3AJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C35 | C34 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.52Å | 1.49Å | |
| C1 | C6 | sing | 1.51Å | 1.48Å | |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | C16 | sing | 1.52Å | 1.47Å | |
| C10 | C6 | sing | 1.53Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O25 | sing | 1.43Å | 1.42Å | |
| C28 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | doub | 1.35Å | 1.32Å | |
| C15 | C14 | sing | 1.46Å | 1.45Å | |
| C18 | O24 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C16 | C21 | sing | 1.48Å | 1.43Å | |
| C6 | C5 | sing | 1.55Å | 1.49Å | |
| C6 | C9 | sing | 1.52Å | 1.51Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C34 | O37 | sing | 1.43Å | 1.40Å | |
| C4 | C14 | doub | 1.33Å | 1.33Å | |
| C4 | C5 | sing | 1.50Å | 1.49Å | |
| C13 | C33 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| O25 | C19 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C26 | sing | 1.53Å | 1.50Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C29 | N32 | trip | 1.14Å | 1.14Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | doub | 1.33Å | 1.31Å | |
| C21 | C20 | sing | 1.52Å | 1.46Å | |
| C20 | O23 | sing | 1.43Å | 1.41Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| O24 | H9 | sing | 0.97Å | 0.95Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| O23 | H13 | sing | 0.97Å | 0.95Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| O37 | H43 | sing | 0.97Å | 0.95Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 111.8° | 111.7° |
| C2 | C3 | C4 | 108.4° | 110.7° |
| C2 | C3 | H18 | 109.7° | 109.2° |
| C2 | C3 | H19 | 109.8° | 109.2° |
| C3 | C2 | H20 | 108.9° | 109.0° |
| C3 | C2 | H21 | 108.9° | 109.1° |
| C2 | C1 | C6 | 107.7° | 107.4° |
| C1 | C2 | H20 | 108.9° | 109.0° |
| C1 | C2 | H21 | 108.9° | 109.0° |
| C2 | C1 | H31 | 109.9° | 109.9° |
| C2 | C1 | H32 | 109.9° | 109.8° |
| C35 | C34 | C36 | 107.8° | 109.5° |
| C35 | C34 | C33 | 109.4° | 109.5° |
| C35 | C34 | O37 | 112.9° | 109.5° |
| C34 | C35 | H47 | 109.5° | 109.5° |
| C34 | C35 | H48 | 109.5° | 109.4° |
| C34 | C35 | H49 | 109.5° | 109.5° |
| C3 | C4 | C14 | 117.7° | 122.4° |
| C3 | C4 | C5 | 117.0° | 115.2° |
| C4 | C3 | H18 | 109.8° | 109.3° |
| C4 | C3 | H19 | 109.8° | 109.3° |
| C1 | C6 | C10 | 107.3° | 108.9° |
| C1 | C6 | C5 | 103.9° | 107.6° |
| C1 | C6 | C9 | 118.2° | 118.2° |
| C6 | C1 | H31 | 109.9° | 110.1° |
| C6 | C1 | H32 | 109.9° | 109.7° |
| C28 | C30 | C31 | 60.6° | 60.0° |
| C30 | C28 | C27 | 116.5° | 117.5° |
| C30 | C28 | C31 | 57.7° | 60.0° |
| C30 | C28 | C29 | 119.3° | 117.5° |
| C28 | C30 | H3 | 119.9° | 117.5° |
| C28 | C30 | H4 | 119.9° | 117.5° |
| C30 | C31 | C28 | 61.7° | 60.0° |
| C30 | C31 | H1 | 119.7° | 117.5° |
| C30 | C31 | H2 | 119.7° | 117.5° |
| C31 | C30 | H3 | 119.9° | 117.5° |
| C31 | C30 | H4 | 119.9° | 117.5° |
| C18 | C17 | C16 | 107.4° | 108.4° |
