A1IQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C28 | sing | 1.53Å | 1.54Å | |
| C32 | C28 | sing | 1.53Å | 1.53Å | |
| C33 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | SI27 | sing | 1.86Å | 1.88Å | |
| C30 | SI27 | sing | 1.86Å | 1.86Å | |
| SI27 | C29 | sing | 1.86Å | 1.86Å | |
| SI27 | C26 | sing | 1.90Å | 1.84Å | |
| C26 | C25 | trip | 1.17Å | 1.20Å | |
| C25 | C24 | sing | 1.47Å | 1.46Å | |
| C21 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.54Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | doub | 1.33Å | 1.33Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C9 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.52Å | 1.54Å | |
| C5 | C4 | sing | 1.56Å | 1.55Å | |
| C17 | C12 | sing | 1.48Å | 1.49Å | |
| C17 | C16 | sing | 1.52Å | 1.51Å | |
| O19 | C16 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.52Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.52Å | 1.51Å | |
| C14 | O20 | sing | 1.43Å | 1.44Å | |
| C9 | C8 | sing | 1.55Å | 1.56Å | |
| C11 | C10 | sing | 1.46Å | 1.43Å | |
| C3 | C10 | doub | 1.33Å | 1.33Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C4 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.55Å | 1.56Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| O19 | H47 | sing | 0.97Å | 0.95Å | |
| O20 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C28 | C32 | 108.2° | 109.5° |
| C31 | C28 | C33 | 111.2° | 109.4° |
| C31 | C28 | SI27 | 109.7° | 109.5° |
| C28 | C31 | H38 | 109.5° | 109.5° |
| C28 | C31 | H39 | 109.4° | 109.5° |
| C28 | C31 | H40 | 109.5° | 109.5° |
| C32 | C28 | C33 | 108.7° | 109.5° |
| C32 | C28 | SI27 | 110.3° | 109.5° |
| C28 | C32 | H41 | 109.5° | 109.5° |
| C28 | C32 | H42 | 109.5° | 109.5° |
| C28 | C32 | H43 | 109.5° | 109.4° |
| C33 | C28 | SI27 | 108.7° | 109.5° |
| C28 | C33 | H44 | 109.5° | 109.5° |
| C28 | C33 | H45 | 109.5° | 109.5° |
| C28 | C33 | H46 | 109.4° | 109.5° |
| C28 | SI27 | C30 | 111.1° | 109.4° |
| C28 | SI27 | C29 | 111.3° | 109.5° |
| C28 | SI27 | C26 | 106.2° | 109.5° |
| C30 | SI27 | C29 | 109.4° | 109.5° |
| C30 | SI27 | C26 | 109.0° | 109.5° |
| SI27 | C30 | H35 | 109.5° | 109.5° |
| SI27 | C30 | H36 | 109.5° | 109.5° |
| SI27 | C30 | H37 | 109.5° | 109.5° |
| C29 | SI27 | C26 | 109.8° | 109.5° |
| SI27 | C29 | H32 | 109.5° | 109.5° |
| SI27 | C29 | H33 | 109.5° | 109.4° |
| SI27 | C29 | H34 | 109.5° | 109.5° |
| SI27 | C26 | C25 | 170.0° | 180.0° |
| C26 | C25 | C24 | 170.9° | 180.0° |
| C25 | C24 | C22 | 111.5° | 109.5° |
| C25 | C24 | H30 | 108.9° | 109.5° |
| C25 | C24 | H31 | 109.0° | 109.5° |
| C21 | C5 | C6 | 110.5° | 108.8° |
| C21 | C5 | C9 | 113.1° | 109.3° |
| C21 | C5 | C4 | 109.5° | 109.0° |
