90L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.54Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | doub | 1.32Å | 1.34Å | |
| C10 | C5 | sing | 1.53Å | 1.55Å | |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C22 | sing | 1.46Å | 1.49Å | |
| C3 | C4 | sing | 1.49Å | 1.52Å | |
| C22 | C23 | doub | 1.35Å | 1.35Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.50Å | 1.54Å | |
| C5 | C4 | sing | 1.54Å | 1.55Å | |
| C5 | C9 | sing | 1.54Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | O31 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C4 | C7 | sing | 1.54Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O21 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.47Å | 1.50Å | |
| C34 | O35 | sing | 1.43Å | 1.45Å | |
| C24 | C29 | doub | 1.32Å | 1.35Å | |
| C27 | C32 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.57Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.50Å | 1.52Å | |
| C28 | O30 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| O35 | H5 | sing | 0.97Å | 0.95Å | |
| C34 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| O31 | H14 | sing | 0.97Å | 0.95Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| O30 | H18 | sing | 0.97Å | 0.95Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| O21 | H42 | sing | 0.97Å | 0.95Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 111.9° | 109.6° |
| C1 | C2 | C3 | 123.9° | 122.7° |
| C1 | C2 | H1 | 118.1° | 118.7° |
| C2 | C1 | H30 | 108.8° | 109.5° |
| C2 | C1 | H31 | 108.8° | 109.5° |
| C1 | C6 | C5 | 115.1° | 109.6° |
| C1 | C6 | H3 | 108.1° | 109.5° |
| C1 | C6 | H4 | 108.0° | 109.3° |
| C6 | C1 | H30 | 108.8° | 109.7° |
| C6 | C1 | H31 | 108.8° | 109.0° |
| C2 | C3 | C22 | 116.8° | 117.6° |
| C2 | C3 | C4 | 122.1° | 124.9° |
| C3 | C2 | H1 | 118.1° | 118.7° |
| C10 | C5 | C6 | 108.7° | 111.9° |
| C10 | C5 | C4 | 111.9° | 111.4° |
| C10 | C5 | C9 | 113.3° | 111.4° |
| C5 | C10 | H27 | 109.5° | 109.5° |
| C5 | C10 | H28 | 109.5° | 109.5° |
| C5 | C10 | H29 | 109.4° | 109.5° |
| C20 | C18 | C17 | 102.9° | 109.5° |
| C20 | C18 | C19 | 110.3° | 109.5° |
| C20 | C18 | O21 | 110.0° | 109.5° |
| C18 | C20 | H43 | 109.5° | 109.5° |
| C18 | C20 | H44 | 109.5° | 109.5° |
| C18 | C20 | H45 | 109.5° | 109.5° |
| C6 | C5 | C4 | 109.5° | 109.4° |
| C6 | C5 | C9 | 109.0° | 108.2° |
| C5 | C6 | H3 | 108.0° | 109.5° |
| C5 | C6 | H4 | 108.0° | 109.5° |
| C22 | C3 | C4 | 121.0° | 117.5° |
| C3 | C22 | C23 | 122.1° | 120.0° |
| C3 | C22 | H21 | 118.9° | 120.0° |
| C3 | C4 | C5 | 115.8° | 112.1° |
| C3 | C4 | C7 | 116.1° | 110.7° |
| C3 | C4 | H2 | 106.1° | 110.0° |
| C22 | C23 | C24 | 121.7° | 120.0° |
| C22 | C23 | H20 | 119.2° | 120.0° |
| C23 | C22 | H21 | 119.0° | 120.0° |
| C26 | C25 | C24 | 112.2° | 110.1° |