| C17 | C18 | O24 | 106.8° | 109.5° |
| C17 | C18 | C19 | 113.3° | 109.8° |
| C17 | C18 | H8 | 108.2° | 109.3° |
| C18 | C17 | H10 | 110.0° | 109.6° |
| C18 | C17 | H11 | 110.0° | 109.6° |
| C17 | C16 | C15 | 119.4° | 121.6° |
| C17 | C16 | C21 | 116.8° | 116.8° |
| C16 | C17 | H10 | 110.0° | 109.7° |
| C16 | C17 | H11 | 110.0° | 109.7° |
| C10 | C6 | C5 | 112.3° | 109.2° |
| C10 | C6 | C9 | 111.7° | 109.2° |
| C6 | C10 | H28 | 109.5° | 109.5° |
| C6 | C10 | H29 | 109.5° | 109.5° |
| C6 | C10 | H30 | 109.4° | 109.4° |
| C28 | C27 | O25 | 114.4° | 109.5° |
| C27 | C28 | C31 | 96.7° | 117.5° |
| C27 | C28 | C29 | 115.6° | 115.6° |
| C28 | C27 | H5 | 108.2° | 109.5° |
| C28 | C27 | H6 | 108.2° | 109.5° |
| C27 | O25 | C19 | 110.4° | 114.0° |
| O25 | C27 | H5 | 108.2° | 109.4° |
| O25 | C27 | H6 | 108.2° | 109.5° |
| C31 | C28 | C29 | 87.7° | 117.5° |
| C28 | C31 | H1 | 119.7° | 117.5° |
| C28 | C31 | H2 | 119.7° | 117.5° |
| C28 | C29 | N32 | 179.6° | 179.9° |
| C16 | C15 | C14 | 123.8° | 120.0° |
| C15 | C16 | C21 | 123.8° | 121.6° |
| C16 | C15 | H16 | 118.1° | 120.0° |
| C15 | C14 | C4 | 115.9° | 120.1° |
| C14 | C15 | H16 | 118.1° | 119.9° |
| C15 | C14 | H17 | 122.1° | 119.9° |
| O24 | C18 | C19 | 110.7° | 109.4° |
| O24 | C18 | H8 | 109.5° | 109.4° |
| C18 | O24 | H9 | 109.5° | 114.0° |
| C18 | C19 | O25 | 107.3° | 109.4° |
| C18 | C19 | C20 | 115.0° | 109.8° |
| C18 | C19 | H7 | 108.7° | 109.4° |
| C19 | C18 | H8 | 108.2° | 109.4° |
| C16 | C21 | C22 | 120.8° | 121.6° |
| C16 | C21 | C20 | 119.4° | 116.7° |
| C5 | C6 | C9 | 103.3° | 103.2° |
| C6 | C5 | C4 | 110.0° | 105.5° |
| C6 | C5 | C7 | 105.0° | 101.2° |
| C6 | C5 | H22 | 107.0° | 111.4° |
| C6 | C9 | C11 | 117.0° | 110.4° |
| C6 | C9 | C8 | 104.3° | 105.1° |
| C6 | C9 | H27 | 107.3° | 110.3° |
| C36 | C34 | C33 | 113.0° | 109.5° |
| C36 | C34 | O37 | 106.8° | 109.4° |
| C34 | C36 | H44 | 109.5° | 109.5° |
| C34 | C36 | H45 | 109.5° | 109.5° |
| C34 | C36 | H46 | 109.4° | 109.5° |
| C33 | C34 | O37 | 107.0° | 109.5° |
| C34 | C33 | C13 | 115.3° | 109.5° |
| C34 | C33 | H41 | 108.0° | 109.5° |
| C34 | C33 | H42 | 108.0° | 109.5° |
| C34 | O37 | H43 | 109.5° | 113.9° |
| C14 | C4 | C5 | 125.4° | 122.4° |
| C4 | C14 | H17 | 122.1° | 120.0° |
| C4 | C5 | C7 | 120.4° | 116.7° |
| C4 | C5 | H22 | 107.0° | 110.7° |
| C33 | C13 | C12 | 110.5° | 109.4° |
| C33 | C13 | H39 | 109.2° | 109.4° |
| C33 | C13 | H40 | 109.2° | 109.5° |
| C13 | C33 | H41 | 108.0° | 109.4° |
| C13 | C33 | H42 | 108.0° | 109.5° |
| C13 | C12 | C11 | 111.9° | 109.4° |
| C13 | C12 | H37 | 108.9° | 109.5° |
| C13 | C12 | H38 | 108.9° | 109.5° |
| C12 | C13 | H39 | 109.2° | 109.5° |
| C12 | C13 | H40 | 109.2° | 109.5° |
| O25 | C19 | C20 | 107.0° | 109.4° |
| O25 | C19 | H7 | 110.1° | 109.4° |
| C12 | C11 | C9 | 116.8° | 109.5° |
| C12 | C11 | C26 | 106.1° | 109.5° |
| C12 | C11 | H33 | 108.5° | 109.5° |
| C11 | C12 | H37 | 108.9° | 109.4° |