| C5 | C21 | H23 | 109.5° | 109.5° |
| C5 | C21 | H24 | 109.5° | 109.5° |
| C5 | C21 | H25 | 109.5° | 109.4° |
| C6 | C1 | C2 | 111.7° | 112.0° |
| C1 | C6 | C5 | 111.9° | 107.5° |
| C6 | C1 | H6 | 108.9° | 109.0° |
| C6 | C1 | H7 | 108.9° | 109.0° |
| C1 | C6 | H8 | 108.9° | 109.8° |
| C1 | C6 | H9 | 108.9° | 109.8° |
| C1 | C2 | C3 | 109.8° | 110.7° |
| C2 | C1 | H6 | 108.9° | 108.9° |
| C2 | C1 | H7 | 109.0° | 109.0° |
| C1 | C2 | H11 | 109.4° | 109.2° |
| C1 | C2 | H12 | 109.4° | 109.2° |
| C18 | C17 | C12 | 124.2° | 121.6° |
| C18 | C17 | C16 | 121.1° | 121.8° |
| C17 | C18 | H21 | 120.0° | 120.0° |
| C17 | C18 | H22 | 120.0° | 120.0° |
| C24 | C22 | C23 | 104.9° | 109.5° |
| C24 | C22 | C9 | 112.0° | 109.5° |
| C24 | C22 | H26 | 109.0° | 109.5° |
| C22 | C24 | H30 | 109.0° | 109.5° |
| C22 | C24 | H31 | 109.0° | 109.5° |
| C6 | C5 | C9 | 117.4° | 118.3° |
| C6 | C5 | C4 | 106.3° | 107.6° |
| C5 | C6 | H8 | 108.9° | 109.8° |
| C5 | C6 | H9 | 108.9° | 109.8° |
| C23 | C22 | C9 | 112.9° | 109.5° |
| C23 | C22 | H26 | 109.0° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.4° | 109.4° |
| C22 | C9 | C5 | 119.9° | 110.4° |
| C22 | C9 | C8 | 113.1° | 110.3° |
| C22 | C9 | H5 | 106.3° | 110.3° |
| C9 | C22 | H26 | 108.8° | 109.4° |
| C9 | C5 | C4 | 99.1° | 103.3° |
| C5 | C9 | C8 | 104.2° | 105.1° |
| C5 | C9 | H5 | 106.2° | 110.3° |
| C5 | C4 | C3 | 112.1° | 105.5° |
| C5 | C4 | C7 | 103.7° | 101.2° |
| C5 | C4 | H10 | 106.3° | 110.9° |
| C12 | C17 | C16 | 114.6° | 116.6° |
| C17 | C12 | C13 | 113.7° | 116.8° |
| C17 | C12 | C11 | 125.4° | 121.6° |
| C17 | C16 | O19 | 113.9° | 109.9° |
| C17 | C16 | C15 | 111.5° | 108.3° |
| C17 | C16 | H20 | 107.2° | 109.6° |
| O19 | C16 | C15 | 108.7° | 109.7° |
| O19 | C16 | H20 | 108.1° | 109.7° |
| C16 | O19 | H47 | 109.5° | 114.0° |
| C12 | C13 | C14 | 112.6° | 108.4° |
| C13 | C12 | C11 | 120.5° | 121.6° |
| C12 | C13 | H15 | 108.7° | 109.7° |
| C12 | C13 | H16 | 108.7° | 109.7° |
| C13 | C14 | C15 | 110.2° | 109.8° |
| C13 | C14 | O20 | 109.7° | 109.4° |
| C14 | C13 | H15 | 108.7° | 109.7° |
| C14 | C13 | H16 | 108.7° | 109.7° |
| C13 | C14 | H17 | 108.2° | 109.4° |
| C16 | C15 | C14 | 110.8° | 109.8° |
| C16 | C15 | H18 | 109.1° | 109.4° |
| C16 | C15 | H19 | 109.1° | 109.4° |
| C15 | C16 | H20 | 107.1° | 109.7° |
| C15 | C14 | O20 | 111.2° | 109.4° |
| C15 | C14 | H17 | 108.2° | 109.3° |
| C14 | C15 | H18 | 109.1° | 109.3° |
| C14 | C15 | H19 | 109.2° | 109.6° |
| C12 | C11 | C10 | 126.6° | 120.0° |
| C12 | C11 | H14 | 116.7° | 120.0° |
| C2 | C3 | C10 | 125.5° | 122.4° |
| C2 | C3 | C4 | 110.8° | 115.2° |
| C3 | C2 | H11 | 109.4° | 109.3° |
| C3 | C2 | H12 | 109.4° | 109.2° |
