4YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O20 | sing | 1.43Å | 1.46Å | |
| O20 | C7 | sing | 1.36Å | 1.38Å | |
| C7 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| O24 | C10 | sing | 1.36Å | 1.36Å | |
| O24 | C33 | sing | 1.43Å | 1.44Å | |
| C10 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.51Å | 1.39Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N8 | sing | 1.47Å | 1.47Å | |
| C14 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N8 | sing | 1.47Å | 1.48Å | |
| N8 | C25 | sing | 1.47Å | 1.48Å | |
| N4 | C3 | trip | 1.14Å | 1.20Å | |
| C30 | O19 | sing | 1.43Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C3 | C1 | sing | 1.47Å | 1.45Å | |
| C22 | C26 | sing | 1.53Å | 1.55Å | |
| C22 | C1 | sing | 1.53Å | 1.57Å | |
| O19 | C6 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.44Å | |
| C1 | C15 | sing | 1.53Å | 1.58Å | |
| C6 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C28 | sing | 1.53Å | 1.55Å | |
| C9 | O23 | sing | 1.36Å | 1.38Å | |
| C9 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| O23 | C32 | sing | 1.43Å | 1.60Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O20 | C7 | 115.3° | 117.0° |
| O20 | C31 | H37 | 109.5° | 109.4° |
| O20 | C31 | H38 | 109.5° | 109.5° |
| O20 | C31 | H39 | 109.4° | 109.5° |
| O20 | C7 | C12 | 122.6° | 120.1° |
| O20 | C7 | C10 | 119.1° | 120.1° |
| C12 | C7 | C10 | 118.4° | 119.9° |
| C7 | C12 | C17 | 120.3° | 120.0° |
| C7 | C12 | H31 | 119.8° | 120.0° |
| C7 | C10 | O24 | 119.2° | 120.1° |
| C7 | C10 | C14 | 121.1° | 119.8° |
| C12 | C17 | C21 | 120.5° | 120.0° |
| C12 | C17 | C18 | 120.9° | 120.1° |
| C17 | C12 | H31 | 119.9° | 120.0° |
| C10 | O24 | C33 | 109.3° | 117.0° |
| O24 | C10 | C14 | 119.8° | 120.1° |
| O24 | C33 | H34 | 109.5° | 109.5° |
| O24 | C33 | H35 | 109.5° | 109.5° |
| O24 | C33 | H36 | 109.5° | 109.5° |
| C10 | C14 | C18 | 120.2° | 120.0° |
| C10 | C14 | H33 | 119.9° | 120.0° |
| C21 | C17 | C18 | 118.6° | 119.9° |
| C17 | C21 | C16 | 111.5° | 109.5° |
| C17 | C21 | H29 | 109.0° | 109.4° |
| C17 | C21 | H30 | 109.0° | 109.4° |
| C17 | C18 | C14 | 119.2° | 120.1° |
| C17 | C18 | H32 | 120.4° | 119.9° |
| C21 | C16 | N8 | 111.7° | 109.5° |
| C21 | C16 | H27 | 108.9° | 109.5° |
| C21 | C16 | H28 | 108.9° | 109.5° |
| C16 | C21 | H29 | 109.0° | 109.5° |
| C16 | C21 | H30 | 109.0° | 109.5° |
| C16 | N8 | C27 | 111.7° | 111.0° |
| C16 | N8 | C25 | 107.9° | 111.0° |
| N8 | C16 | H27 | 108.9° | 109.5° |
| N8 | C16 | H28 | 108.9° | 109.4° |
| C14 | C18 | H32 | 120.4° | 120.0° |
| C18 | C14 | H33 | 119.9° | 120.0° |
