3YJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | N1 | sing | 1.46Å | 1.46Å | |
| C30 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C29 | sing | 1.35Å | 1.45Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C29 | O3 | doub | 1.21Å | 1.19Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| O1 | C3 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.46Å | Aromatic |
| C7 | C5 | sing | 1.51Å | 1.63Å | |
| C5 | C6 | doub | 1.38Å | 1.48Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.50Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.59Å | |
| C10 | C14 | sing | 1.52Å | 1.70Å | |
| C11 | C9 | sing | 1.52Å | 1.56Å | |
| C11 | C15 | sing | 1.53Å | 1.37Å | |
| C11 | C12 | sing | 1.55Å | 1.73Å | |
| C15 | C16 | sing | 1.55Å | 1.64Å | |
| C13 | C14 | sing | 1.54Å | 1.64Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.67Å | |
| C17 | C12 | sing | 1.52Å | 1.37Å | |
| C17 | O2 | sing | 1.43Å | 1.43Å | |
| C12 | C18 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C2 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C9 | H51 | sing | 1.09Å | 1.10Å | |
| O1 | H52 | sing | 0.97Å | 0.95Å | |
| O2 | H53 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 111.3° | 109.4° |
| C33 | C32 | H46 | 109.0° | 109.5° |
| C33 | C32 | H47 | 109.0° | 109.5° |
| C32 | C33 | H48 | 109.5° | 109.5° |
| C32 | C33 | H49 | 109.5° | 109.4° |
| C32 | C33 | H50 | 109.5° | 109.5° |
| C32 | C31 | N1 | 112.0° | 109.5° |
| C32 | C31 | H44 | 108.8° | 109.5° |
| C32 | C31 | H45 | 108.8° | 109.5° |
| C31 | C32 | H46 | 109.0° | 109.5° |
| C31 | C32 | H47 | 109.0° | 109.5° |
| C31 | N1 | C30 | 120.2° | 120.0° |
| C31 | N1 | C29 | 119.1° | 120.0° |
| N1 | C31 | H44 | 108.8° | 109.5° |
| N1 | C31 | H45 | 108.8° | 109.5° |
| C30 | N1 | C29 | 120.6° | 120.0° |
| N1 | C30 | H41 | 109.5° | 109.5° |
| N1 | C30 | H42 | 109.5° | 109.4° |
| N1 | C30 | H43 | 109.5° | 109.5° |
| N1 | C29 | C28 | 117.4° | 120.0° |
| N1 | C29 | O3 | 122.0° | 120.0° |
| C28 | C29 | O3 | 120.6° | 120.0° |
| C29 | C28 | C27 | 116.5° | 109.4° |
| C29 | C28 | H21 | 107.7° | 109.5° |
| C29 | C28 | H22 | 107.7° | 109.5° |
| C28 | C27 | C26 | 108.7° | 109.4° |
| C27 | C28 | H21 | 107.7° | 109.5° |
| C27 | C28 | H22 | 107.7° | 109.4° |
| C28 | C27 | H39 | 109.7° | 109.5° |
| C28 | C27 | H40 | 109.7° | 109.5° |
| C27 | C26 | C25 | 112.0° | 109.5° |
| C27 | C26 | H19 | 108.9° | 109.5° |
| C27 | C26 | H20 | 108.8° | 109.5° |
| C26 | C27 | H39 | 109.7° | 109.4° |
| C26 | C27 | H40 | 109.6° | 109.5° |
| C26 | C25 | C24 | 109.8° | 109.5° |
| C25 | C26 | H19 | 108.8° | 109.4° |
| C25 | C26 | H20 | 108.9° | 109.5° |
| C26 | C25 | H37 | 109.4° | 109.5° |
| C26 | C25 | H38 | 109.4° | 109.4° |
| C25 | C24 | C23 | 113.0° | 109.5° |
| C25 | C24 | H17 | 108.6° | 109.5° |
| C25 | C24 | H18 | 108.6° | 109.4° |
| C24 | C25 | H37 | 109.4° | 109.5° |
| C24 | C25 | H38 | 109.4° | 109.5° |
| C24 | C23 | C22 | 109.4° | 109.5° |
| C23 | C24 | H17 | 108.6° | 109.5° |
| C23 | C24 | H18 | 108.6° | 109.5° |
| C24 | C23 | H35 | 109.5° | 109.5° |
| C24 | C23 | H36 | 109.5° | 109.5° |