| O20 | C14 | H17 | 109.3° | 109.4° |
| C14 | O20 | H48 | 109.5° | 114.0° |
| C9 | C8 | C7 | 105.3° | 106.3° |
| C9 | C8 | H3 | 110.5° | 110.1° |
| C9 | C8 | H4 | 110.5° | 110.1° |
| C8 | C9 | H5 | 106.1° | 110.3° |
| C11 | C10 | C3 | 126.2° | 120.0° |
| C11 | C10 | H13 | 116.9° | 120.0° |
| C10 | C11 | H14 | 116.7° | 120.0° |
| C10 | C3 | C4 | 123.5° | 122.4° |
| C3 | C10 | H13 | 116.9° | 120.0° |
| C3 | C4 | C7 | 120.6° | 117.0° |
| C3 | C4 | H10 | 106.8° | 111.1° |
| C4 | C7 | C8 | 104.4° | 102.9° |
| C4 | C7 | H1 | 110.7° | 110.8° |
| C4 | C7 | H2 | 110.7° | 110.7° |
| C7 | C4 | H10 | 106.4° | 110.6° |
| C8 | C7 | H1 | 110.7° | 110.8° |
| C8 | C7 | H2 | 110.8° | 110.7° |
| C7 | C8 | H3 | 110.5° | 110.2° |
| C7 | C8 | H4 | 110.5° | 110.1° |
| H1 | C7 | H2 | 109.5° | 110.6° |
| H3 | C8 | H4 | 109.5° | 110.1° |
| H6 | C1 | H7 | 109.4° | 109.0° |
| H8 | C6 | H9 | 109.4° | 109.9° |
| H11 | C2 | H12 | 109.5° | 109.2° |
| H15 | C13 | H16 | 109.5° | 109.7° |
| H18 | C15 | H19 | 109.5° | 109.4° |
| H21 | C18 | H22 | 120.0° | 120.0° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.4° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H34 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.4° |
| H35 | C30 | H36 | 109.5° | 109.4° |
| H35 | C30 | H37 | 109.4° | 109.4° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H40 | 109.5° | 109.4° |
| H39 | C31 | H40 | 109.5° | 109.4° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H43 | 109.4° | 109.5° |
| H42 | C32 | H43 | 109.4° | 109.4° |
| H44 | C33 | H45 | 109.5° | 109.4° |
| H44 | C33 | H46 | 109.4° | 109.4° |
| H45 | C33 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C28 | C32 | C33 | 120.9° | 120.0° |
| C31 | C28 | C32 | SI27 | 120.0° | 120.0° |
| C31 | C28 | C33 | SI27 | 120.8° | 120.0° |
| C31 | C28 | SI27 | C30 | 50.3° | 60.0° |
| C31 | C28 | SI27 | C29 | 71.9° | 180.0° |
| C31 | C28 | SI27 | C26 | 168.6° | 60.0° |
| C28 | C31 | H38 | H39 | 120.0° | 120.1° |
| C28 | C31 | H38 | H40 | 120.0° | 120.0° |
| C28 | C31 | H39 | H40 | 120.0° | 120.0° |
| C31 | C28 | C32 | H41 | 180.0° | 60.0° |
| C31 | C28 | C32 | H42 | 60.0° | 60.0° |
| C31 | C28 | C32 | H43 | 60.0° | 180.0° |
| C31 | C28 | C33 | H44 | 180.0° | 180.0° |
| C31 | C28 | C33 | H45 | 60.0° | 60.0° |
| C31 | C28 | C33 | H46 | 60.0° | 60.0° |
| C32 | C28 | C33 | SI27 | 120.1° | 120.0° |
| C32 | C28 | SI27 | C30 | 68.9° | 60.0° |
| C32 | C28 | SI27 | C29 | 168.9° | 60.0° |
| C32 | C28 | SI27 | C26 | 49.5° | 180.0° |
| C32 | C28 | C31 | H38 | 180.0° | 179.9° |
| C32 | C28 | C31 | H39 | 60.0° | 60.0° |
| C32 | C28 | C31 | H40 | 60.0° | 60.0° |
| C28 | C32 | H41 | H42 | 120.0° | 120.0° |
| C28 | C32 | H41 | H43 | 120.0° | 120.0° |