| C27 | N8 | C25 | 115.2° | 111.0° |
| N8 | C27 | H24 | 109.5° | 109.5° |
| N8 | C27 | H25 | 109.5° | 109.5° |
| N8 | C27 | H26 | 109.5° | 109.5° |
| N8 | C25 | C26 | 116.1° | 109.4° |
| N8 | C25 | H21 | 107.8° | 109.4° |
| N8 | C25 | H22 | 107.8° | 109.5° |
| N4 | C3 | C1 | 178.5° | 179.9° |
| C30 | O19 | C6 | 112.2° | 117.0° |
| O19 | C30 | H1 | 109.5° | 109.5° |
| O19 | C30 | H2 | 109.5° | 109.5° |
| O19 | C30 | H3 | 109.5° | 109.5° |
| C25 | C26 | C22 | 111.5° | 109.4° |
| C25 | C26 | H19 | 109.0° | 109.5° |
| C25 | C26 | H20 | 108.9° | 109.5° |
| C26 | C25 | H21 | 107.8° | 109.5° |
| C26 | C25 | H22 | 107.8° | 109.5° |
| C3 | C1 | C22 | 102.4° | 109.4° |
| C3 | C1 | C2 | 105.0° | 109.4° |
| C3 | C1 | C15 | 105.6° | 109.5° |
| C26 | C22 | C1 | 119.1° | 109.5° |
| C26 | C22 | H17 | 107.0° | 109.5° |
| C26 | C22 | H18 | 107.0° | 109.5° |
| C22 | C26 | H19 | 108.9° | 109.4° |
| C22 | C26 | H20 | 109.0° | 109.5° |
| C22 | C1 | C2 | 111.2° | 109.5° |
| C22 | C1 | C15 | 118.9° | 109.5° |
| C1 | C22 | H17 | 107.0° | 109.4° |
| C1 | C22 | H18 | 107.0° | 109.5° |
| O19 | C6 | C5 | 121.5° | 120.1° |
| O19 | C6 | C9 | 118.2° | 120.1° |
| C6 | C5 | C2 | 122.0° | 120.0° |
| C5 | C6 | C9 | 120.3° | 119.9° |
| C6 | C5 | H4 | 119.0° | 120.0° |
| C5 | C2 | C1 | 119.1° | 120.0° |
| C5 | C2 | C11 | 116.2° | 120.1° |
| C2 | C5 | H4 | 119.0° | 120.0° |
| C2 | C1 | C15 | 112.2° | 109.5° |
| C1 | C2 | C11 | 124.7° | 119.9° |
| C1 | C15 | C29 | 114.7° | 109.4° |
| C1 | C15 | C28 | 113.8° | 109.5° |
| C1 | C15 | H10 | 105.3° | 109.5° |
| C6 | C9 | O23 | 120.2° | 120.1° |
| C6 | C9 | C13 | 119.0° | 119.8° |
| C2 | C11 | C13 | 122.8° | 120.2° |
| C2 | C11 | H9 | 118.6° | 119.9° |
| C29 | C15 | C28 | 110.9° | 109.5° |
| C29 | C15 | H10 | 105.7° | 109.4° |
| C15 | C29 | H11 | 109.5° | 109.5° |
| C15 | C29 | H12 | 109.5° | 109.5° |
| C15 | C29 | H13 | 109.4° | 109.5° |
| C28 | C15 | H10 | 105.6° | 109.5° |
| C15 | C28 | H14 | 109.5° | 109.4° |
| C15 | C28 | H15 | 109.5° | 109.5° |
| C15 | C28 | H16 | 109.5° | 109.5° |
| O23 | C9 | C13 | 120.8° | 120.1° |
| C9 | O23 | C32 | 115.5° | 117.0° |
| C9 | C13 | C11 | 119.6° | 120.0° |
| C9 | C13 | H8 | 120.2° | 120.0° |
| C11 | C13 | H8 | 120.2° | 120.0° |
| C13 | C11 | H9 | 118.6° | 119.9° |
| O23 | C32 | H5 | 109.5° | 109.5° |
| O23 | C32 | H6 | 109.5° | 109.5° |
| O23 | C32 | H7 | 109.5° | 109.4° |
| H1 | C30 | H2 | 109.5° | 109.4° |
| H1 | C30 | H3 | 109.5° | 109.4° |
| H2 | C30 | H3 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H5 | C32 | H7 | 109.5° | 109.5° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H11 | C29 | H12 | 109.5° | 109.5° |