| C23 | C22 | C21 | 109.0° | 109.5° |
| C23 | C22 | H15 | 109.6° | 109.4° |
| C23 | C22 | H16 | 109.6° | 109.5° |
| C22 | C23 | H35 | 109.5° | 109.4° |
| C22 | C23 | H36 | 109.5° | 109.5° |
| C22 | C21 | C20 | 114.6° | 109.5° |
| C22 | C21 | H13 | 108.2° | 109.4° |
| C22 | C21 | H14 | 108.2° | 109.5° |
| C21 | C22 | H15 | 109.6° | 109.4° |
| C21 | C22 | H16 | 109.6° | 109.5° |
| C21 | C20 | C19 | 113.1° | 109.5° |
| C21 | C20 | H11 | 108.5° | 109.5° |
| C21 | C20 | H12 | 108.6° | 109.4° |
| C20 | C21 | H13 | 108.2° | 109.5° |
| C20 | C21 | H14 | 108.2° | 109.5° |
| C20 | C19 | C8 | 109.9° | 109.5° |
| C19 | C20 | H11 | 108.5° | 109.5° |
| C19 | C20 | H12 | 108.5° | 109.5° |
| C20 | C19 | H32 | 109.4° | 109.5° |
| C20 | C19 | H33 | 109.4° | 109.4° |
| C19 | C8 | C7 | 104.5° | 109.7° |
| C19 | C8 | C9 | 114.9° | 109.7° |
| C19 | C8 | H4 | 109.1° | 109.7° |
| C8 | C19 | H32 | 109.4° | 109.5° |
| C8 | C19 | H33 | 109.3° | 109.5° |
| C7 | C8 | C9 | 109.1° | 108.2° |
| C8 | C7 | C5 | 113.3° | 111.3° |
| C8 | C7 | H2 | 108.5° | 109.2° |
| C8 | C7 | H3 | 108.5° | 109.0° |
| C7 | C8 | H4 | 109.1° | 109.7° |
| C8 | C9 | C10 | 109.9° | 108.0° |
| C8 | C9 | C11 | 107.8° | 111.8° |
| C9 | C8 | H4 | 109.9° | 109.7° |
| C8 | C9 | H51 | 109.6° | 109.7° |
| O1 | C3 | C4 | 123.2° | 120.1° |
| O1 | C3 | C2 | 114.8° | 120.1° |
| C3 | O1 | H52 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.0° | 120.6° |
| C4 | C3 | C2 | 122.0° | 119.7° |
| C3 | C4 | H1 | 120.0° | 119.7° |
| C4 | C5 | C7 | 118.1° | 117.6° |
| C4 | C5 | C6 | 120.7° | 119.6° |
| C5 | C4 | H1 | 120.0° | 119.7° |
| C3 | C2 | C1 | 115.9° | 119.7° |
| C3 | C2 | H34 | 122.1° | 120.2° |
| C7 | C5 | C6 | 121.1° | 122.8° |
| C5 | C7 | H2 | 108.5° | 109.1° |
| C5 | C7 | H3 | 108.5° | 109.1° |
| C5 | C6 | C1 | 117.8° | 119.8° |
| C5 | C6 | C10 | 117.8° | 121.9° |
| C2 | C1 | C6 | 123.6° | 120.6° |
| C2 | C1 | H23 | 118.2° | 119.7° |
| C1 | C2 | H34 | 122.1° | 120.2° |
| C1 | C6 | C10 | 124.4° | 118.2° |
| C6 | C1 | H23 | 118.2° | 119.7° |
| C6 | C10 | C9 | 116.1° | 110.2° |
| C6 | C10 | C14 | 111.2° | 112.0° |
| C6 | C10 | H5 | 106.7° | 107.8° |
| C9 | C10 | C14 | 112.4° | 111.5° |
| C10 | C9 | C11 | 112.2° | 106.9° |
| C9 | C10 | H5 | 105.2° | 107.9° |
| C10 | C9 | H51 | 108.5° | 109.8° |
| C10 | C14 | C13 | 109.4° | 110.6° |
| C14 | C10 | H5 | 104.2° | 107.3° |
| C10 | C14 | H25 | 109.5° | 109.2° |
| C10 | C14 | H26 | 109.5° | 109.2° |
| C9 | C11 | C15 | 120.1° | 116.1° |
| C9 | C11 | C12 | 112.3° | 106.4° |
| C9 | C11 | H24 | 105.7° | 110.4° |
| C11 | C9 | H51 | 108.9° | 110.6° |
| C15 | C11 | C12 | 105.5° | 101.6° |
| C11 | C15 | C16 | 106.1° | 102.9° |
| C11 | C15 | H8 | 110.3° | 110.7° |
| C11 | C15 | H9 | 110.3° | 110.9° |
| C15 | C11 | H24 | 107.9° | 110.5° |
| C11 | C12 | C13 | 110.9° | 108.0° |
| C11 | C12 | C17 | 98.8° | 103.3° |
| C11 | C12 | C18 | 106.9° | 109.0° |
| C12 | C11 | H24 | 104.1° | 111.4° |
| C15 | C16 | C17 | 100.5° | 106.4° |
| C16 | C15 | H8 | 110.3° | 110.7° |
| C16 | C15 | H9 | 110.3° | 110.7° |
| C15 | C16 | H27 | 111.7° | 110.1° |