| C11 | C12 | H38 | 108.9° | 109.4° |
| C9 | C11 | C26 | 108.3° | 109.5° |
| C11 | C9 | C8 | 113.4° | 110.3° |
| C11 | C9 | H27 | 107.2° | 110.3° |
| C9 | C11 | H33 | 108.3° | 109.5° |
| C26 | C11 | H33 | 108.6° | 109.5° |
| C11 | C26 | H34 | 109.5° | 109.4° |
| C11 | C26 | H35 | 109.5° | 109.5° |
| C11 | C26 | H36 | 109.5° | 109.4° |
| C5 | C7 | C8 | 103.3° | 102.8° |
| C7 | C5 | H22 | 106.8° | 110.7° |
| C5 | C7 | H23 | 111.0° | 110.7° |
| C5 | C7 | H24 | 111.0° | 110.7° |
| C19 | C20 | C21 | 108.9° | 108.4° |
| C19 | C20 | O23 | 107.6° | 109.7° |
| C20 | C19 | H7 | 108.8° | 109.4° |
| C19 | C20 | H12 | 110.5° | 109.6° |
| C9 | C8 | C7 | 107.7° | 106.3° |
| C9 | C8 | H25 | 109.9° | 110.1° |
| C9 | C8 | H26 | 109.9° | 110.1° |
| C8 | C9 | H27 | 107.2° | 110.3° |
| C22 | C21 | C20 | 119.8° | 121.6° |
| C21 | C22 | H14 | 120.0° | 120.0° |
| C21 | C22 | H15 | 120.0° | 120.0° |
| C21 | C20 | O23 | 107.1° | 109.7° |
| C21 | C20 | H12 | 110.9° | 109.7° |
| O23 | C20 | H12 | 111.7° | 109.7° |
| C20 | O23 | H13 | 109.5° | 114.0° |
| C8 | C7 | H23 | 111.0° | 110.8° |
| C8 | C7 | H24 | 111.0° | 110.7° |
| C7 | C8 | H25 | 109.9° | 110.1° |
| C7 | C8 | H26 | 109.9° | 110.1° |
| H1 | C31 | H2 | 109.5° | 115.5° |
| H3 | C30 | H4 | 109.5° | 115.6° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.8° |
| H14 | C22 | H15 | 120.0° | 120.0° |
| H18 | C3 | H19 | 109.5° | 109.2° |
| H20 | C2 | H21 | 109.5° | 109.0° |
| H23 | C7 | H24 | 109.5° | 110.8° |
| H25 | C8 | H26 | 109.5° | 110.1° |
| H28 | C10 | H29 | 109.5° | 109.5° |
| H28 | C10 | H30 | 109.5° | 109.5° |
| H29 | C10 | H30 | 109.5° | 109.5° |
| H31 | C1 | H32 | 109.5° | 109.8° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C12 | H38 | 109.5° | 109.5° |
| H39 | C13 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| H44 | C36 | H46 | 109.5° | 109.4° |
| H45 | C36 | H46 | 109.5° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| H47 | C35 | H49 | 109.5° | 109.5° |
| H48 | C35 | H49 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H20 | 120.4° | 120.5° |
| C3 | C2 | C1 | H21 | 120.4° | 120.6° |
| C2 | C3 | C4 | H18 | 119.8° | 120.3° |
| C2 | C3 | C4 | H19 | 119.9° | 120.3° |
| C3 | C2 | C1 | C6 | 65.9° | 59.3° |
| C2 | C3 | C4 | C14 | 137.4° | 129.8° |
| C2 | C3 | C4 | C5 | 44.1° | 50.0° |
| C2 | C3 | H18 | H19 | 120.5° | 119.3° |
| C3 | C2 | H20 | H21 | 119.0° | 118.9° |
| C3 | C2 | C1 | H31 | 53.8° | 60.5° |
| C3 | C2 | C1 | H32 | 174.3° | 178.6° |
| C1 | C2 | C3 | C4 | 49.2° | 48.6° |
| C2 | C1 | C6 | H31 | 119.7° | 119.7° |
| C2 | C1 | C6 | H32 | 119.7° | 119.3° |
| C2 | C1 | C6 | C10 | 48.7° | 49.9° |
| C2 | C1 | C6 | C5 | 70.4° | 68.4° |
| C2 | C1 | C6 | C9 | 175.9° | 175.3° |
| C1 | C2 | C3 | H18 | 169.0° | 71.7° |
| C1 | C2 | C3 | H19 | 70.7° | 168.9° |
| C1 | C2 | H20 | H21 | 118.9° | 118.9° |
| C2 | C1 | H31 | H32 | 120.8° | 120.9° |
| C35 | C34 | C36 | C33 | 121.0° | 120.0° |