| C25 | C26 | C27 | 112.6° | 108.5° |
| C25 | C26 | O31 | 103.2° | 109.6° |
| C25 | C26 | H13 | 110.1° | 109.8° |
| C26 | C25 | H15 | 108.8° | 109.4° |
| C26 | C25 | H16 | 108.8° | 109.3° |
| C25 | C24 | C23 | 120.2° | 118.1° |
| C25 | C24 | C29 | 122.2° | 123.8° |
| C24 | C25 | H15 | 108.8° | 109.4° |
| C24 | C25 | H16 | 108.8° | 109.3° |
| C4 | C5 | C9 | 104.5° | 104.3° |
| C5 | C4 | C7 | 106.4° | 103.5° |
| C5 | C4 | H2 | 105.8° | 110.5° |
| C5 | C9 | C12 | 121.0° | 110.0° |
| C5 | C9 | C8 | 106.6° | 106.6° |
| C5 | C9 | H26 | 104.3° | 110.0° |
| C27 | C26 | O31 | 108.4° | 109.6° |
| C26 | C27 | C32 | 114.6° | 109.7° |
| C26 | C27 | C28 | 109.2° | 108.5° |
| C26 | C27 | H12 | 108.2° | 109.8° |
| C27 | C26 | H13 | 110.3° | 109.6° |
| O31 | C26 | H13 | 112.1° | 109.6° |
| C26 | O31 | H14 | 109.5° | 114.0° |
| C34 | C33 | C32 | 113.6° | 109.5° |
| C33 | C34 | O35 | 107.4° | 109.5° |
| C33 | C34 | H6 | 110.0° | 109.5° |
| C33 | C34 | H7 | 110.0° | 109.5° |
| C34 | C33 | H8 | 108.4° | 109.5° |
| C34 | C33 | H9 | 108.4° | 109.5° |
| C33 | C32 | C27 | 112.5° | 109.5° |
| C32 | C33 | H8 | 108.4° | 109.5° |
| C32 | C33 | H9 | 108.4° | 109.4° |
| C33 | C32 | H10 | 108.7° | 109.5° |
| C33 | C32 | H11 | 108.7° | 109.4° |
| C4 | C7 | C8 | 100.3° | 104.2° |
| C7 | C4 | H2 | 105.8° | 109.9° |
| C4 | C7 | H22 | 111.7° | 110.5° |
| C4 | C7 | H23 | 111.7° | 110.5° |
| C17 | C18 | C19 | 117.0° | 109.5° |
| C17 | C18 | O21 | 109.4° | 109.5° |
| C18 | C17 | C16 | 115.3° | 109.5° |
| C18 | C17 | H40 | 108.0° | 109.5° |
| C18 | C17 | H41 | 108.0° | 109.5° |
| C19 | C18 | O21 | 107.1° | 109.5° |
| C18 | C19 | H46 | 109.5° | 109.5° |
| C18 | C19 | H47 | 109.5° | 109.5° |
| C18 | C19 | H48 | 109.4° | 109.5° |
| C18 | O21 | H42 | 109.5° | 114.0° |
| C17 | C16 | C15 | 113.1° | 109.5° |
| C17 | C16 | H38 | 108.5° | 109.5° |
| C17 | C16 | H39 | 108.5° | 109.5° |
| C16 | C17 | H40 | 108.0° | 109.4° |
| C16 | C17 | H41 | 108.0° | 109.5° |
| C23 | C24 | C29 | 117.5° | 118.1° |
| C24 | C23 | H20 | 119.2° | 120.0° |
| C34 | O35 | H5 | 109.5° | 114.0° |
| O35 | C34 | H6 | 110.0° | 109.5° |
| O35 | C34 | H7 | 110.0° | 109.5° |
| C24 | C29 | C28 | 123.3° | 123.7° |
| C24 | C29 | H19 | 118.4° | 118.2° |
| C32 | C27 | C28 | 108.5° | 109.6° |
| C27 | C32 | H10 | 108.7° | 109.5° |
| C27 | C32 | H11 | 108.7° | 109.5° |
| C32 | C27 | H12 | 107.9° | 109.6° |
| C27 | C28 | C29 | 113.2° | 110.2° |
| C27 | C28 | O30 | 110.1° | 109.4° |
| C28 | C27 | H12 | 108.3° | 109.6° |
| C27 | C28 | H17 | 108.4° | 109.3° |
| C12 | C9 | C8 | 114.8° | 110.0° |
| C9 | C12 | C15 | 115.3° | 109.5° |
| C9 | C12 | C14 | 110.6° | 109.4° |
| C12 | C9 | H26 | 104.0° | 110.0° |
| C9 | C12 | H32 | 106.6° | 109.5° |
| C9 | C8 | C7 | 106.5° | 106.7° |