| C15 | C16 | H28 | 111.7° | 110.1° |
| C14 | C13 | C12 | 114.3° | 107.7° |
| C14 | C13 | H6 | 108.3° | 109.8° |
| C14 | C13 | H7 | 108.3° | 109.8° |
| C13 | C14 | H25 | 109.5° | 109.3° |
| C13 | C14 | H26 | 109.5° | 109.3° |
| C13 | C12 | C17 | 119.7° | 116.9° |
| C13 | C12 | C18 | 107.3° | 109.6° |
| C12 | C13 | H6 | 108.2° | 109.8° |
| C12 | C13 | H7 | 108.3° | 109.8° |
| C16 | C17 | C12 | 108.9° | 105.3° |
| C16 | C17 | O2 | 105.8° | 110.3° |
| C16 | C17 | H10 | 106.3° | 110.4° |
| C17 | C16 | H27 | 111.6° | 110.1° |
| C17 | C16 | H28 | 111.7° | 110.1° |
| C12 | C17 | O2 | 116.3° | 110.2° |
| C17 | C12 | C18 | 112.4° | 109.6° |
| C12 | C17 | H10 | 110.0° | 110.2° |
| O2 | C17 | H10 | 109.1° | 110.3° |
| C17 | O2 | H53 | 109.5° | 114.0° |
| C12 | C18 | H29 | 109.5° | 109.5° |
| C12 | C18 | H30 | 109.5° | 109.5° |
| C12 | C18 | H31 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.1° |
| H6 | C13 | H7 | 109.5° | 109.9° |
| H8 | C15 | H9 | 109.5° | 110.7° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.2° |
| H27 | C16 | H28 | 109.5° | 110.1° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| H29 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.4° |
| H35 | C23 | H36 | 109.5° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.4° | 109.5° |
| H41 | C30 | H43 | 109.5° | 109.5° |
| H42 | C30 | H43 | 109.5° | 109.5° |
| H44 | C31 | H45 | 109.5° | 109.4° |
| H46 | C32 | H47 | 109.4° | 109.5° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| H48 | C33 | H50 | 109.5° | 109.5° |
| H49 | C33 | H50 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H46 | 120.3° | 120.0° |
| C33 | C32 | C31 | H47 | 120.3° | 120.0° |
| C33 | C32 | C31 | N1 | 144.1° | 180.0° |
| C33 | C32 | C31 | H44 | 23.7° | 60.0° |
| C33 | C32 | C31 | H45 | 95.6° | 60.0° |
| C33 | C32 | H46 | H47 | 119.2° | 120.0° |
| C32 | C33 | H48 | H49 | 120.0° | 120.0° |
| C32 | C33 | H48 | H50 | 120.0° | 120.1° |
| C32 | C33 | H49 | H50 | 120.0° | 119.9° |
| C32 | C31 | N1 | H44 | 120.4° | 120.0° |
| C32 | C31 | N1 | H45 | 120.4° | 120.0° |
| C32 | C31 | N1 | C30 | 51.6° | 90.3° |
| C32 | C31 | N1 | C29 | 128.9° | 90.0° |
| C32 | C31 | H44 | H45 | 118.8° | 120.0° |
| C31 | C32 | H46 | H47 | 119.1° | 120.0° |
| C31 | C32 | C33 | H48 | 180.0° | 60.0° |
| C31 | C32 | C33 | H49 | 60.0° | 180.0° |
| C31 | C32 | C33 | H50 | 60.0° | 60.1° |
| C31 | N1 | C30 | C29 | 179.4° | 179.7° |
| C31 | N1 | C29 | C28 | 0.7° | 179.7° |
| C31 | N1 | C29 | O3 | 179.8° | 0.2° |
| C31 | N1 | C30 | H41 | 180.0° | 89.7° |
| C31 | N1 | C30 | H42 | 60.0° | 30.3° |
| C31 | N1 | C30 | H43 | 60.0° | 150.3° |
| N1 | C31 | H44 | H45 | 118.8° | 120.0° |
| N1 | C31 | C32 | H46 | 95.6° | 60.0° |
| N1 | C31 | C32 | H47 | 23.8° | 60.0° |
| C30 | N1 | C29 | C28 | 179.8° | 0.0° |
| C30 | N1 | C29 | O3 | 0.4° | 180.0° |
| N1 | C30 | H41 | H42 | 120.0° | 119.9° |
| N1 | C30 | H41 | H43 | 120.0° | 120.0° |
| N1 | C30 | H42 | H43 | 120.0° | 120.0° |
| C30 | N1 | C31 | H44 | 68.7° | 29.7° |
| C30 | N1 | C31 | H45 | 172.0° | 149.7° |
| N1 | C29 | C28 | O3 | 179.5° | 180.0° |