| C35 | C34 | C36 | O37 | 121.5° | 120.0° |
| C35 | C34 | C33 | O37 | 122.6° | 120.0° |
| C35 | C34 | C33 | C13 | 63.4° | 180.0° |
| C35 | C34 | C33 | H41 | 175.7° | 60.0° |
| C35 | C34 | C33 | H42 | 57.4° | 60.0° |
| C35 | C34 | O37 | H43 | 180.0° | 60.0° |
| C35 | C34 | C36 | H44 | 180.0° | 60.0° |
| C35 | C34 | C36 | H45 | 60.0° | 60.0° |
| C35 | C34 | C36 | H46 | 60.0° | 180.0° |
| C34 | C35 | H47 | H48 | 120.0° | 120.0° |
| C34 | C35 | H47 | H49 | 120.0° | 120.1° |
| C34 | C35 | H48 | H49 | 120.0° | 120.0° |
| C3 | C4 | C14 | C15 | 0.2° | 0.3° |
| C3 | C4 | C5 | C6 | 53.4° | 57.9° |
| C3 | C4 | C14 | C5 | 178.4° | 179.7° |
| C3 | C4 | C5 | C7 | 175.6° | 169.4° |
| C3 | C4 | C14 | H17 | 179.8° | 179.8° |
| C4 | C3 | H18 | H19 | 120.5° | 119.4° |
| C4 | C3 | C2 | H20 | 169.5° | 169.1° |
| C4 | C3 | C2 | H21 | 71.2° | 72.0° |
| C3 | C4 | C5 | H22 | 62.4° | 62.8° |
| C1 | C6 | C10 | C5 | 113.5° | 117.3° |
| C1 | C6 | C10 | C9 | 131.0° | 130.5° |
| C1 | C6 | C5 | C9 | 123.9° | 125.8° |
| C1 | C6 | C5 | C4 | 63.6° | 66.6° |
| C1 | C6 | C9 | C11 | 87.4° | 92.2° |
| C1 | C6 | C5 | C7 | 165.5° | 171.3° |
| C1 | C6 | C9 | C8 | 146.5° | 148.8° |
| C6 | C1 | C2 | H20 | 173.7° | 179.9° |
| C6 | C1 | C2 | H21 | 54.4° | 61.3° |
| C1 | C6 | C5 | H22 | 52.3° | 53.6° |
| C1 | C6 | C9 | H27 | 33.0° | 29.9° |
| C1 | C6 | C10 | H28 | 180.0° | 175.8° |
| C1 | C6 | C10 | H29 | 60.0° | 55.8° |
| C1 | C6 | C10 | H30 | 60.0° | 64.2° |
| C6 | C1 | H31 | H32 | 120.9° | 121.0° |
| C28 | C30 | C31 | H3 | 109.6° | 107.5° |
| C28 | C30 | C31 | H4 | 109.6° | 107.5° |
| C30 | C28 | C27 | C31 | 57.1° | 68.6° |
| C30 | C28 | C27 | C29 | 147.8° | 145.7° |
| C30 | C28 | C27 | O25 | 179.6° | 111.4° |
| C30 | C28 | C31 | C29 | 127.3° | 107.5° |
| C30 | C28 | C29 | N32 | 26.6° | 25.2° |
| C28 | C30 | C31 | H1 | 109.9° | 107.5° |
| C28 | C30 | C31 | H2 | 109.9° | 107.5° |
| C28 | C30 | H3 | H4 | 144.4° | 145.7° |
| C30 | C28 | C27 | H5 | 59.7° | 128.7° |
| C30 | C28 | C27 | H6 | 58.8° | 8.6° |
| C30 | C31 | H1 | H2 | 143.8° | 145.8° |
| C31 | C30 | H3 | H4 | 144.4° | 145.7° |
| C18 | C17 | C16 | H10 | 119.7° | 119.7° |
| C18 | C17 | C16 | H11 | 119.7° | 119.6° |
| C18 | C17 | C16 | C15 | 133.3° | 133.4° |
| C17 | C18 | O24 | C19 | 123.8° | 120.3° |
| C17 | C18 | O24 | H8 | 117.0° | 119.8° |
| C17 | C18 | C19 | H8 | 120.1° | 120.0° |
| C18 | C17 | C16 | C21 | 48.8° | 46.6° |
| C17 | C18 | C19 | O25 | 64.5° | 173.7° |
| C17 | C18 | C19 | C20 | 54.3° | 66.2° |
| C17 | C18 | C19 | H7 | 176.5° | 53.9° |
| C17 | C18 | O24 | H9 | 180.0° | 59.6° |
| C18 | C17 | H10 | H11 | 120.9° | 120.4° |
| C17 | C16 | C15 | C21 | 177.7° | 180.0° |
| C17 | C16 | C15 | C14 | 179.6° | 180.0° |
| C16 | C17 | C18 | O24 | 69.8° | 177.8° |
| C16 | C17 | C18 | C19 | 52.4° | 57.7° |
| C17 | C16 | C21 | C22 | 132.3° | 136.9° |
| C17 | C16 | C21 | C20 | 46.9° | 43.1° |
| C16 | C17 | C18 | H8 | 172.4° | 62.3° |
| C16 | C17 | H10 | H11 | 120.9° | 120.7° |