| C9 | C8 | H24 | 110.2° | 110.0° |
| C9 | C8 | H25 | 110.2° | 110.0° |
| C8 | C9 | H26 | 104.2° | 110.1° |
| C15 | C12 | C14 | 109.8° | 109.5° |
| C12 | C15 | C16 | 114.3° | 109.5° |
| C15 | C12 | H32 | 107.1° | 109.5° |
| C12 | C15 | H36 | 108.2° | 109.4° |
| C12 | C15 | H37 | 108.2° | 109.5° |
| C14 | C12 | H32 | 107.1° | 109.5° |
| C12 | C14 | H33 | 109.5° | 109.5° |
| C12 | C14 | H34 | 109.5° | 109.5° |
| C12 | C14 | H35 | 109.5° | 109.5° |
| C8 | C7 | H22 | 111.7° | 110.5° |
| C8 | C7 | H23 | 111.7° | 110.5° |
| C7 | C8 | H24 | 110.2° | 110.0° |
| C7 | C8 | H25 | 110.2° | 110.0° |
| C16 | C15 | H36 | 108.3° | 109.5° |
| C16 | C15 | H37 | 108.3° | 109.5° |
| C15 | C16 | H38 | 108.6° | 109.4° |
| C15 | C16 | H39 | 108.6° | 109.4° |
| C29 | C28 | O30 | 107.0° | 109.4° |
| C29 | C28 | H17 | 108.4° | 109.3° |
| C28 | C29 | H19 | 118.3° | 118.1° |
| O30 | C28 | H17 | 109.7° | 109.4° |
| C28 | O30 | H18 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C34 | H7 | 109.5° | 109.5° |
| H8 | C33 | H9 | 109.5° | 109.5° |
| H10 | C32 | H11 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.3° |
| H22 | C7 | H23 | 109.5° | 110.5° |
| H24 | C8 | H25 | 109.5° | 110.0° |
| H27 | C10 | H28 | 109.4° | 109.5° |
| H27 | C10 | H29 | 109.5° | 109.4° |
| H28 | C10 | H29 | 109.5° | 109.4° |
| H30 | C1 | H31 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.4° | 109.4° |
| H33 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H36 | C15 | H37 | 109.5° | 109.5° |
| H38 | C16 | H39 | 109.5° | 109.5° |
| H40 | C17 | H41 | 109.5° | 109.5° |
| H43 | C20 | H44 | 109.5° | 109.5° |
| H43 | C20 | H45 | 109.5° | 109.4° |
| H44 | C20 | H45 | 109.4° | 109.5° |
| H46 | C19 | H47 | 109.5° | 109.5° |
| H46 | C19 | H48 | 109.5° | 109.5° |
| H47 | C19 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H30 | 120.3° | 120.3° |
| C2 | C1 | C6 | H31 | 120.3° | 119.8° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 39.6° | 53.4° |
| C1 | C2 | C3 | C22 | 179.5° | 179.8° |
| C1 | C2 | C3 | C4 | 4.1° | 0.3° |
| C2 | C1 | C6 | H3 | 81.2° | 173.5° |
| C2 | C1 | C6 | H4 | 160.5° | 66.5° |
| C2 | C1 | H30 | H31 | 118.9° | 120.0° |
| C6 | C1 | C2 | C3 | 9.3° | 22.0° |
| C1 | C6 | C5 | C10 | 67.8° | 59.7° |
| C1 | C6 | C5 | H3 | 120.9° | 120.1° |
| C1 | C6 | C5 | H4 | 120.8° | 119.8° |
| C1 | C6 | C5 | C4 | 54.7° | 64.3° |
| C1 | C6 | C5 | C9 | 168.4° | 177.2° |
| C6 | C1 | C2 | H1 | 170.7° | 157.8° |
| C1 | C6 | H3 | H4 | 117.4° | 119.8° |
| C6 | C1 | H30 | H31 | 118.9° | 119.6° |
| C2 | C3 | C22 | C4 | 175.5° | 179.9° |
| C2 | C3 | C22 | C23 | 175.6° | 180.0° |
| C2 | C3 | C4 | C5 | 12.3° | 9.4° |
| C2 | C3 | C4 | C7 | 113.6° | 105.6° |
| C2 | C3 | C4 | H2 | 129.3° | 132.8° |
| C2 | C3 | C22 | H21 | 4.4° | 0.1° |
| C3 | C2 | C1 | H30 | 129.6° | 142.4° |