| N1 | C29 | C28 | C27 | 154.2° | 180.0° |
| N1 | C29 | C28 | H21 | 33.2° | 60.0° |
| N1 | C29 | C28 | H22 | 84.7° | 60.1° |
| C29 | N1 | C30 | H41 | 0.6° | 90.0° |
| C29 | N1 | C30 | H42 | 120.5° | 150.0° |
| C29 | N1 | C30 | H43 | 119.5° | 30.0° |
| C29 | N1 | C31 | H44 | 110.7° | 150.0° |
| C29 | N1 | C31 | H45 | 8.6° | 30.0° |
| C29 | C28 | C27 | H21 | 121.0° | 120.0° |
| C29 | C28 | C27 | H22 | 121.0° | 120.0° |
| C29 | C28 | C27 | C26 | 119.1° | 180.0° |
| C29 | C28 | H21 | H22 | 116.8° | 120.1° |
| C29 | C28 | C27 | H39 | 121.0° | 60.0° |
| C29 | C28 | C27 | H40 | 0.8° | 60.1° |
| O3 | C29 | C28 | C27 | 26.3° | 0.0° |
| O3 | C29 | C28 | H21 | 147.3° | 120.0° |
| O3 | C29 | C28 | H22 | 94.7° | 119.9° |
| C28 | C27 | C26 | H39 | 119.9° | 120.0° |
| C28 | C27 | C26 | H40 | 119.9° | 120.0° |
| C28 | C27 | C26 | C25 | 148.9° | 180.0° |
| C28 | C27 | C26 | H19 | 90.8° | 60.0° |
| C28 | C27 | C26 | H20 | 28.5° | 60.0° |
| C27 | C28 | H21 | H22 | 116.8° | 120.0° |
| C28 | C27 | H39 | H40 | 120.4° | 120.1° |
| C27 | C26 | C25 | H19 | 120.4° | 120.0° |
| C27 | C26 | C25 | H20 | 120.4° | 120.0° |
| C27 | C26 | C25 | C24 | 100.2° | 180.0° |
| C27 | C26 | H19 | H20 | 118.8° | 120.0° |
| C26 | C27 | C28 | H21 | 1.9° | 60.0° |
| C26 | C27 | C28 | H22 | 119.9° | 60.0° |
| C27 | C26 | C25 | H37 | 139.7° | 60.0° |
| C27 | C26 | C25 | H38 | 19.8° | 60.0° |
| C26 | C27 | H39 | H40 | 120.3° | 120.0° |
| C26 | C25 | C24 | H37 | 120.1° | 120.0° |
| C26 | C25 | C24 | H38 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 149.7° | 180.0° |
| C26 | C25 | C24 | H17 | 89.8° | 59.9° |
| C26 | C25 | C24 | H18 | 29.2° | 60.0° |
| C25 | C26 | H19 | H20 | 118.9° | 120.0° |
| C26 | C25 | H37 | H38 | 119.8° | 119.9° |
| C25 | C26 | C27 | H39 | 29.0° | 60.0° |
| C25 | C26 | C27 | H40 | 91.2° | 60.0° |
| C25 | C24 | C23 | H17 | 120.5° | 120.0° |
| C25 | C24 | C23 | H18 | 120.5° | 119.9° |
| C25 | C24 | C23 | C22 | 155.8° | 180.0° |
| C25 | C24 | H17 | H18 | 118.4° | 119.9° |
| C24 | C25 | C26 | H19 | 20.2° | 60.0° |
| C24 | C25 | C26 | H20 | 139.4° | 60.0° |
| C25 | C24 | C23 | H35 | 84.2° | 60.0° |
| C25 | C24 | C23 | H36 | 35.8° | 60.0° |
| C24 | C25 | H37 | H38 | 119.8° | 120.0° |
| C24 | C23 | C22 | H35 | 120.0° | 120.0° |
| C24 | C23 | C22 | H36 | 120.0° | 120.0° |
| C24 | C23 | C22 | C21 | 178.4° | 180.0° |
| C24 | C23 | C22 | H15 | 58.4° | 60.0° |
| C24 | C23 | C22 | H16 | 61.7° | 60.0° |
| C23 | C24 | H17 | H18 | 118.4° | 120.0° |
| C24 | C23 | H35 | H36 | 120.0° | 120.0° |
| C23 | C24 | C25 | H37 | 29.6° | 60.0° |
| C23 | C24 | C25 | H38 | 90.3° | 60.0° |
| C23 | C22 | C21 | H15 | 119.9° | 120.0° |
| C23 | C22 | C21 | H16 | 119.9° | 120.0° |
| C23 | C22 | C21 | C20 | 171.4° | 180.0° |
| C23 | C22 | C21 | H13 | 67.9° | 60.0° |
| C23 | C22 | C21 | H14 | 50.6° | 60.0° |
| C23 | C22 | H15 | H16 | 120.2° | 120.0° |
| C22 | C23 | C24 | H17 | 35.3° | 60.0° |
| C22 | C23 | C24 | H18 | 83.7° | 60.0° |
| C22 | C23 | H35 | H36 | 120.0° | 120.0° |
| C22 | C21 | C20 | H13 | 120.7° | 119.9° |
| C22 | C21 | C20 | H14 | 120.7° | 120.1° |