| C17 | C16 | C15 | H16 | 0.4° | 0.1° |
| C10 | C6 | C5 | C9 | 120.5° | 116.1° |
| C10 | C6 | C5 | C4 | 52.0° | 51.5° |
| C10 | C6 | C9 | C11 | 37.7° | 33.1° |
| C10 | C6 | C5 | C7 | 78.9° | 70.6° |
| C10 | C6 | C9 | C8 | 88.4° | 85.9° |
| C10 | C6 | C5 | H22 | 167.9° | 171.7° |
| C10 | C6 | C9 | H27 | 158.1° | 155.2° |
| C6 | C10 | H28 | H29 | 120.0° | 120.0° |
| C6 | C10 | H28 | H30 | 120.0° | 119.9° |
| C6 | C10 | H29 | H30 | 120.0° | 119.9° |
| C10 | C6 | C1 | H31 | 168.4° | 169.6° |
| C10 | C6 | C1 | H32 | 71.0° | 69.4° |
| C28 | C27 | O25 | H5 | 120.7° | 120.0° |
| C28 | C27 | O25 | H6 | 120.7° | 120.0° |
| C27 | C28 | C31 | C29 | 115.5° | 145.0° |
| C28 | C27 | O25 | C19 | 143.7° | 180.0° |
| C27 | C28 | C29 | N32 | 173.5° | 120.5° |
| C27 | C28 | C31 | H1 | 132.8° | 0.0° |
| C27 | C28 | C31 | H2 | 7.3° | 145.0° |
| C27 | C28 | C30 | H3 | 169.6° | 145.0° |
| C27 | C28 | C30 | H4 | 28.9° | 0.0° |
| C28 | C27 | H5 | H6 | 117.7° | 120.0° |
| O25 | C27 | C28 | C31 | 123.3° | 180.0° |
| O25 | C27 | C28 | C29 | 32.7° | 34.3° |
| C27 | O25 | C19 | C18 | 69.4° | 149.7° |
| C27 | O25 | C19 | C20 | 166.8° | 90.0° |
| O25 | C27 | H5 | H6 | 117.7° | 120.0° |
| C27 | O25 | C19 | H7 | 48.7° | 29.8° |
| C31 | C28 | C29 | N32 | 77.1° | 93.8° |
| C28 | C31 | H1 | H2 | 143.8° | 145.6° |
| C31 | C28 | C27 | H5 | 2.6° | 60.1° |
| C31 | C28 | C27 | H6 | 115.9° | 60.0° |
| C29 | C28 | C31 | H1 | 17.3° | 145.0° |
| C29 | C28 | C31 | H2 | 122.8° | 0.0° |
| C29 | C28 | C30 | H3 | 43.8° | 0.0° |
| C29 | C28 | C30 | H4 | 175.5° | 145.0° |
| C29 | C28 | C27 | H5 | 88.1° | 85.6° |
| C29 | C28 | C27 | H6 | 153.4° | 154.3° |
| C16 | C15 | C14 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | C4 | 174.5° | 180.0° |
| C15 | C16 | C21 | C22 | 45.5° | 43.1° |
| C15 | C16 | C21 | C20 | 135.3° | 136.9° |
| C15 | C16 | C17 | H10 | 13.6° | 106.9° |
| C15 | C16 | C17 | H11 | 107.1° | 13.8° |
| C16 | C15 | C14 | H17 | 5.4° | 0.1° |
| C14 | C15 | C16 | C21 | 2.7° | 0.0° |
| C15 | C14 | C4 | H17 | 180.0° | 180.0° |
| C15 | C14 | C4 | C5 | 178.6° | 180.0° |
| O24 | C18 | C19 | H8 | 120.0° | 119.9° |
| O24 | C18 | C19 | O25 | 175.5° | 53.5° |
| O24 | C18 | C19 | C20 | 65.6° | 173.6° |
| O24 | C18 | C19 | H7 | 56.6° | 66.3° |
| O24 | C18 | C17 | H10 | 49.9° | 58.1° |
| O24 | C18 | C17 | H11 | 170.5° | 62.5° |
| C18 | C19 | O25 | C20 | 123.9° | 120.3° |
| C18 | C19 | O25 | H7 | 118.0° | 119.8° |
| C18 | C19 | C20 | H7 | 122.1° | 120.1° |
| C18 | C19 | C20 | C21 | 45.0° | 57.7° |
| C18 | C19 | C20 | O23 | 160.8° | 62.0° |
| C19 | C18 | O24 | H9 | 56.2° | 180.0° |
| C19 | C18 | C17 | H10 | 172.1° | 62.1° |
| C19 | C18 | C17 | H11 | 67.3° | 177.4° |
| C18 | C19 | C20 | H12 | 77.0° | 177.4° |
| C16 | C21 | C20 | C19 | 41.8° | 46.6° |
| C16 | C21 | C22 | C20 | 179.3° | 180.0° |
| C16 | C21 | C20 | O23 | 157.8° | 73.1° |
| C21 | C16 | C17 | H10 | 168.6° | 73.0° |