| C28 | C32 | H42 | H43 | 120.0° | 119.9° |
| C32 | C28 | C33 | H44 | 61.0° | 60.0° |
| C32 | C28 | C33 | H45 | 59.1° | 60.0° |
| C32 | C28 | C33 | H46 | 179.1° | 180.0° |
| C33 | C28 | SI27 | C30 | 172.0° | 180.0° |
| C33 | C28 | SI27 | C29 | 49.8° | 60.0° |
| C33 | C28 | SI27 | C26 | 69.7° | 60.0° |
| C33 | C28 | C31 | H38 | 60.7° | 60.0° |
| C33 | C28 | C31 | H39 | 59.4° | 60.1° |
| C33 | C28 | C31 | H40 | 179.3° | 180.0° |
| C33 | C28 | C32 | H41 | 59.1° | 180.0° |
| C33 | C28 | C32 | H42 | 179.2° | 60.0° |
| C33 | C28 | C32 | H43 | 60.9° | 60.0° |
| C28 | C33 | H44 | H45 | 120.0° | 120.0° |
| C28 | C33 | H44 | H46 | 120.0° | 120.0° |
| C28 | C33 | H45 | H46 | 120.0° | 120.1° |
| C28 | SI27 | C30 | C29 | 123.3° | 120.0° |
| C28 | SI27 | C30 | C26 | 116.7° | 120.0° |
| C28 | SI27 | C29 | C26 | 117.3° | 120.0° |
| C28 | SI27 | C26 | C25 | 26.3° | 179.5° |
| C28 | SI27 | C29 | H32 | 180.0° | 60.0° |
| C28 | SI27 | C29 | H33 | 60.0° | 180.0° |
| C28 | SI27 | C29 | H34 | 60.0° | 60.1° |
| C28 | SI27 | C30 | H35 | 180.0° | 60.0° |
| C28 | SI27 | C30 | H36 | 60.0° | 180.0° |
| C28 | SI27 | C30 | H37 | 60.0° | 60.0° |
| SI27 | C28 | C31 | H38 | 59.6° | 59.9° |
| SI27 | C28 | C31 | H39 | 179.6° | 180.0° |
| SI27 | C28 | C31 | H40 | 60.4° | 60.0° |
| SI27 | C28 | C32 | H41 | 60.0° | 60.0° |
| SI27 | C28 | C32 | H42 | 60.0° | 180.0° |
| SI27 | C28 | C32 | H43 | 180.0° | 60.0° |
| SI27 | C28 | C33 | H44 | 59.2° | 60.0° |
| SI27 | C28 | C33 | H45 | 179.2° | 180.0° |
| SI27 | C28 | C33 | H46 | 60.8° | 60.0° |
| C30 | SI27 | C29 | C26 | 119.5° | 120.0° |
| C30 | SI27 | C26 | C25 | 93.4° | 59.6° |
| C30 | SI27 | C29 | H32 | 56.8° | 180.0° |
| C30 | SI27 | C29 | H33 | 176.9° | 60.0° |
| C30 | SI27 | C29 | H34 | 63.2° | 59.9° |
| SI27 | C30 | H35 | H36 | 120.0° | 120.0° |
| SI27 | C30 | H35 | H37 | 120.0° | 120.1° |
| SI27 | C30 | H36 | H37 | 120.0° | 120.0° |
| C29 | SI27 | C26 | C25 | 146.7° | 60.5° |
| SI27 | C29 | H32 | H33 | 120.0° | 120.0° |
| SI27 | C29 | H32 | H34 | 120.0° | 120.0° |
| SI27 | C29 | H33 | H34 | 120.0° | 120.0° |
| C29 | SI27 | C30 | H35 | 56.7° | 60.0° |
| C29 | SI27 | C30 | H36 | 63.3° | 60.0° |
| C29 | SI27 | C30 | H37 | 176.7° | 180.0° |
| SI27 | C26 | C25 | C24 | 2.8° | 160.6° |
| C26 | SI27 | C29 | H32 | 62.7° | 60.0° |
| C26 | SI27 | C29 | H33 | 57.3° | 60.0° |
| C26 | SI27 | C29 | H34 | 177.3° | 180.0° |
| C26 | SI27 | C30 | H35 | 63.3° | 180.0° |
| C26 | SI27 | C30 | H36 | 176.6° | 60.0° |
| C26 | SI27 | C30 | H37 | 56.6° | 60.0° |
| C26 | C25 | C24 | C22 | 109.0° | 161.0° |
| C26 | C25 | C24 | H30 | 130.7° | 41.0° |
| C26 | C25 | C24 | H31 | 11.4° | 79.0° |
| C25 | C24 | C22 | H30 | 120.3° | 120.0° |