| C22 | C21 | C20 | C19 | 174.9° | 180.0° |
| C22 | C21 | C20 | H11 | 54.4° | 59.9° |
| C22 | C21 | C20 | H12 | 64.6° | 60.0° |
| C22 | C21 | H13 | H14 | 117.7° | 120.0° |
| C21 | C22 | H15 | H16 | 120.2° | 120.0° |
| C21 | C22 | C23 | H35 | 61.7° | 60.0° |
| C21 | C22 | C23 | H36 | 58.4° | 59.9° |
| C21 | C20 | C19 | H11 | 120.5° | 120.0° |
| C21 | C20 | C19 | H12 | 120.5° | 120.0° |
| C21 | C20 | C19 | C8 | 179.3° | 180.0° |
| C21 | C20 | H11 | H12 | 118.4° | 119.9° |
| C20 | C21 | H13 | H14 | 117.7° | 120.0° |
| C20 | C21 | C22 | H15 | 51.5° | 60.0° |
| C20 | C21 | C22 | H16 | 68.7° | 60.0° |
| C21 | C20 | C19 | H32 | 60.6° | 60.0° |
| C21 | C20 | C19 | H33 | 59.3° | 60.0° |
| C20 | C19 | C8 | H32 | 120.1° | 120.0° |
| C20 | C19 | C8 | H33 | 120.0° | 120.0° |
| C20 | C19 | C8 | C7 | 85.6° | 65.0° |
| C20 | C19 | C8 | C9 | 154.8° | 176.2° |
| C20 | C19 | C8 | H4 | 31.0° | 55.6° |
| C19 | C20 | H11 | H12 | 118.3° | 120.0° |
| C19 | C20 | C21 | H13 | 64.4° | 60.0° |
| C19 | C20 | C21 | H14 | 54.2° | 60.0° |
| C20 | C19 | H32 | H33 | 119.8° | 119.9° |
| C19 | C8 | C7 | C9 | 123.4° | 119.7° |
| C19 | C8 | C7 | H4 | 116.6° | 120.6° |
| C19 | C8 | C9 | H4 | 123.5° | 120.6° |
| C19 | C8 | C7 | C5 | 80.6° | 70.6° |
| C19 | C8 | C9 | C10 | 52.3° | 49.8° |
| C19 | C8 | C9 | C11 | 70.2° | 67.5° |
| C19 | C8 | C7 | H2 | 39.9° | 168.9° |
| C19 | C8 | C7 | H3 | 158.9° | 49.8° |
| C8 | C19 | C20 | H11 | 58.8° | 60.0° |
| C8 | C19 | C20 | H12 | 60.2° | 60.0° |
| C8 | C19 | H32 | H33 | 119.8° | 120.1° |
| C19 | C8 | C9 | H51 | 171.4° | 169.4° |
| C7 | C8 | C9 | H4 | 119.6° | 119.7° |
| C8 | C7 | C5 | C4 | 165.7° | 164.4° |
| C8 | C7 | C5 | H2 | 120.6° | 120.5° |
| C8 | C7 | C5 | H3 | 120.6° | 120.4° |
| C8 | C7 | C5 | C6 | 10.9° | 16.2° |
| C7 | C8 | C9 | C10 | 64.7° | 69.9° |
| C7 | C8 | C9 | C11 | 172.8° | 172.8° |
| C8 | C7 | H2 | H3 | 118.3° | 119.1° |
| C7 | C8 | C19 | H32 | 154.3° | 55.0° |
| C7 | C8 | C19 | H33 | 34.4° | 175.0° |
| C7 | C8 | C9 | H51 | 54.4° | 49.7° |
| C9 | C8 | C7 | C5 | 42.8° | 49.1° |
| C8 | C9 | C10 | C6 | 56.4° | 54.3° |
| C8 | C9 | C10 | C11 | 119.9° | 120.4° |
| C8 | C9 | C10 | H51 | 119.8° | 119.6° |
| C8 | C9 | C10 | C14 | 174.1° | 179.3° |
| C8 | C9 | C11 | H51 | 118.9° | 122.6° |
| C8 | C9 | C11 | C15 | 60.2° | 64.7° |
| C8 | C9 | C11 | C12 | 174.8° | 176.9° |
| C9 | C8 | C7 | H2 | 163.3° | 71.4° |
| C9 | C8 | C7 | H3 | 77.8° | 169.5° |
| C8 | C9 | C10 | H5 | 61.3° | 63.2° |
| C8 | C9 | C11 | H24 | 61.9° | 62.1° |
| C9 | C8 | C19 | H32 | 34.8° | 63.8° |
| C9 | C8 | C19 | H33 | 85.1° | 56.2° |
| O1 | C3 | C4 | C2 | 179.6° | 180.0° |
| O1 | C3 | C4 | C5 | 178.3° | 179.9° |
| O1 | C3 | C2 | C1 | 179.6° | 179.7° |
| O1 | C3 | C4 | H1 | 1.7° | 0.2° |
| O1 | C3 | C2 | H34 | 0.4° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C7 | 179.0° | 178.9° |
| C3 | C4 | C5 | C6 | 4.4° | 0.5° |
| C4 | C3 | C2 | C1 | 0.1° | 0.2° |
| C4 | C3 | C2 | H34 | 179.9° | 179.7° |
| C4 | C3 | O1 | H52 | 180.0° | 90.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.0° |
| C4 | C5 | C7 | C6 | 176.6° | 179.4° |