| C21 | C16 | C17 | H11 | 70.8° | 166.3° |
| C16 | C21 | C20 | H12 | 80.0° | 166.3° |
| C16 | C21 | C22 | H14 | 179.2° | 180.0° |
| C16 | C21 | C22 | H15 | 0.8° | 0.0° |
| C21 | C16 | C15 | H16 | 177.3° | 180.0° |
| C6 | C5 | C4 | C14 | 128.2° | 121.9° |
| C6 | C5 | C4 | C7 | 122.2° | 111.5° |
| C6 | C5 | C4 | H22 | 115.9° | 120.7° |
| C5 | C6 | C9 | C11 | 158.6° | 149.2° |
| C6 | C5 | C7 | H22 | 113.3° | 118.2° |
| C5 | C6 | C9 | C8 | 32.5° | 30.2° |
| C6 | C5 | C7 | C8 | 33.4° | 42.3° |
| C6 | C5 | C7 | H23 | 85.6° | 76.1° |
| C6 | C5 | C7 | H24 | 152.4° | 160.6° |
| C5 | C6 | C9 | H27 | 81.0° | 88.7° |
| C5 | C6 | C10 | H28 | 66.5° | 66.9° |
| C5 | C6 | C10 | H29 | 173.5° | 173.0° |
| C5 | C6 | C10 | H30 | 53.5° | 53.1° |
| C5 | C6 | C1 | H31 | 49.3° | 51.3° |
| C5 | C6 | C1 | H32 | 169.9° | 172.3° |
| C9 | C6 | C5 | C4 | 172.5° | 167.6° |
| C6 | C9 | C11 | C12 | 63.1° | 177.2° |
| C6 | C9 | C11 | C8 | 121.4° | 115.7° |
| C6 | C9 | C11 | H27 | 120.5° | 122.2° |
| C6 | C9 | C11 | C26 | 177.3° | 62.9° |
| C9 | C6 | C5 | C7 | 41.6° | 45.5° |
| C6 | C9 | C8 | H27 | 113.6° | 118.9° |
| C6 | C9 | C8 | C7 | 12.0° | 3.9° |
| C9 | C6 | C5 | H22 | 71.6° | 72.2° |
| C6 | C9 | C8 | H25 | 131.7° | 115.3° |
| C6 | C9 | C8 | H26 | 107.7° | 123.2° |
| C9 | C6 | C10 | H28 | 49.1° | 45.3° |
| C9 | C6 | C10 | H29 | 70.9° | 74.7° |
| C9 | C6 | C10 | H30 | 169.0° | 165.3° |
| C9 | C6 | C1 | H31 | 64.4° | 65.0° |
| C9 | C6 | C1 | H32 | 56.2° | 56.0° |
| C6 | C9 | C11 | H33 | 59.6° | 57.1° |
| C36 | C34 | C33 | O37 | 117.3° | 120.0° |
| C36 | C34 | C33 | C13 | 176.5° | 60.0° |
| C36 | C34 | C33 | H41 | 55.6° | 60.0° |
| C36 | C34 | C33 | H42 | 62.7° | 180.0° |
| C36 | C34 | O37 | H43 | 61.7° | 180.0° |
| C34 | C36 | H44 | H45 | 120.0° | 120.0° |
| C34 | C36 | H44 | H46 | 120.0° | 120.0° |
| C34 | C36 | H45 | H46 | 120.0° | 120.0° |
| C36 | C34 | C35 | H47 | 180.0° | 60.0° |
| C36 | C34 | C35 | H48 | 60.0° | 180.0° |
| C36 | C34 | C35 | H49 | 60.0° | 60.0° |
| C34 | C33 | C13 | H41 | 120.9° | 120.0° |
| C34 | C33 | C13 | H42 | 120.8° | 120.0° |
| C34 | C33 | C13 | C12 | 179.7° | 180.0° |
| C34 | C33 | C13 | H39 | 60.2° | 60.0° |
| C34 | C33 | C13 | H40 | 59.6° | 60.0° |
| C34 | C33 | H41 | H42 | 117.4° | 120.0° |
| C33 | C34 | O37 | H43 | 59.6° | 60.0° |
| C33 | C34 | C36 | H44 | 59.0° | 60.0° |
| C33 | C34 | C36 | H45 | 179.0° | 180.0° |
| C33 | C34 | C36 | H46 | 61.0° | 59.9° |
| C33 | C34 | C35 | H47 | 56.7° | 60.0° |
| C33 | C34 | C35 | H48 | 63.3° | 60.0° |
| C33 | C34 | C35 | H49 | 176.7° | 179.9° |
| O37 | C34 | C33 | C13 | 59.2° | 60.0° |
| O37 | C34 | C33 | H41 | 61.7° | 180.0° |
| O37 | C34 | C33 | H42 | 180.0° | 60.0° |
| O37 | C34 | C36 | H44 | 58.5° | 180.0° |
| O37 | C34 | C36 | H45 | 61.6° | 60.0° |
| O37 | C34 | C36 | H46 | 178.4° | 60.0° |
| O37 | C34 | C35 | H47 | 62.3° | 180.0° |
| O37 | C34 | C35 | H48 | 177.7° | 60.0° |
| O37 | C34 | C35 | H49 | 57.7° | 59.9° |