| H11 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.4° | 109.5° |
| H14 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.4° |
| H17 | C22 | H18 | 109.4° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.4° | 109.5° |
| H24 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.5° | 109.4° |
| H34 | C33 | H36 | 109.5° | 109.6° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O20 | C7 | C12 | 21.9° | 0.1° |
| C31 | O20 | C7 | C10 | 158.2° | 180.0° |
| O20 | C31 | H37 | H38 | 120.0° | 120.0° |
| O20 | C31 | H37 | H39 | 120.0° | 120.0° |
| O20 | C31 | H38 | H39 | 120.0° | 120.0° |
| O20 | C7 | C12 | C10 | 179.9° | 179.9° |
| O20 | C7 | C12 | C17 | 179.7° | 180.0° |
| O20 | C7 | C10 | O24 | 0.3° | 0.1° |
| O20 | C7 | C10 | C14 | 180.0° | 179.8° |
| O20 | C7 | C12 | H31 | 0.3° | 0.0° |
| C7 | O20 | C31 | H37 | 180.0° | 60.0° |
| C7 | O20 | C31 | H38 | 60.0° | 60.0° |
| C7 | O20 | C31 | H39 | 60.0° | 180.0° |
| C7 | C12 | C17 | H31 | 180.0° | 180.0° |
| C12 | C7 | C10 | O24 | 179.6° | 180.0° |
| C12 | C7 | C10 | C14 | 0.1° | 0.3° |
| C7 | C12 | C17 | C21 | 179.9° | 179.9° |
| C7 | C12 | C17 | C18 | 0.4° | 0.2° |
| C10 | C7 | C12 | C17 | 0.2° | 0.1° |
| C7 | C10 | O24 | C14 | 179.7° | 179.7° |
| C7 | C10 | O24 | C33 | 130.3° | 179.7° |
| C7 | C10 | C14 | C18 | 0.2° | 0.3° |
| C10 | C7 | C12 | H31 | 179.8° | 179.9° |
| C7 | C10 | C14 | H33 | 179.8° | 179.7° |
| C12 | C17 | C21 | C18 | 179.5° | 179.7° |
| C12 | C17 | C21 | C16 | 69.8° | 89.7° |
| C12 | C17 | C18 | C14 | 0.3° | 0.3° |
| C12 | C17 | C21 | H29 | 50.5° | 150.2° |
| C12 | C17 | C21 | H30 | 169.8° | 30.3° |
| C12 | C17 | C18 | H32 | 179.7° | 179.8° |
| O24 | C10 | C14 | C18 | 179.5° | 180.0° |
| O24 | C10 | C14 | H33 | 0.5° | 0.0° |
| C10 | O24 | C33 | H34 | 180.0° | 60.0° |
| C10 | O24 | C33 | H35 | 60.0° | 60.0° |
| C10 | O24 | C33 | H36 | 60.0° | 179.9° |
| C33 | O24 | C10 | C14 | 49.4° | 0.1° |
| O24 | C33 | H34 | H35 | 120.0° | 120.0° |
| O24 | C33 | H34 | H36 | 120.0° | 120.0° |
| O24 | C33 | H35 | H36 | 120.0° | 120.0° |
| C10 | C14 | C18 | C17 | 0.0° | 0.0° |
| C10 | C14 | C18 | H33 | 180.0° | 180.0° |
| C10 | C14 | C18 | H32 | 180.0° | 180.0° |
| C17 | C21 | C16 | H29 | 120.3° | 120.0° |
| C17 | C21 | C16 | H30 | 120.3° | 120.0° |
| C17 | C21 | C16 | N8 | 130.8° | 180.0° |
| C21 | C17 | C18 | C14 | 179.8° | 180.0° |
| C17 | C21 | C16 | H27 | 10.5° | 60.0° |
| C17 | C21 | C16 | H28 | 108.9° | 60.0° |
| C17 | C21 | H29 | H30 | 119.1° | 119.9° |