| C4 | C5 | C6 | C1 | 4.5° | 0.8° |
| C4 | C5 | C6 | C10 | 175.7° | 178.4° |
| C4 | C5 | C7 | H2 | 45.2° | 75.1° |
| C4 | C5 | C7 | H3 | 73.7° | 44.0° |
| C3 | C2 | C1 | H34 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H1 | 177.9° | 179.8° |
| C3 | C2 | C1 | H23 | 179.8° | 179.9° |
| C2 | C3 | O1 | H52 | 0.3° | 90.1° |
| C7 | C5 | C6 | C1 | 178.9° | 178.6° |
| C7 | C5 | C6 | C10 | 0.8° | 2.2° |
| C7 | C5 | C4 | H1 | 1.0° | 1.3° |
| C5 | C7 | H2 | H3 | 118.3° | 119.2° |
| C5 | C7 | C8 | H4 | 162.8° | 168.7° |
| C5 | C6 | C1 | C2 | 2.4° | 0.6° |
| C5 | C6 | C1 | C10 | 179.7° | 179.3° |
| C5 | C6 | C10 | C9 | 22.5° | 21.4° |
| C5 | C6 | C10 | C14 | 152.5° | 146.1° |
| C6 | C5 | C4 | H1 | 175.6° | 179.3° |
| C6 | C5 | C7 | H2 | 131.4° | 104.3° |
| C6 | C5 | C7 | H3 | 109.7° | 136.6° |
| C5 | C6 | C10 | H5 | 94.4° | 96.1° |
| C5 | C6 | C1 | H23 | 177.6° | 179.4° |
| C2 | C1 | C6 | H23 | 180.0° | 180.0° |
| C2 | C1 | C6 | C10 | 177.9° | 178.7° |
| C1 | C6 | C10 | C9 | 157.2° | 159.3° |
| C1 | C6 | C10 | C14 | 27.1° | 34.6° |
| C1 | C6 | C10 | H5 | 85.9° | 83.2° |
| C6 | C1 | C2 | H34 | 179.8° | 180.0° |
| C6 | C10 | C9 | C14 | 129.5° | 125.0° |
| C6 | C10 | C9 | H5 | 117.7° | 117.5° |
| C6 | C10 | C14 | H5 | 114.6° | 118.1° |
| C6 | C10 | C9 | C11 | 176.3° | 174.7° |
| C6 | C10 | C14 | C13 | 176.4° | 179.9° |
| C10 | C6 | C1 | H23 | 2.1° | 1.3° |
| C6 | C10 | C14 | H25 | 56.4° | 59.5° |
| C6 | C10 | C14 | H26 | 63.6° | 59.8° |
| C6 | C10 | C9 | H51 | 63.4° | 65.3° |
| C9 | C10 | C14 | H5 | 113.4° | 117.9° |
| C10 | C9 | C11 | H51 | 120.0° | 119.5° |
| C10 | C9 | C11 | C15 | 178.7° | 177.4° |
| C10 | C9 | C11 | C12 | 53.8° | 65.2° |
| C9 | C10 | C14 | C13 | 51.6° | 56.2° |
| C10 | C9 | C8 | H4 | 175.7° | 170.4° |
| C10 | C9 | C11 | H24 | 59.2° | 55.8° |
| C9 | C10 | C14 | H25 | 171.6° | 176.5° |
| C9 | C10 | C14 | H26 | 68.4° | 64.2° |
| C14 | C10 | C9 | C11 | 54.2° | 60.3° |
| C10 | C14 | C13 | H25 | 120.0° | 120.3° |
| C10 | C14 | C13 | H26 | 120.0° | 120.3° |
| C10 | C14 | C13 | C12 | 53.6° | 57.0° |
| C10 | C14 | C13 | H6 | 67.1° | 176.5° |
| C10 | C14 | C13 | H7 | 174.3° | 62.5° |
| C10 | C14 | H25 | H26 | 120.0° | 119.4° |
| C14 | C10 | C9 | H51 | 66.1° | 59.7° |
| C9 | C11 | C15 | C12 | 128.1° | 115.0° |
| C9 | C11 | C15 | H24 | 121.1° | 126.7° |
| C9 | C11 | C12 | H24 | 113.9° | 120.4° |
| C9 | C11 | C15 | C16 | 162.0° | 156.6° |
| C9 | C11 | C12 | C13 | 54.0° | 69.2° |
| C9 | C11 | C12 | C17 | 179.4° | 166.4° |
| C9 | C11 | C12 | C18 | 62.7° | 49.8° |
| C11 | C9 | C8 | H4 | 53.2° | 53.1° |
| C11 | C9 | C10 | H5 | 58.6° | 57.2° |
| C9 | C11 | C15 | H8 | 42.5° | 38.3° |
| C9 | C11 | C15 | H9 | 78.6° | 84.9° |
| C15 | C11 | C12 | H24 | 113.5° | 117.7° |
| C11 | C15 | C16 | H8 | 119.5° | 118.3° |
| C11 | C15 | C16 | H9 | 119.5° | 118.5° |
| C15 | C11 | C12 | C13 | 173.4° | 168.9° |
| C11 | C15 | C16 | C17 | 12.7° | 24.1° |
| C15 | C11 | C12 | C17 | 46.8° | 44.5° |
| C15 | C11 | C12 | C18 | 70.0° | 72.1° |
| C11 | C15 | H8 | H9 | 121.6° | 123.4° |
| C11 | C15 | C16 | H27 | 131.2° | 143.3° |