| C14 | C4 | C5 | C7 | 6.0° | 10.4° |
| C4 | C14 | C15 | H16 | 5.5° | 0.0° |
| C14 | C4 | C3 | H18 | 17.6° | 109.9° |
| C14 | C4 | C3 | H19 | 102.8° | 9.5° |
| C14 | C4 | C5 | H22 | 116.0° | 117.4° |
| C4 | C5 | C7 | H22 | 122.1° | 127.8° |
| C4 | C5 | C7 | C8 | 158.0° | 156.2° |
| C5 | C4 | C14 | H17 | 1.4° | 0.0° |
| C5 | C4 | C3 | H18 | 163.9° | 70.3° |
| C5 | C4 | C3 | H19 | 75.7° | 170.2° |
| C4 | C5 | C7 | H23 | 39.0° | 37.8° |
| C4 | C5 | C7 | H24 | 83.0° | 85.5° |
| C33 | C13 | C12 | H39 | 120.1° | 120.0° |
| C33 | C13 | C12 | H40 | 120.1° | 120.0° |
| C33 | C13 | C12 | C11 | 176.7° | 180.0° |
| C33 | C13 | C12 | H37 | 56.3° | 60.0° |
| C33 | C13 | C12 | H38 | 62.9° | 60.0° |
| C33 | C13 | H39 | H40 | 119.5° | 120.0° |
| C13 | C33 | H41 | H42 | 117.3° | 120.0° |
| C13 | C12 | C11 | H37 | 120.4° | 120.0° |
| C13 | C12 | C11 | H38 | 120.4° | 120.1° |
| C13 | C12 | C11 | C9 | 172.9° | 175.0° |
| C13 | C12 | C11 | C26 | 52.1° | 65.0° |
| C13 | C12 | C11 | H33 | 64.5° | 55.0° |
| C13 | C12 | H37 | H38 | 118.9° | 120.1° |
| C12 | C13 | H39 | H40 | 119.5° | 120.0° |
| C12 | C13 | C33 | H41 | 58.8° | 60.0° |
| C12 | C13 | C33 | H42 | 59.5° | 60.0° |
| O25 | C19 | C20 | H7 | 118.9° | 119.9° |
| O25 | C19 | C20 | C21 | 74.0° | 177.8° |
| O25 | C19 | C20 | O23 | 41.8° | 58.0° |
| C19 | O25 | C27 | H5 | 22.9° | 60.0° |
| C19 | O25 | C27 | H6 | 95.6° | 60.0° |
| O25 | C19 | C18 | H8 | 55.6° | 66.3° |
| O25 | C19 | C20 | H12 | 164.0° | 62.5° |
| C12 | C11 | C9 | C26 | 119.7° | 120.0° |
| C12 | C11 | C9 | H33 | 122.7° | 120.0° |
| C12 | C11 | C26 | H33 | 116.5° | 120.0° |
| C12 | C11 | C9 | C8 | 58.4° | 61.5° |
| C12 | C11 | C9 | H27 | 176.4° | 60.7° |
| C12 | C11 | C26 | H34 | 180.0° | 60.0° |
| C12 | C11 | C26 | H35 | 60.0° | 60.0° |
| C12 | C11 | C26 | H36 | 60.0° | 180.0° |
| C11 | C12 | H37 | H38 | 118.9° | 119.9° |
| C11 | C12 | C13 | H39 | 63.2° | 60.0° |
| C11 | C12 | C13 | H40 | 56.6° | 60.0° |
| C9 | C11 | C26 | H33 | 117.4° | 120.0° |
| C11 | C9 | C8 | H27 | 118.0° | 122.1° |
| C11 | C9 | C8 | C7 | 140.4° | 122.9° |
| C11 | C9 | C8 | H25 | 99.9° | 3.7° |
| C11 | C9 | C8 | H26 | 20.6° | 117.8° |
| C9 | C11 | C26 | H34 | 53.9° | 180.0° |
| C9 | C11 | C26 | H35 | 173.9° | 60.0° |
| C9 | C11 | C26 | H36 | 66.1° | 60.0° |
| C9 | C11 | C12 | H37 | 52.5° | 55.0° |
| C9 | C11 | C12 | H38 | 66.7° | 65.0° |
| C26 | C11 | C9 | C8 | 61.3° | 178.6° |
| C26 | C11 | C9 | H27 | 56.7° | 59.3° |
| C11 | C26 | H34 | H35 | 120.0° | 120.0° |
| C11 | C26 | H34 | H36 | 120.0° | 119.9° |
| C11 | C26 | H35 | H36 | 120.0° | 120.0° |
| C26 | C11 | C12 | H37 | 68.3° | 175.0° |
| C26 | C11 | C12 | H38 | 172.5° | 55.0° |
| C5 | C7 | C8 | C9 | 12.8° | 24.2° |
| C5 | C7 | C8 | H23 | 119.0° | 118.3° |
| C5 | C7 | C8 | H24 | 119.0° | 118.3° |
| C5 | C7 | H23 | H24 | 122.9° | 123.3° |
| C5 | C7 | C8 | H25 | 106.9° | 143.4° |
| C5 | C7 | C8 | H26 | 132.5° | 95.1° |
| C19 | C20 | C21 | C22 | 137.5° | 133.4° |