| C3 | C2 | C1 | H31 | 111.0° | 97.6° |
| C10 | C5 | C6 | C4 | 122.5° | 124.0° |
| C10 | C5 | C6 | C9 | 123.9° | 123.1° |
| C10 | C5 | C4 | C3 | 80.5° | 83.5° |
| C10 | C5 | C4 | C9 | 122.9° | 120.2° |
| C10 | C5 | C4 | C7 | 148.9° | 157.2° |
| C10 | C5 | C9 | C12 | 9.2° | 23.7° |
| C10 | C5 | C9 | C8 | 124.5° | 143.0° |
| C10 | C5 | C4 | H2 | 36.7° | 39.5° |
| C10 | C5 | C6 | H3 | 171.4° | 60.4° |
| C10 | C5 | C6 | H4 | 53.1° | 179.5° |
| C10 | C5 | C9 | H26 | 125.6° | 97.7° |
| C5 | C10 | H27 | H28 | 120.0° | 120.1° |
| C5 | C10 | H27 | H29 | 120.0° | 120.0° |
| C5 | C10 | H28 | H29 | 120.0° | 120.0° |
| C20 | C18 | C17 | C19 | 121.1° | 120.0° |
| C20 | C18 | C17 | O21 | 117.0° | 120.0° |
| C20 | C18 | C19 | O21 | 119.8° | 120.0° |
| C20 | C18 | C17 | C16 | 175.7° | 175.0° |
| C20 | C18 | C17 | H40 | 63.4° | 65.0° |
| C20 | C18 | C17 | H41 | 54.9° | 55.0° |
| C20 | C18 | O21 | H42 | 180.0° | 60.0° |
| C18 | C20 | H43 | H44 | 120.0° | 120.0° |
| C18 | C20 | H43 | H45 | 120.0° | 120.0° |
| C18 | C20 | H44 | H45 | 120.0° | 120.0° |
| C20 | C18 | C19 | H46 | 180.0° | 180.0° |
| C20 | C18 | C19 | H47 | 60.0° | 60.0° |
| C20 | C18 | C19 | H48 | 60.0° | 60.0° |
| C6 | C5 | C4 | C3 | 40.1° | 40.8° |
| C6 | C5 | C4 | C9 | 116.6° | 115.5° |
| C6 | C5 | C4 | C7 | 90.6° | 78.6° |
| C6 | C5 | C9 | C12 | 111.9° | 147.1° |
| C6 | C5 | C9 | C8 | 114.4° | 93.6° |
| C6 | C5 | C4 | H2 | 157.2° | 163.8° |
| C5 | C6 | H3 | H4 | 117.4° | 120.0° |
| C6 | C5 | C9 | H26 | 4.5° | 25.7° |
| C6 | C5 | C10 | H27 | 180.0° | 176.5° |
| C6 | C5 | C10 | H28 | 60.0° | 63.4° |
| C6 | C5 | C10 | H29 | 60.0° | 56.5° |
| C5 | C6 | C1 | H30 | 160.0° | 173.7° |
| C5 | C6 | C1 | H31 | 80.7° | 66.4° |
| C3 | C22 | C23 | H21 | 180.0° | 179.9° |
| C22 | C3 | C4 | C5 | 163.0° | 170.5° |
| C22 | C3 | C4 | C7 | 71.2° | 74.5° |
| C3 | C22 | C23 | C24 | 177.8° | 180.0° |
| C22 | C3 | C2 | H1 | 0.5° | 0.0° |
| C22 | C3 | C4 | H2 | 46.0° | 47.2° |
| C3 | C22 | C23 | H20 | 2.2° | 0.1° |
| C4 | C3 | C22 | C23 | 0.1° | 0.1° |
| C3 | C4 | C5 | C7 | 130.6° | 119.3° |
| C3 | C4 | C5 | H2 | 117.2° | 123.0° |
| C3 | C4 | C5 | C9 | 156.7° | 156.3° |
| C3 | C4 | C7 | H2 | 117.3° | 121.7° |
| C3 | C4 | C7 | C8 | 169.3° | 157.3° |
| C4 | C3 | C2 | H1 | 175.9° | 180.0° |
| C4 | C3 | C22 | H21 | 179.9° | 180.0° |
| C3 | C4 | C7 | H22 | 72.2° | 84.0° |
| C3 | C4 | C7 | H23 | 50.8° | 38.6° |
| C22 | C23 | C24 | C25 | 7.8° | 0.1° |
| C22 | C23 | C24 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | C29 | 174.9° | 180.0° |
| C26 | C25 | C24 | H15 | 120.4° | 120.2° |
| C26 | C25 | C24 | H16 | 120.4° | 120.2° |
| C25 | C26 | C27 | O31 | 113.6° | 119.7° |
| C25 | C26 | C27 | H13 | 123.4° | 119.9° |
| C25 | C26 | O31 | H13 | 118.5° | 120.6° |