| C11 | C15 | C16 | H28 | 105.8° | 95.2° |
| C15 | C11 | C9 | H51 | 58.7° | 57.9° |
| C12 | C11 | C15 | C16 | 33.9° | 41.7° |
| C11 | C12 | C13 | C14 | 53.9° | 63.5° |
| C11 | C12 | C13 | C17 | 114.0° | 115.8° |
| C11 | C12 | C13 | C18 | 116.4° | 118.7° |
| C11 | C12 | C17 | C16 | 36.5° | 29.3° |
| C11 | C12 | C17 | C18 | 112.5° | 116.1° |
| C11 | C12 | C17 | O2 | 155.8° | 148.2° |
| C11 | C12 | C13 | H6 | 66.8° | 176.9° |
| C11 | C12 | C13 | H7 | 174.7° | 56.1° |
| C12 | C11 | C15 | H8 | 85.6° | 76.6° |
| C12 | C11 | C15 | H9 | 153.3° | 160.1° |
| C11 | C12 | C17 | H10 | 79.7° | 89.8° |
| C11 | C12 | C18 | H29 | 180.0° | 63.8° |
| C11 | C12 | C18 | H30 | 60.0° | 56.2° |
| C11 | C12 | C18 | H31 | 60.0° | 176.2° |
| C12 | C11 | C9 | H51 | 66.3° | 54.2° |
| C15 | C16 | C17 | H27 | 118.5° | 119.2° |
| C15 | C16 | C17 | H28 | 118.6° | 119.3° |
| C15 | C16 | C17 | C12 | 19.6° | 3.4° |
| C15 | C16 | C17 | O2 | 145.2° | 122.3° |
| C16 | C15 | H8 | H9 | 121.6° | 123.1° |
| C15 | C16 | C17 | H10 | 98.9° | 115.6° |
| C16 | C15 | C11 | H24 | 77.0° | 76.6° |
| C15 | C16 | H27 | H28 | 124.2° | 121.5° |
| C14 | C13 | C12 | H6 | 120.7° | 119.6° |
| C14 | C13 | C12 | H7 | 120.7° | 119.6° |
| C14 | C13 | C12 | C17 | 168.0° | 179.3° |
| C14 | C13 | C12 | C18 | 62.5° | 55.2° |
| C13 | C14 | C10 | H5 | 61.8° | 61.7° |
| C14 | C13 | H6 | H7 | 117.8° | 120.9° |
| C13 | C14 | H25 | H26 | 120.0° | 119.5° |
| C13 | C12 | C17 | C16 | 156.8° | 147.7° |
| C13 | C12 | C17 | C18 | 127.2° | 125.5° |
| C13 | C12 | C17 | O2 | 83.9° | 93.3° |
| C12 | C13 | H6 | H7 | 117.8° | 120.8° |
| C13 | C12 | C17 | H10 | 40.6° | 28.6° |
| C13 | C12 | C11 | H24 | 59.9° | 51.2° |
| C12 | C13 | C14 | H25 | 173.6° | 177.3° |
| C12 | C13 | C14 | H26 | 66.4° | 63.3° |
| C13 | C12 | C18 | H29 | 61.0° | 54.2° |
| C13 | C12 | C18 | H30 | 59.0° | 174.3° |
| C13 | C12 | C18 | H31 | 179.0° | 65.7° |
| C16 | C17 | C12 | O2 | 119.3° | 119.0° |
| C16 | C17 | C12 | H10 | 116.2° | 119.1° |
| C16 | C17 | O2 | H10 | 114.0° | 122.2° |
| C16 | C17 | C12 | C18 | 76.0° | 86.8° |
| C17 | C16 | C15 | H8 | 106.8° | 94.3° |
| C17 | C16 | C15 | H9 | 132.1° | 142.6° |
| C17 | C16 | H27 | H28 | 124.2° | 121.5° |
| C16 | C17 | O2 | H53 | 180.0° | 64.1° |
| C12 | C17 | O2 | H10 | 125.0° | 121.9° |
| C17 | C12 | C13 | H6 | 47.3° | 61.1° |
| C17 | C12 | C13 | H7 | 71.3° | 59.8° |
| C17 | C12 | C11 | H24 | 66.7° | 73.2° |
| C12 | C17 | C16 | H27 | 99.0° | 115.8° |
| C12 | C17 | C16 | H28 | 138.1° | 122.7° |
| C17 | C12 | C18 | H29 | 72.6° | 176.2° |
| C17 | C12 | C18 | H30 | 167.4° | 56.2° |
| C17 | C12 | C18 | H31 | 47.4° | 63.8° |
| C12 | C17 | O2 | H53 | 59.0° | 180.0° |
| O2 | C17 | C12 | C18 | 43.3° | 32.1° |
| O2 | C17 | C16 | H27 | 26.7° | 3.1° |
| O2 | C17 | C16 | H28 | 96.2° | 118.4° |
| C18 | C12 | C13 | H6 | 176.8° | 64.4° |
| C18 | C12 | C13 | H7 | 58.2° | 174.7° |
| C18 | C12 | C17 | H10 | 167.8° | 154.1° |
| C18 | C12 | C11 | H24 | 176.6° | 170.3° |
| C12 | C18 | H29 | H30 | 120.0° | 120.0° |
| C12 | C18 | H29 | H31 | 120.0° | 120.0° |
| C12 | C18 | H30 | H31 | 120.0° | 120.0° |
