 180.0° |
| C21 | C22 | C23 | C30 | 0.2° | 0.3° |
| H21 | C21 | C22 | C23 | 179.5° | 180.0° |
| H21 | C21 | C22 | H22 | 0.5° | 0.1° |
| C22 | C23 | C24 | C30 | 179.1° | 179.8° |
| C22 | C23 | C24 | C25 | 2.1° | 179.7° |
| C22 | C23 | C24 | C29 | 179.7° | 0.0° |
| C22 | C23 | C30 | H30 | 179.3° | 180.0° |
| H22 | C22 | C23 | C24 | 0.7° | 0.0° |
| H22 | C22 | C23 | C30 | 179.8° | 179.8° |
| C23 | C24 | C25 | C29 | 178.3° | 179.7° |
| C23 | C24 | C25 | C26 | 179.3° | 180.0° |
| C23 | C24 | C25 | H25 | 0.7° | 0.1° |
| C23 | C24 | C29 | C28 | 179.9° | 179.7° |
| C23 | C24 | C29 | H29 | 0.2° | 0.0° |
| C24 | C23 | C30 | H30 | 0.3° | 0.2° |
| C30 | C23 | C24 | C25 | 177.0° | 0.5° |
| C30 | C23 | C24 | C29 | 1.3° | 179.8° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 1.0° | 0.0° |
| C24 | C25 | C26 | H26 | 179.0° | 179.9° |
| C25 | C24 | C29 | C28 | 1.9° | 0.6° |
| C25 | C24 | C29 | H29 | 178.1° | 179.7° |
| C29 | C24 | C25 | C26 | 1.0° | 0.3° |
| C29 | C24 | C25 | H25 | 179.0° | 179.8° |
| C24 | C29 | C28 | C27 | 0.8° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.7° |
| C24 | C29 | C28 | H28 | 179.2° | 179.6° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 2.1° | 0.0° |
| C25 | C26 | C27 | H27 | 177.9° | 179.9° |
| H25 | C25 | C26 | C27 | 179.0° | 179.9° |
| H25 | C25 | C26 | H26 | 1.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.2° | 0.3° |
| C26 | C27 | C28 | H28 | 178.8° | 179.9° |
| H26 | C26 | C27 | C28 | 177.9° | 179.9° |
| H26 | C26 | C27 | H27 | 2.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | H29 | 179.2° | 179.7° |
| H27 | C27 | C28 | C29 | 178.8° | 179.8° |
| H27 | C27 | C28 | H28 | 1.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.8° | 0.1° |
| C32 | C31 | C42 | H42 | 3.4° | 0.1° |
| C37 | C33 | C34 | H33 | 119.6° | 121.1° |
| C37 | C33 | C34 | C35 | 116.5° | 141.7° |
| C37 | C33 | C34 | H34 | 123.5° | 99.9° |
| C37 | C33 | C34 | H34A | 3.5° | 23.3° |
| C33 | C37 | H37 | H37A | 121.3° | 120.0° |
| C33 | C34 | C35 | H34 | 120.0° | 118.3° |
| C33 | C34 | C35 | H34A | 120.0° | 118.3° |
| C33 | C34 | H34 | H34A | 121.6° | 123.2° |
| C33 | C34 | C35 | C36 | 19.6° | 35.5° |
| C33 | C34 | C35 | H35 | 139.6° | 82.6° |
| C33 | C34 | C35 | H35A | 100.4° | 153.6° |
| C34 | C33 | C37 | H37 | 16.6° | 44.6° |
| C34 | C33 | C37 | H37A | 103.4° | 164.6° |
| H33 | C33 | C34 | C35 | 123.9° | 97.2° |
| H33 | C33 | C34 | H34 | 3.9° | 21.2° |
| H33 | C33 | C34 | H34A | 116.0° | 144.4° |
| H33 | C33 | C37 | H37 | 105.6° | 165.7° |
| H33 | C33 | C37 | H37A | 134.4° | 74.3° |
| C35 | C34 | H34 | H34A | 121.6° | 123.3° |
| C34 | C35 | C36 | H35 | 120.0° | 118.1° |
| C34 | C35 | C36 | H35A | 120.0° | 118.0° |
| C34 | C35 | H35 | H35A | 121.3° | 123.8° |
| C34 | C35 | C36 | H36 | 149.0° | 81.8° |
| C34 | C35 | C36 | H36A | 91.0° | 156.0° |