| C26 | C25 | C24 | C23 | 175.2° | 162.8° |
| C26 | C25 | C24 | C29 | 7.7° | 17.2° |
| C25 | C26 | C27 | C32 | 177.2° | 172.2° |
| C25 | C26 | C27 | C28 | 60.9° | 68.1° |
| C25 | C26 | C27 | H12 | 56.8° | 51.7° |
| C25 | C26 | O31 | H14 | 180.0° | 60.9° |
| C26 | C25 | H15 | H16 | 118.8° | 119.7° |
| C24 | C25 | C26 | C27 | 41.2° | 49.8° |
| C24 | C25 | C26 | O31 | 75.5° | 69.9° |
| C25 | C24 | C23 | C29 | 177.3° | 180.0° |
| C25 | C24 | C29 | C28 | 6.0° | 0.4° |
| C24 | C25 | C26 | H13 | 164.7° | 169.5° |
| C24 | C25 | H15 | H16 | 118.7° | 119.7° |
| C25 | C24 | C29 | H19 | 174.0° | 179.6° |
| C25 | C24 | C23 | H20 | 172.2° | 180.0° |
| C5 | C4 | C7 | H2 | 112.2° | 118.1° |
| C4 | C5 | C9 | C12 | 131.2° | 96.5° |
| C4 | C5 | C9 | C8 | 2.5° | 22.7° |
| C5 | C4 | C7 | C8 | 38.8° | 37.1° |
| C4 | C5 | C6 | H3 | 66.2° | 175.6° |
| C4 | C5 | C6 | H4 | 175.5° | 55.6° |
| C5 | C4 | C7 | H22 | 157.3° | 155.8° |
| C5 | C4 | C7 | H23 | 79.7° | 81.6° |
| C4 | C5 | C9 | H26 | 112.5° | 142.1° |
| C4 | C5 | C10 | H27 | 59.0° | 53.6° |
| C4 | C5 | C10 | H28 | 179.0° | 173.7° |
| C4 | C5 | C10 | H29 | 61.0° | 66.3° |
| C9 | C5 | C4 | C7 | 26.0° | 36.9° |
| C5 | C9 | C12 | C8 | 130.2° | 117.2° |
| C5 | C9 | C12 | H26 | 116.5° | 121.4° |
| C5 | C9 | C8 | H26 | 110.0° | 119.3° |
| C5 | C9 | C12 | C15 | 78.7° | 66.6° |
| C5 | C9 | C12 | C14 | 156.0° | 173.4° |
| C5 | C9 | C8 | C7 | 22.1° | 0.2° |
| C9 | C5 | C4 | H2 | 86.2° | 80.7° |
| C9 | C5 | C6 | H3 | 47.5° | 62.6° |
| C9 | C5 | C6 | H4 | 70.8° | 57.4° |
| C5 | C9 | C8 | H24 | 141.7° | 119.1° |
| C5 | C9 | C8 | H25 | 97.4° | 119.5° |
| C9 | C5 | C10 | H27 | 58.7° | 62.3° |
| C9 | C5 | C10 | H28 | 61.3° | 57.8° |
| C9 | C5 | C10 | H29 | 178.7° | 177.7° |
| C5 | C9 | C12 | H32 | 40.0° | 53.4° |
| C27 | C26 | O31 | H13 | 121.9° | 120.3° |
| C26 | C27 | C32 | C33 | 99.8° | 175.9° |
| C26 | C27 | C32 | C28 | 122.3° | 119.1° |
| C26 | C27 | C32 | H12 | 120.6° | 120.6° |
| C26 | C27 | C28 | H12 | 117.6° | 119.8° |
| C26 | C27 | C28 | C29 | 46.2° | 49.7° |
| C26 | C27 | C28 | O30 | 165.8° | 170.0° |
| C26 | C27 | C32 | H10 | 139.8° | 64.0° |
| C26 | C27 | C32 | H11 | 20.6° | 56.0° |
| C27 | C26 | O31 | H14 | 60.4° | 180.0° |
| C27 | C26 | C25 | H15 | 161.6° | 170.0° |
| C27 | C26 | C25 | H16 | 79.2° | 70.4° |
| C26 | C27 | C28 | H17 | 74.2° | 70.3° |
| O31 | C26 | C27 | C32 | 69.3° | 68.1° |
| O31 | C26 | C27 | C28 | 52.7° | 51.6° |
| O31 | C26 | C27 | H12 | 170.3° | 171.4° |
| O31 | C26 | C25 | H15 | 44.9° | 50.3° |
| O31 | C26 | C25 | H16 | 164.1° | 169.9° |
| C34 | C33 | C32 | H8 | 120.6° | 120.1° |
| C34 | C33 | C32 | H9 | 120.6° | 120.0° |
| C33 | C34 | O35 | H6 | 119.7° | 120.0° |
| C33 | C34 | O35 | H7 | 119.7° | 120.0° |
| C34 | C33 | C32 | C27 | 174.2° | 180.0° |