| H2 | C7 | C8 | H4 | 76.6° | 48.3° |
| H3 | C7 | C8 | H4 | 42.3° | 70.8° |
| H4 | C8 | C19 | H32 | 89.1° | 175.6° |
| H4 | C8 | C19 | H33 | 151.0° | 64.4° |
| H4 | C8 | C9 | H51 | 65.2° | 70.0° |
| H5 | C10 | C14 | H25 | 58.2° | 58.6° |
| H5 | C10 | C14 | H26 | 178.2° | 178.0° |
| H5 | C10 | C9 | H51 | 178.9° | 177.2° |
| H6 | C13 | C14 | H25 | 52.9° | 63.2° |
| H6 | C13 | C14 | H26 | 172.9° | 56.2° |
| H7 | C13 | C14 | H25 | 65.7° | 57.8° |
| H7 | C13 | C14 | H26 | 54.3° | 177.2° |
| H8 | C15 | C11 | H24 | 163.5° | 165.1° |
| H8 | C15 | C16 | H27 | 11.7° | 25.0° |
| H8 | C15 | C16 | H28 | 134.7° | 146.5° |
| H9 | C15 | C11 | H24 | 42.5° | 41.8° |
| H9 | C15 | C16 | H27 | 109.4° | 98.1° |
| H9 | C15 | C16 | H28 | 13.6° | 23.4° |
| H10 | C17 | C16 | H27 | 142.6° | 125.2° |
| H10 | C17 | C16 | H28 | 19.7° | 3.7° |
| H10 | C17 | O2 | H53 | 66.0° | 58.1° |
| H11 | C20 | C21 | H13 | 175.1° | 60.0° |
| H11 | C20 | C21 | H14 | 66.4° | 180.0° |
| H11 | C20 | C19 | H32 | 178.8° | 60.0° |
| H11 | C20 | C19 | H33 | 61.2° | 180.0° |
| H12 | C20 | C21 | H13 | 56.2° | 180.0° |
| H12 | C20 | C21 | H14 | 174.7° | 60.0° |
| H12 | C20 | C19 | H32 | 59.9° | 179.9° |
| H12 | C20 | C19 | H33 | 179.8° | 60.0° |
| H13 | C21 | C22 | H15 | 172.2° | 180.0° |
| H13 | C21 | C22 | H16 | 52.1° | 60.0° |
| H14 | C21 | C22 | H15 | 69.3° | 60.0° |
| H14 | C21 | C22 | H16 | 170.6° | 180.0° |
| H15 | C22 | C23 | H35 | 178.4° | 179.9° |
| H15 | C22 | C23 | H36 | 61.5° | 60.0° |
| H16 | C22 | C23 | H35 | 58.3° | 60.1° |
| H16 | C22 | C23 | H36 | 178.3° | 180.0° |
| H17 | C24 | C23 | H35 | 155.3° | 180.0° |
| H17 | C24 | C23 | H36 | 84.7° | 60.0° |
| H17 | C24 | C25 | H37 | 150.1° | 180.0° |
| H17 | C24 | C25 | H38 | 30.3° | 60.0° |
| H18 | C24 | C23 | H35 | 36.3° | 60.0° |
| H18 | C24 | C23 | H36 | 156.4° | 180.0° |
| H18 | C24 | C25 | H37 | 90.9° | 60.0° |
| H18 | C24 | C25 | H38 | 149.2° | 180.0° |
| H19 | C26 | C25 | H37 | 99.9° | 180.0° |
| H19 | C26 | C25 | H38 | 140.2° | 60.0° |
| H19 | C26 | C27 | H39 | 149.3° | 180.0° |
| H19 | C26 | C27 | H40 | 29.1° | 60.0° |
| H20 | C26 | C25 | H37 | 19.3° | 60.0° |
| H20 | C26 | C25 | H38 | 100.6° | 180.0° |
| H20 | C26 | C27 | H39 | 91.4° | 60.0° |
| H20 | C26 | C27 | H40 | 148.4° | 180.0° |
| H21 | C28 | C27 | H39 | 118.0° | 179.9° |
| H21 | C28 | C27 | H40 | 121.8° | 60.0° |
| H22 | C28 | C27 | H39 | 0.0° | 59.9° |
| H22 | C28 | C27 | H40 | 120.2° | 180.0° |
| H23 | C1 | C2 | H34 | 0.2° | 0.0° |
| H24 | C11 | C9 | H51 | 179.2° | 175.3° |
| H29 | C18 | H30 | H31 | 120.0° | 120.0° |
| H41 | C30 | H42 | H43 | 120.0° | 120.0° |
| H44 | C31 | C32 | H46 | 144.0° | 180.0° |
| H44 | C31 | C32 | H47 | 96.6° | 60.0° |
| H45 | C31 | C32 | H46 | 24.7° | 60.0° |
| H45 | C31 | C32 | H47 | 144.1° | 180.0° |
| H46 | C32 | C33 | H48 | 59.7° | 59.9° |
| H46 | C32 | C33 | H49 | 60.3° | 60.1° |
| H46 | C32 | C33 | H50 | 179.7° | 180.0° |
| H47 | C32 | C33 | H48 | 59.7° | 180.0° |
| H47 | C32 | C33 | H49 | 179.8° | 60.0° |
| H47 | C32 | C33 | H50 | 60.3° | 59.9° |
| H48 | C33 | H49 | H50 | 120.0° | 120.0° |