| C21 | C17 | C12 | H31 | 0.1° | 0.1° |
| C21 | C17 | C18 | H32 | 0.2° | 0.1° |
| C18 | C17 | C21 | C16 | 110.7° | 90.0° |
| C17 | C18 | C14 | H32 | 180.0° | 180.0° |
| C18 | C17 | C21 | H29 | 129.0° | 30.0° |
| C18 | C17 | C21 | H30 | 9.7° | 150.0° |
| C18 | C17 | C12 | H31 | 179.6° | 179.8° |
| C17 | C18 | C14 | H33 | 180.0° | 180.0° |
| C21 | C16 | N8 | H27 | 120.3° | 120.0° |
| C21 | C16 | N8 | H28 | 120.3° | 120.1° |
| C21 | C16 | N8 | C27 | 149.7° | 66.0° |
| C21 | C16 | N8 | C25 | 82.7° | 170.0° |
| C21 | C16 | H27 | H28 | 119.0° | 120.0° |
| C16 | C21 | H29 | H30 | 119.1° | 120.1° |
| C16 | N8 | C27 | C25 | 123.6° | 123.9° |
| C16 | N8 | C25 | C26 | 119.0° | 170.0° |
| C16 | N8 | C25 | H21 | 120.0° | 70.0° |
| C16 | N8 | C25 | H22 | 2.0° | 50.0° |
| C16 | N8 | C27 | H24 | 180.0° | 64.0° |
| C16 | N8 | C27 | H25 | 60.0° | 56.0° |
| C16 | N8 | C27 | H26 | 60.0° | 176.0° |
| N8 | C16 | H27 | H28 | 119.0° | 120.0° |
| N8 | C16 | C21 | H29 | 108.9° | 60.0° |
| N8 | C16 | C21 | H30 | 10.4° | 60.0° |
| C27 | N8 | C25 | C26 | 6.6° | 66.0° |
| C27 | N8 | C25 | H21 | 114.4° | 53.9° |
| C27 | N8 | C25 | H22 | 127.5° | 174.0° |
| N8 | C27 | H24 | H25 | 120.0° | 120.0° |
| N8 | C27 | H24 | H26 | 120.0° | 120.0° |
| N8 | C27 | H25 | H26 | 120.0° | 120.0° |
| C27 | N8 | C16 | H27 | 90.0° | 54.0° |
| C27 | N8 | C16 | H28 | 29.3° | 173.9° |
| N8 | C25 | C26 | H21 | 121.0° | 119.9° |
| N8 | C25 | C26 | H22 | 121.0° | 120.0° |
| N8 | C25 | C26 | C22 | 86.0° | 180.0° |
| N8 | C25 | C26 | H19 | 34.3° | 60.0° |
| N8 | C25 | C26 | H20 | 153.7° | 60.0° |
| N8 | C25 | H21 | H22 | 117.0° | 120.0° |
| C25 | N8 | C27 | H24 | 56.4° | 60.0° |
| C25 | N8 | C27 | H25 | 63.6° | 180.0° |
| C25 | N8 | C27 | H26 | 176.4° | 60.0° |
| C25 | N8 | C16 | H27 | 37.6° | 70.0° |
| C25 | N8 | C16 | H28 | 157.0° | 49.9° |
| N4 | C3 | C1 | C22 | 102.8° | 45.7° |
| N4 | C3 | C1 | C2 | 140.9° | 165.7° |
| N4 | C3 | C1 | C15 | 22.2° | 74.3° |
| C30 | O19 | C6 | C5 | 80.7° | 0.3° |
| C30 | O19 | C6 | C9 | 100.1° | 180.0° |
| O19 | C30 | H1 | H2 | 120.0° | 120.0° |
| O19 | C30 | H1 | H3 | 120.0° | 120.1° |
| O19 | C30 | H2 | H3 | 120.0° | 120.1° |
| C25 | C26 | C22 | H19 | 120.3° | 120.0° |
| C25 | C26 | C22 | H20 | 120.3° | 120.0° |
| C25 | C26 | C22 | C1 | 114.3° | 180.0° |
| C25 | C26 | C22 | H17 | 7.1° | 60.1° |
| C25 | C26 | C22 | H18 | 124.3° | 59.9° |
| C25 | C26 | H19 | H20 | 119.0° | 120.1° |
| C26 | C25 | H21 | H22 | 117.0° | 120.1° |
| C3 | C1 | C22 | C26 | 137.3° | 60.1° |
| C3 | C1 | C22 | C2 | 111.7° | 119.9° |
| C3 | C1 | C22 | C15 | 115.8° | 120.0° |