| C33 | C34 | O35 | H5 | 180.0° | 180.0° |
| C33 | C34 | H6 | H7 | 120.9° | 120.0° |
| C34 | C33 | H8 | H9 | 118.1° | 120.0° |
| C34 | C33 | C32 | H10 | 53.8° | 59.9° |
| C34 | C33 | C32 | H11 | 65.3° | 60.0° |
| C32 | C33 | C34 | O35 | 74.5° | 180.0° |
| C33 | C32 | C27 | H10 | 120.4° | 120.1° |
| C33 | C32 | C27 | H11 | 120.4° | 120.0° |
| C33 | C32 | C27 | C28 | 137.9° | 65.0° |
| C32 | C33 | C34 | H6 | 165.8° | 60.0° |
| C32 | C33 | C34 | H7 | 45.2° | 60.0° |
| C32 | C33 | H8 | H9 | 118.1° | 119.9° |
| C33 | C32 | H10 | H11 | 118.6° | 119.9° |
| C33 | C32 | C27 | H12 | 20.8° | 55.3° |
| C4 | C7 | C8 | C9 | 36.9° | 23.0° |
| C4 | C7 | C8 | H22 | 118.5° | 118.6° |
| C4 | C7 | C8 | H23 | 118.5° | 118.7° |
| C4 | C7 | H22 | H23 | 124.3° | 122.6° |
| C4 | C7 | C8 | H24 | 156.4° | 96.3° |
| C4 | C7 | C8 | H25 | 82.6° | 142.3° |
| C17 | C18 | C19 | O21 | 123.1° | 120.0° |
| C18 | C17 | C16 | H40 | 120.9° | 120.0° |
| C18 | C17 | C16 | H41 | 120.8° | 120.0° |
| C18 | C17 | C16 | C15 | 165.5° | 180.0° |
| C18 | C17 | C16 | H38 | 74.0° | 60.0° |
| C18 | C17 | C16 | H39 | 44.9° | 60.0° |
| C18 | C17 | H40 | H41 | 117.3° | 120.0° |
| C17 | C18 | O21 | H42 | 67.6° | 60.0° |
| C17 | C18 | C20 | H43 | 180.0° | 60.0° |
| C17 | C18 | C20 | H44 | 60.0° | 180.0° |
| C17 | C18 | C20 | H45 | 60.0° | 60.0° |
| C17 | C18 | C19 | H46 | 62.9° | 60.0° |
| C17 | C18 | C19 | H47 | 177.1° | 180.0° |
| C17 | C18 | C19 | H48 | 57.1° | 60.0° |
| C19 | C18 | C17 | C16 | 63.2° | 55.0° |
| C19 | C18 | C17 | H40 | 57.6° | 175.0° |
| C19 | C18 | C17 | H41 | 175.9° | 65.0° |
| C19 | C18 | O21 | H42 | 60.1° | 180.0° |
| C19 | C18 | C20 | H43 | 54.5° | 60.0° |
| C19 | C18 | C20 | H44 | 174.5° | 60.0° |
| C19 | C18 | C20 | H45 | 65.5° | 180.0° |
| C18 | C19 | H46 | H47 | 120.0° | 120.0° |
| C18 | C19 | H46 | H48 | 120.0° | 120.0° |
| C18 | C19 | H47 | H48 | 120.0° | 120.0° |
| O21 | C18 | C17 | C16 | 58.7° | 65.0° |
| O21 | C18 | C17 | H40 | 179.6° | 55.0° |
| O21 | C18 | C17 | H41 | 62.1° | 175.0° |
| O21 | C18 | C20 | H43 | 63.5° | 180.0° |
| O21 | C18 | C20 | H44 | 56.5° | 60.0° |
| O21 | C18 | C20 | H45 | 176.5° | 60.0° |
| O21 | C18 | C19 | H46 | 60.2° | 60.0° |
| O21 | C18 | C19 | H47 | 59.8° | 60.0° |
| O21 | C18 | C19 | H48 | 179.8° | 180.0° |
| C17 | C16 | C15 | C12 | 74.2° | 180.0° |
| C17 | C16 | C15 | H38 | 120.5° | 120.0° |
| C17 | C16 | C15 | H39 | 120.5° | 120.1° |
| C17 | C16 | C15 | H36 | 46.6° | 60.0° |
| C17 | C16 | C15 | H37 | 165.1° | 60.0° |
| C17 | C16 | H38 | H39 | 118.3° | 120.1° |
| C16 | C17 | H40 | H41 | 117.4° | 120.0° |
| C23 | C24 | C29 | C28 | 171.2° | 179.6° |
| C23 | C24 | C25 | H15 | 54.8° | 42.6° |
| C23 | C24 | C25 | H16 | 64.4° | 77.0° |
| C23 | C24 | C29 | H19 | 8.8° | 0.4° |
| C24 | C23 | C22 | H21 | 2.3° | 0.1° |