| H34 | C34 | C35 | C36 | 100.4° | 153.9° |
| H34 | C34 | C35 | H35 | 19.6° | 35.8° |
| H34 | C34 | C35 | H35A | 139.6° | 88.1° |
| H34A | C34 | C35 | C36 | 139.6° | 82.8° |
| H34A | C34 | C35 | H35 | 100.4° | 159.1° |
| H34A | C34 | C35 | H35A | 19.6° | 35.3° |
| C36 | C35 | H35 | H35A | 121.2° | 124.0° |
| C35 | C36 | H36 | H36A | 122.1° | 122.3° |
| H35 | C35 | C36 | H36 | 91.0° | 160.2° |
| H35 | C35 | C36 | H36A | 29.0° | 37.9° |
| H35A | C35 | C36 | H36 | 29.0° | 36.3° |
| H35A | C35 | C36 | H36A | 149.0° | 86.0° |
| C39 | C38 | H38 | H38A | 123.1° | 122.3° |
| C38 | C39 | C40 | H39 | 120.0° | 118.1° |
| C38 | C39 | C40 | H39A | 120.0° | 118.0° |
| C38 | C39 | H39 | H39A | 121.4° | 123.8° |
| C38 | C39 | C40 | C41 | 7.4° | 35.6° |
| C38 | C39 | C40 | H40 | 112.6° | 82.8° |
| C38 | C39 | C40 | H40A | 127.4° | 154.3° |
| H38 | C38 | C39 | C40 | 127.2° | 81.8° |
| H38 | C38 | C39 | H39 | 7.2° | 36.3° |
| H38 | C38 | C39 | H39A | 112.8° | 160.2° |
| H38A | C38 | C39 | C40 | 112.8° | 155.9° |
| H38A | C38 | C39 | H39 | 127.2° | 86.0° |
| H38A | C38 | C39 | H39A | 7.2° | 37.9° |
| C40 | C39 | H39 | H39A | 121.5° | 123.9° |
| C39 | C40 | C41 | H40 | 120.0° | 118.4° |
| C39 | C40 | C41 | H40A | 120.0° | 118.5° |
| C39 | C40 | H40 | H40A | 119.8° | 123.0° |
| C39 | C40 | C41 | H41 | 101.4° | 97.1° |
| C39 | C40 | C41 | H41A | 138.6° | 141.7° |
| H39 | C39 | C40 | C41 | 127.3° | 153.7° |
| H39 | C39 | C40 | H40 | 7.3° | 35.4° |
| H39 | C39 | C40 | H40A | 112.7° | 87.6° |
| H39A | C39 | C40 | C41 | 112.6° | 82.4° |
| H39A | C39 | C40 | H40 | 127.4° | 159.2° |
| H39A | C39 | C40 | H40A | 7.4° | 36.2° |
| C41 | C40 | H40 | H40A | 119.8° | 123.3° |
| C40 | C41 | H41 | H41A | 124.4° | 121.2° |
| H40 | C40 | C41 | H41 | 138.6° | 144.5° |
| H40 | C40 | C41 | H41A | 18.6° | 23.3° |
| H40A | C40 | C41 | H41 | 18.6° | 21.4° |
| H40A | C40 | C41 | H41A | 101.4° | 99.9° |
| H43 | C43 | C44 | C45 | 9.6° | 0.0° |
| C47 | C46 | C53 | H46 | 105.1° | 120.0° |
| C46 | C47 | C52 | C48 | 135.3° | 120.0° |
| C46 | C47 | C52 | H47 | 114.7° | 120.0° |
| C46 | C47 | C48 | H47 | 111.4° | 119.9° |
| C46 | C47 | C48 | C49 | 171.5° | 180.0° |
| C46 | C47 | C48 | H48 | 51.5° | 60.0° |
| C46 | C47 | C48 | H48A | 68.5° | 60.0° |
| C46 | C47 | C52 | C51 | 154.3° | 180.0° |
| C46 | C47 | C52 | H52 | 34.2° | 59.9° |
| C46 | C47 | C52 | H52A | 85.7° | 60.0° |
| C53 | C46 | C47 | C52 | 61.9° | 180.0° |
| C53 | C46 | C47 | C48 | 68.7° | 60.0° |
| C53 | C46 | C47 | H47 | 176.6° | 60.0° |
| H46 | C46 | C47 | C52 | 21.0° | 60.0° |
| H46 | C46 | C47 | C48 | 151.6° | 60.0° |
| H46 | C46 | C47 | H47 | 100.6° | 180.0° |
| C52 | C47 | C48 | H47 | 120.4° | 120.0° |
| C52 | C47 | C48 | C49 | 43.2° | 60.0° |
| C52 | C47 | C48 | H48 | 76.8° | 60.0° |
| C52 | C47 | C48 | H48A | 163.2° | 180.0° |
| C47 | C52 | C51 | C50 | 35.0° | 60.0° |