| C3 | C1 | C2 | C5 | 6.3° | 58.3° |
| C3 | C1 | C2 | C15 | 114.2° | 120.0° |
| C3 | C1 | C2 | C11 | 172.8° | 121.6° |
| C3 | C1 | C15 | C29 | 75.0° | 60.9° |
| C3 | C1 | C15 | C28 | 155.9° | 179.1° |
| C3 | C1 | C15 | H10 | 40.7° | 59.1° |
| C3 | C1 | C22 | H17 | 15.9° | 180.0° |
| C3 | C1 | C22 | H18 | 101.3° | 60.0° |
| C26 | C22 | C1 | H17 | 121.4° | 119.9° |
| C26 | C22 | C1 | H18 | 121.4° | 120.1° |
| C26 | C22 | C1 | C2 | 111.0° | 180.0° |
| C26 | C22 | C1 | C15 | 21.5° | 59.9° |
| C26 | C22 | H17 | H18 | 115.7° | 120.0° |
| C22 | C26 | H19 | H20 | 119.1° | 120.0° |
| C22 | C26 | C25 | H21 | 153.0° | 60.1° |
| C22 | C26 | C25 | H22 | 35.0° | 60.0° |
| C22 | C1 | C2 | C5 | 103.8° | 61.6° |
| C22 | C1 | C2 | C15 | 135.8° | 120.0° |
| C22 | C1 | C2 | C11 | 77.1° | 118.4° |
| C22 | C1 | C15 | C29 | 39.1° | 179.1° |
| C22 | C1 | C15 | C28 | 90.1° | 59.2° |
| C22 | C1 | C15 | H10 | 154.8° | 60.9° |
| C1 | C22 | H17 | H18 | 115.6° | 120.0° |
| C1 | C22 | C26 | H19 | 125.4° | 60.0° |
| C1 | C22 | C26 | H20 | 6.0° | 60.0° |
| O19 | C6 | C5 | C9 | 179.2° | 179.8° |
| O19 | C6 | C5 | C2 | 179.9° | 180.0° |
| O19 | C6 | C9 | O23 | 1.2° | 0.0° |
| O19 | C6 | C9 | C13 | 179.8° | 180.0° |
| C6 | O19 | C30 | H1 | 180.0° | 180.0° |
| C6 | O19 | C30 | H2 | 60.0° | 60.0° |
| C6 | O19 | C30 | H3 | 60.0° | 60.0° |
| O19 | C6 | C5 | H4 | 0.1° | 0.0° |
| C6 | C5 | C2 | H4 | 180.0° | 180.0° |
| C6 | C5 | C2 | C1 | 179.9° | 180.0° |
| C6 | C5 | C2 | C11 | 0.7° | 0.0° |
| C5 | C6 | C9 | O23 | 179.6° | 179.7° |
| C5 | C6 | C9 | C13 | 1.0° | 0.2° |
| C5 | C2 | C1 | C11 | 179.1° | 180.0° |
| C5 | C2 | C1 | C15 | 120.4° | 178.4° |
| C2 | C5 | C6 | C9 | 0.9° | 0.2° |
| C5 | C2 | C11 | C13 | 0.6° | 0.3° |
| C5 | C2 | C11 | H9 | 179.4° | 180.0° |
| C2 | C1 | C15 | C29 | 171.2° | 59.1° |
| C2 | C1 | C15 | C28 | 42.0° | 60.9° |
| C1 | C2 | C11 | C13 | 179.7° | 179.7° |
| C1 | C2 | C5 | H4 | 0.1° | 0.0° |
| C1 | C2 | C11 | H9 | 0.2° | 0.0° |
| C2 | C1 | C15 | H10 | 73.1° | 179.1° |
| C2 | C1 | C22 | H17 | 127.6° | 60.1° |
| C2 | C1 | C22 | H18 | 10.4° | 59.9° |
| C15 | C1 | C2 | C11 | 58.7° | 1.6° |
| C1 | C15 | C29 | C28 | 130.6° | 120.0° |
| C1 | C15 | C29 | H10 | 115.5° | 120.0° |
| C1 | C15 | C28 | H10 | 115.0° | 120.1° |
| C1 | C15 | C29 | H11 | 180.0° | 40.8° |
| C1 | C15 | C29 | H12 | 60.0° | 160.8° |
| C1 | C15 | C29 | H13 | 60.0° | 79.2° |
| C1 | C15 | C28 | H14 | 180.0° | 81.3° |
| C1 | C15 | C28 | H15 | 60.0° | 158.7° |
| C1 | C15 | C28 | H16 | 60.0° | 38.8° |
| C15 | C1 | C22 | H17 | 99.9° | 60.0° |
| C15 | C1 | C22 | H18 | 142.9° | 180.0° |