| O35 | C34 | H6 | H7 | 121.0° | 120.0° |
| O35 | C34 | C33 | H8 | 164.9° | 60.0° |
| O35 | C34 | C33 | H9 | 46.1° | 60.0° |
| C24 | C29 | C28 | C27 | 14.2° | 17.1° |
| C24 | C29 | C28 | H19 | 180.0° | 180.0° |
| C24 | C29 | C28 | O30 | 135.7° | 137.4° |
| C29 | C24 | C25 | H15 | 128.1° | 137.4° |
| C29 | C24 | C25 | H16 | 112.8° | 103.0° |
| C24 | C29 | C28 | H17 | 106.1° | 103.0° |
| C29 | C24 | C23 | H20 | 5.1° | 0.1° |
| C32 | C27 | C28 | H12 | 116.8° | 120.4° |
| C32 | C27 | C28 | C29 | 171.7° | 169.5° |
| C32 | C27 | C28 | O30 | 68.6° | 70.3° |
| C27 | C32 | C33 | H8 | 65.1° | 59.9° |
| C27 | C32 | C33 | H9 | 53.6° | 60.0° |
| C27 | C32 | H10 | H11 | 118.6° | 120.0° |
| C32 | C27 | C26 | H13 | 53.8° | 52.3° |
| C32 | C27 | C28 | H17 | 51.4° | 49.4° |
| C27 | C28 | C29 | O30 | 121.4° | 120.2° |
| C27 | C28 | C29 | H17 | 120.3° | 120.1° |
| C27 | C28 | O30 | H17 | 119.2° | 119.7° |
| C28 | C27 | C32 | H10 | 17.4° | 55.1° |
| C28 | C27 | C32 | H11 | 101.7° | 175.0° |
| C28 | C27 | C26 | H13 | 175.7° | 172.0° |
| C27 | C28 | O30 | H18 | 180.0° | 180.0° |
| C27 | C28 | C29 | H19 | 165.8° | 162.9° |
| C12 | C9 | C8 | H26 | 113.1° | 121.4° |
| C9 | C12 | C15 | C14 | 125.7° | 119.9° |
| C9 | C12 | C15 | H32 | 118.4° | 120.0° |
| C9 | C12 | C14 | H32 | 115.8° | 120.0° |
| C12 | C9 | C8 | C7 | 159.1° | 119.5° |
| C9 | C12 | C15 | C16 | 172.8° | 174.4° |
| C12 | C9 | C8 | H24 | 81.4° | 0.1° |
| C12 | C9 | C8 | H25 | 39.5° | 121.3° |
| C9 | C12 | C14 | H33 | 180.0° | 54.9° |
| C9 | C12 | C14 | H34 | 60.0° | 174.9° |
| C9 | C12 | C14 | H35 | 60.0° | 65.1° |
| C9 | C12 | C15 | H36 | 52.1° | 54.4° |
| C9 | C12 | C15 | H37 | 66.4° | 65.6° |
| C8 | C9 | C12 | C15 | 51.5° | 50.6° |
| C8 | C9 | C12 | C14 | 73.7° | 69.4° |
| C9 | C8 | C7 | H24 | 119.5° | 119.3° |
| C9 | C8 | C7 | H25 | 119.5° | 119.3° |
| C9 | C8 | C7 | H22 | 155.4° | 141.7° |
| C9 | C8 | C7 | H23 | 81.6° | 95.6° |
| C9 | C8 | H24 | H25 | 121.4° | 121.4° |
| C8 | C9 | C12 | H32 | 170.2° | 170.6° |
| C15 | C12 | C14 | H32 | 115.9° | 120.0° |
| C12 | C15 | C16 | H36 | 120.7° | 120.0° |
| C12 | C15 | C16 | H37 | 120.7° | 120.0° |
| C15 | C12 | C9 | H26 | 164.8° | 172.0° |
| C15 | C12 | C14 | H33 | 51.7° | 174.9° |
| C15 | C12 | C14 | H34 | 68.3° | 65.1° |
| C15 | C12 | C14 | H35 | 171.7° | 54.9° |
| C12 | C15 | H36 | H37 | 117.8° | 120.0° |
| C12 | C15 | C16 | H38 | 46.4° | 60.0° |
| C12 | C15 | C16 | H39 | 165.3° | 59.9° |
| C14 | C12 | C15 | C16 | 61.5° | 65.7° |
| C14 | C12 | C9 | H26 | 39.5° | 52.1° |
| C12 | C14 | H33 | H34 | 120.0° | 120.0° |
| C12 | C14 | H33 | H35 | 120.0° | 120.0° |
| C12 | C14 | H34 | H35 | 120.0° | 120.0° |
| C14 | C12 | C15 | H36 | 177.8° | 174.3° |
| C14 | C12 | C15 | H37 | 59.2° | 54.4° |