| C19 | C20 | C21 | O23 | 116.1° | 119.8° |
| C19 | C20 | C21 | H12 | 121.8° | 119.6° |
| C19 | C20 | O23 | H12 | 121.4° | 120.5° |
| C20 | C19 | C18 | H8 | 174.4° | 53.7° |
| C19 | C20 | O23 | H13 | 180.0° | 180.0° |
| C9 | C8 | C7 | H25 | 119.7° | 119.2° |
| C9 | C8 | C7 | H26 | 119.8° | 119.3° |
| C9 | C8 | C7 | H23 | 106.3° | 94.1° |
| C9 | C8 | C7 | H24 | 131.8° | 142.5° |
| C9 | C8 | H25 | H26 | 120.8° | 121.5° |
| C8 | C9 | C11 | H33 | 178.9° | 58.6° |
| C22 | C21 | C20 | O23 | 21.4° | 106.9° |
| C22 | C21 | C20 | H12 | 100.7° | 13.7° |
| C21 | C22 | H14 | H15 | 180.0° | 180.0° |
| C21 | C20 | O23 | H12 | 121.6° | 120.6° |
| C21 | C20 | C19 | H7 | 167.1° | 62.3° |
| C21 | C20 | O23 | H13 | 63.0° | 61.0° |
| C20 | C21 | C22 | H14 | 0.0° | 0.0° |
| C20 | C21 | C22 | H15 | 180.0° | 180.0° |
| O23 | C20 | C19 | H7 | 77.1° | 177.9° |
| C8 | C7 | C5 | H22 | 79.9° | 75.9° |
| C8 | C7 | H23 | H24 | 122.9° | 123.4° |
| C7 | C8 | H25 | H26 | 120.8° | 121.6° |
| C7 | C8 | C9 | H27 | 101.6° | 114.9° |
| H1 | C31 | C30 | H3 | 0.3° | 145.0° |
| H1 | C31 | C30 | H4 | 140.5° | 0.0° |
| H2 | C31 | C30 | H3 | 140.5° | 0.0° |
| H2 | C31 | C30 | H4 | 0.3° | 145.1° |
| H7 | C19 | C18 | H8 | 63.4° | 173.8° |
| H7 | C19 | C20 | H12 | 45.1° | 57.3° |
| H8 | C18 | O24 | H9 | 63.0° | 60.2° |
| H8 | C18 | C17 | H10 | 67.9° | 177.9° |
| H8 | C18 | C17 | H11 | 52.8° | 57.4° |
| H12 | C20 | O23 | H13 | 58.6° | 59.5° |
| H16 | C15 | C14 | H17 | 174.5° | 180.0° |
| H18 | C3 | C2 | H20 | 70.6° | 48.8° |
| H18 | C3 | C2 | H21 | 48.7° | 167.6° |
| H19 | C3 | C2 | H20 | 49.7° | 70.5° |
| H19 | C3 | C2 | H21 | 169.0° | 48.3° |
| H20 | C2 | C1 | H31 | 66.6° | 60.1° |
| H20 | C2 | C1 | H32 | 54.0° | 60.9° |
| H21 | C2 | C1 | H31 | 174.2° | 178.9° |
| H21 | C2 | C1 | H32 | 65.3° | 58.0° |
| H22 | C5 | C7 | H23 | 161.1° | 165.7° |
| H22 | C5 | C7 | H24 | 39.1° | 42.4° |
| H23 | C7 | C8 | H25 | 134.0° | 25.1° |
| H23 | C7 | C8 | H26 | 13.5° | 146.6° |
| H24 | C7 | C8 | H25 | 12.0° | 98.3° |
| H24 | C7 | C8 | H26 | 108.5° | 23.2° |
| H25 | C8 | C9 | H27 | 18.1° | 125.9° |
| H26 | C8 | C9 | H27 | 138.7° | 4.4° |
| H27 | C9 | C11 | H33 | 60.9° | 179.3° |
| H28 | C10 | H29 | H30 | 120.0° | 120.0° |
| H33 | C11 | C26 | H34 | 63.5° | 60.0° |
| H33 | C11 | C26 | H35 | 56.5° | 180.0° |
| H33 | C11 | C26 | H36 | 176.5° | 60.0° |
| H33 | C11 | C12 | H37 | 175.2° | 65.0° |
| H33 | C11 | C12 | H38 | 55.9° | 175.0° |
| H34 | C26 | H35 | H36 | 120.0° | 120.1° |
| H37 | C12 | C13 | H39 | 176.5° | 180.0° |
| H37 | C12 | C13 | H40 | 63.8° | 60.0° |
| H38 | C12 | C13 | H39 | 57.2° | 59.9° |
| H38 | C12 | C13 | H40 | 176.9° | 180.0° |
| H39 | C13 | C33 | H41 | 179.0° | 180.0° |
| H39 | C13 | C33 | H42 | 60.7° | 60.0° |
| H40 | C13 | C33 | H41 | 61.3° | 60.0° |
| H40 | C13 | C33 | H42 | 179.6° | 180.0° |
| H44 | C36 | H45 | H46 | 120.0° | 120.0° |
| H47 | C35 | H48 | H49 | 120.0° | 120.0° |