| C6 | C9 | O23 | C13 | 178.5° | 180.0° |
| C6 | C9 | C13 | C11 | 0.9° | 0.1° |
| C6 | C9 | O23 | C32 | 63.6° | 180.0° |
| C9 | C6 | C5 | H4 | 179.1° | 179.7° |
| C6 | C9 | C13 | H8 | 179.1° | 180.0° |
| C2 | C11 | C13 | C9 | 0.7° | 0.3° |
| C2 | C11 | C13 | H9 | 180.0° | 179.8° |
| C11 | C2 | C5 | H4 | 179.3° | 180.0° |
| C2 | C11 | C13 | H8 | 179.3° | 179.8° |
| C29 | C15 | C28 | H10 | 114.0° | 120.0° |
| C15 | C29 | H11 | H12 | 120.0° | 120.0° |
| C15 | C29 | H11 | H13 | 120.0° | 120.0° |
| C15 | C29 | H12 | H13 | 120.0° | 120.0° |
| C29 | C15 | C28 | H14 | 49.0° | 158.8° |
| C29 | C15 | C28 | H15 | 168.9° | 38.7° |
| C29 | C15 | C28 | H16 | 71.0° | 81.2° |
| C28 | C15 | C29 | H11 | 49.5° | 79.2° |
| C28 | C15 | C29 | H12 | 70.6° | 40.8° |
| C28 | C15 | C29 | H13 | 169.5° | 160.8° |
| C15 | C28 | H14 | H15 | 120.0° | 120.0° |
| C15 | C28 | H14 | H16 | 120.0° | 120.0° |
| C15 | C28 | H15 | H16 | 120.0° | 120.0° |
| O23 | C9 | C13 | C11 | 179.4° | 180.0° |
| C9 | O23 | C32 | H5 | 180.0° | 60.0° |
| C9 | O23 | C32 | H6 | 60.0° | 60.0° |
| C9 | O23 | C32 | H7 | 60.0° | 180.0° |
| O23 | C9 | C13 | H8 | 0.6° | 0.1° |
| C9 | C13 | C11 | H8 | 180.0° | 179.9° |
| C13 | C9 | O23 | C32 | 117.8° | 0.0° |
| C9 | C13 | C11 | H9 | 179.2° | 179.9° |
| O23 | C32 | H5 | H6 | 120.0° | 120.0° |
| O23 | C32 | H5 | H7 | 120.0° | 119.9° |
| O23 | C32 | H6 | H7 | 120.0° | 119.9° |
| H1 | C30 | H2 | H3 | 120.0° | 119.9° |
| H5 | C32 | H6 | H7 | 120.0° | 120.1° |
| H8 | C13 | C11 | H9 | 0.7° | 0.0° |
| H10 | C15 | C29 | H11 | 64.5° | 160.8° |
| H10 | C15 | C29 | H12 | 175.5° | 79.2° |
| H10 | C15 | C29 | H13 | 55.5° | 40.8° |
| H10 | C15 | C28 | H14 | 65.0° | 38.8° |
| H10 | C15 | C28 | H15 | 54.9° | 81.2° |
| H10 | C15 | C28 | H16 | 174.9° | 158.8° |
| H11 | C29 | H12 | H13 | 120.0° | 120.0° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C22 | C26 | H19 | 113.3° | 179.9° |
| H17 | C22 | C26 | H20 | 127.3° | 59.9° |
| H18 | C22 | C26 | H19 | 4.0° | 60.0° |
| H18 | C22 | C26 | H20 | 115.4° | 180.0° |
| H19 | C26 | C25 | H21 | 86.7° | 180.0° |
| H19 | C26 | C25 | H22 | 155.2° | 59.9° |
| H20 | C26 | C25 | H21 | 32.7° | 59.9° |
| H20 | C26 | C25 | H22 | 85.4° | 180.0° |
| H24 | C27 | H25 | H26 | 120.0° | 120.0° |
| H27 | C16 | C21 | H29 | 130.7° | 180.0° |
| H27 | C16 | C21 | H30 | 109.9° | 60.0° |
| H28 | C16 | C21 | H29 | 11.4° | 60.0° |
| H28 | C16 | C21 | H30 | 130.8° | 180.0° |
| H32 | C18 | C14 | H33 | 0.0° | 0.0° |
| H34 | C33 | H35 | H36 | 120.0° | 120.1° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