| C8 | C7 | C4 | H2 | 73.4° | 81.0° |
| C8 | C7 | H22 | H23 | 124.3° | 122.7° |
| C7 | C8 | H24 | H25 | 121.4° | 121.3° |
| C7 | C8 | C9 | H26 | 87.9° | 119.1° |
| C16 | C15 | C12 | H32 | 54.4° | 54.4° |
| C16 | C15 | H36 | H37 | 117.8° | 120.0° |
| C15 | C16 | H38 | H39 | 118.4° | 119.9° |
| C15 | C16 | C17 | H40 | 44.6° | 60.0° |
| C15 | C16 | C17 | H41 | 73.7° | 60.0° |
| C29 | C28 | O30 | H17 | 117.4° | 119.6° |
| C29 | C28 | C27 | H12 | 71.4° | 70.1° |
| C29 | C28 | O30 | H18 | 56.6° | 59.3° |
| O30 | C28 | C27 | H12 | 48.3° | 50.1° |
| O30 | C28 | C29 | H19 | 44.3° | 42.6° |
| H1 | C2 | C1 | H30 | 50.3° | 37.3° |
| H1 | C2 | C1 | H31 | 69.0° | 82.7° |
| H2 | C4 | C7 | H22 | 45.1° | 37.7° |
| H2 | C4 | C7 | H23 | 168.1° | 160.3° |
| H3 | C6 | C1 | H30 | 39.2° | 66.1° |
| H3 | C6 | C1 | H31 | 158.5° | 53.7° |
| H4 | C6 | C1 | H30 | 79.2° | 53.8° |
| H4 | C6 | C1 | H31 | 40.1° | 173.7° |
| H5 | O35 | C34 | H6 | 60.3° | 59.9° |
| H5 | O35 | C34 | H7 | 60.3° | 60.0° |
| H6 | C34 | C33 | H8 | 45.2° | NaN° |
| H6 | C34 | C33 | H9 | 73.5° | 60.0° |
| H7 | C34 | C33 | H8 | 75.4° | 60.0° |
| H7 | C34 | C33 | H9 | 165.8° | 180.0° |
| H8 | C33 | C32 | H10 | 174.4° | 180.0° |
| H8 | C33 | C32 | H11 | 55.3° | 60.1° |
| H9 | C33 | C32 | H10 | 66.8° | 60.1° |
| H9 | C33 | C32 | H11 | 174.1° | 180.0° |
| H10 | C32 | C27 | H12 | 99.6° | 175.5° |
| H11 | C32 | C27 | H12 | 141.2° | 64.6° |
| H12 | C27 | C26 | H13 | 66.7° | 68.2° |
| H12 | C27 | C28 | H17 | 168.2° | 169.8° |
| H13 | C26 | O31 | H14 | 61.5° | 59.7° |
| H13 | C26 | C25 | H15 | 74.9° | 70.2° |
| H13 | C26 | C25 | H16 | 44.3° | 49.4° |
| H17 | C28 | O30 | H18 | 60.8° | 60.3° |
| H17 | C28 | C29 | H19 | 73.9° | 77.1° |
| H20 | C23 | C22 | H21 | 177.8° | 180.0° |
| H22 | C7 | C8 | H24 | 85.1° | 22.4° |
| H22 | C7 | C8 | H25 | 35.9° | 99.0° |
| H23 | C7 | C8 | H24 | 37.9° | 145.0° |
| H23 | C7 | C8 | H25 | 158.9° | 23.7° |
| H24 | C8 | C9 | H26 | 31.7° | 121.6° |
| H25 | C8 | C9 | H26 | 152.6° | 0.2° |
| H26 | C9 | C12 | H32 | 76.5° | 68.0° |
| H27 | C10 | H28 | H29 | 120.0° | 119.9° |
| H32 | C12 | C14 | H33 | 64.2° | 65.1° |
| H32 | C12 | C14 | H34 | 175.8° | 54.9° |
| H32 | C12 | C14 | H35 | 55.8° | 174.9° |
| H32 | C12 | C15 | H36 | 66.3° | 65.6° |
| H32 | C12 | C15 | H37 | 175.1° | 174.4° |
| H33 | C14 | H34 | H35 | 120.0° | 120.0° |
| H36 | C15 | C16 | H38 | 167.1° | 180.0° |
| H36 | C15 | C16 | H39 | 74.0° | 60.0° |
| H37 | C15 | C16 | H38 | 74.3° | 60.0° |
| H37 | C15 | C16 | H39 | 44.6° | 180.0° |
| H38 | C16 | C17 | H40 | 165.2° | 180.0° |
| H38 | C16 | C17 | H41 | 46.8° | 60.0° |
| H39 | C16 | C17 | H40 | 76.0° | 60.0° |
| H39 | C16 | C17 | H41 | 165.7° | 180.0° |
| H43 | C20 | H44 | H45 | 120.0° | 120.0° |
| H46 | C19 | H47 | H48 | 120.0° | 120.0° |