| C47 | C52 | C51 | H52 | 120.0° | 120.0° |
| C47 | C52 | C51 | H52A | 120.0° | 119.9° |
| C47 | C52 | C51 | H51 | 155.0° | 180.0° |
| C47 | C52 | C51 | H51A | 84.9° | 60.0° |
| C47 | C52 | H52 | H52A | 119.7° | 119.9° |
| C47 | C48 | C49 | H48 | 120.0° | 120.0° |
| C47 | C48 | C49 | H48A | 120.0° | 120.0° |
| C47 | C48 | H48 | H48A | 119.9° | 120.0° |
| C47 | C48 | C49 | C50 | 12.4° | 60.0° |
| C47 | C48 | C49 | H49 | 107.6° | 180.0° |
| C47 | C48 | C49 | H49A | 132.4° | 60.0° |
| C48 | C47 | C52 | C51 | 70.4° | 60.0° |
| C48 | C47 | C52 | H52 | 169.6° | 180.0° |
| C48 | C47 | C52 | H52A | 49.6° | 60.0° |
| H47 | C47 | C48 | C49 | 77.2° | 60.0° |
| H47 | C47 | C48 | H48 | 162.8° | 180.0° |
| H47 | C47 | C48 | H48A | 42.9° | 60.0° |
| H47 | C47 | C52 | C51 | 39.6° | 60.0° |
| H47 | C47 | C52 | H52 | 80.5° | 60.0° |
| H47 | C47 | C52 | H52A | 159.6° | 180.0° |
| C49 | C48 | H48 | H48A | 119.9° | 120.0° |
| C48 | C49 | C50 | H49 | 120.0° | 120.0° |
| C48 | C49 | C50 | H49A | 120.0° | 120.0° |
| C48 | C49 | H49 | H49A | 117.0° | 120.1° |
| C48 | C49 | C50 | C51 | 45.0° | 60.0° |
| C48 | C49 | C50 | H50 | 165.0° | 60.0° |
| C48 | C49 | C50 | H50A | 75.1° | 180.0° |
| H48 | C48 | C49 | C50 | 132.4° | 60.0° |
| H48 | C48 | C49 | H49 | 12.4° | 60.0° |
| H48 | C48 | C49 | H49A | 107.6° | 180.0° |
| H48A | C48 | C49 | C50 | 107.6° | 180.0° |
| H48A | C48 | C49 | H49 | 132.4° | 60.1° |
| H48A | C48 | C49 | H49A | 12.4° | 60.0° |
| C50 | C49 | H49 | H49A | 117.0° | 120.0° |
| C49 | C50 | C51 | H50 | 120.0° | 120.0° |
| C49 | C50 | C51 | H50A | 120.0° | 120.0° |
| C49 | C50 | H50 | H50A | 117.4° | 119.9° |
| C49 | C50 | C51 | C52 | 18.6° | 60.0° |
| C49 | C50 | C51 | H51 | 101.4° | 180.0° |
| C49 | C50 | C51 | H51A | 138.6° | 60.0° |
| H49 | C49 | C50 | C51 | 75.0° | 180.0° |
| H49 | C49 | C50 | H50 | 44.9° | 60.0° |
| H49 | C49 | C50 | H50A | 164.9° | 60.0° |
| H49A | C49 | C50 | C51 | 165.0° | 60.0° |
| H49A | C49 | C50 | H50 | 75.0° | 180.0° |
| H49A | C49 | C50 | H50A | 45.0° | 60.0° |
| C51 | C50 | H50 | H50A | 117.4° | 120.0° |
| C50 | C51 | C52 | H51 | 120.0° | 120.0° |
| C50 | C51 | C52 | H51A | 120.0° | 120.0° |
| C50 | C51 | H51 | H51A | 118.9° | 120.0° |
| C50 | C51 | C52 | H52 | 155.1° | 180.0° |
| C50 | C51 | C52 | H52A | 85.0° | 60.0° |
| H50 | C50 | C51 | C52 | 138.6° | 60.0° |
| H50 | C50 | C51 | H51 | 18.6° | 60.0° |
| H50 | C50 | C51 | H51A | 101.4° | 180.0° |
| H50A | C50 | C51 | C52 | 101.4° | 180.0° |
| H50A | C50 | C51 | H51 | 138.6° | 60.0° |
| H50A | C50 | C51 | H51A | 18.6° | 60.0° |
| C52 | C51 | H51 | H51A | 118.9° | 120.0° |
| C51 | C52 | H52 | H52A | 119.7° | 120.1° |
| H51 | C51 | C52 | H52 | 84.9° | 60.0° |
| H51 | C51 | C52 | H52A | 35.0° | 60.0° |
| H51A | C51 | C52 | H52 | 35.1° | 60.0° |
| H51A | C51 | C52 | H52A | 155.1° | 180.0° |