| C25 | C24 | C22 | H31 | 120.3° | 120.0° |
| C25 | C24 | C22 | C23 | 52.9° | 65.0° |
| C25 | C24 | C22 | C9 | 175.7° | 175.0° |
| C25 | C24 | C22 | H26 | 63.8° | 55.0° |
| C25 | C24 | H30 | H31 | 119.0° | 120.0° |
| C21 | C5 | C6 | C1 | 61.4° | 50.2° |
| C21 | C5 | C6 | C9 | 131.7° | 125.5° |
| C21 | C5 | C6 | C4 | 118.7° | 118.0° |
| C21 | C5 | C9 | C22 | 56.2° | 33.1° |
| C21 | C5 | C9 | C4 | 115.8° | 115.9° |
| C21 | C5 | C9 | C8 | 71.6° | 85.9° |
| C21 | C5 | C4 | C3 | 60.2° | 51.5° |
| C21 | C5 | C4 | C7 | 71.4° | 70.8° |
| C21 | C5 | C9 | H5 | 176.6° | 155.2° |
| C21 | C5 | C6 | H8 | 178.2° | 169.6° |
| C21 | C5 | C6 | H9 | 59.0° | 69.4° |
| C21 | C5 | C4 | H10 | 176.6° | 171.9° |
| C5 | C21 | H23 | H24 | 120.0° | 120.0° |
| C5 | C21 | H23 | H25 | 120.0° | 120.0° |
| C5 | C21 | H24 | H25 | 120.0° | 120.0° |
| C6 | C1 | C2 | H6 | 120.3° | 120.6° |
| C6 | C1 | C2 | H7 | 120.3° | 120.7° |
| C1 | C6 | C5 | H8 | 120.4° | 119.5° |
| C1 | C6 | C5 | H9 | 120.4° | 119.5° |
| C1 | C6 | C5 | C9 | 166.9° | 175.6° |
| C1 | C6 | C5 | C4 | 57.3° | 67.9° |
| C6 | C1 | C2 | C3 | 54.9° | 48.6° |
| C6 | C1 | H6 | H7 | 119.0° | 118.9° |
| C1 | C6 | H8 | H9 | 118.9° | 121.0° |
| C6 | C1 | C2 | H11 | 174.9° | 168.9° |
| C6 | C1 | C2 | H12 | 65.2° | 71.7° |
| C2 | C1 | C6 | C5 | 57.4° | 59.0° |
| C1 | C2 | C3 | H11 | 120.1° | 120.3° |
| C1 | C2 | C3 | H12 | 120.0° | 120.2° |
| C1 | C2 | C3 | C10 | 118.6° | 129.8° |
| C1 | C2 | C3 | C4 | 56.1° | 50.2° |
| C2 | C1 | H6 | H7 | 119.0° | 118.8° |
| C2 | C1 | C6 | H8 | 63.0° | 60.5° |
| C2 | C1 | C6 | H9 | 177.8° | 178.5° |
| C1 | C2 | H11 | H12 | 119.9° | 119.3° |
| C18 | C17 | C12 | C16 | 176.2° | 179.9° |
| C18 | C17 | C16 | O19 | 3.7° | 107.0° |
| C18 | C17 | C12 | C13 | 130.1° | 136.7° |
| C18 | C17 | C16 | C15 | 127.2° | 133.2° |
| C18 | C17 | C12 | C11 | 43.1° | 43.1° |
| C18 | C17 | C16 | H20 | 115.8° | 13.5° |
| C17 | C18 | H21 | H22 | 180.0° | 180.0° |
| C24 | C22 | C23 | C9 | 122.2° | 120.0° |
| C24 | C22 | C23 | H26 | 116.6° | 120.0° |
| C24 | C22 | C9 | H26 | 120.6° | 120.0° |
| C24 | C22 | C9 | C5 | 87.1° | 177.1° |
| C24 | C22 | C9 | C8 | 36.4° | 61.4° |
| C24 | C22 | C9 | H5 | 152.5° | 60.7° |
| C24 | C22 | C23 | H27 | 180.0° | 60.0° |
| C24 | C22 | C23 | H28 | 60.0° | 180.0° |
| C24 | C22 | C23 | H29 | 60.0° | 60.0° |
| C22 | C24 | H30 | H31 | 119.1° | 120.0° |
| C6 | C5 | C9 | C22 | 74.3° | 92.2° |
| C6 | C5 | C9 | C4 | 113.7° | 118.8° |
| C6 | C5 | C9 | C8 | 157.9° | 148.9° |
| C6 | C5 | C4 | C3 | 59.2° | 66.4° |
| C6 | C5 | C4 | C7 | 169.2° | 171.3° |
| C6 | C5 | C9 | H5 | 46.1° | 30.0° |
| C5 | C6 | C1 | H6 | 62.9° | 61.5° |
| C5 | C6 | C1 | H7 | 177.8° | 179.6° |
| C5 | C6 | H8 | H9 | 118.9° | 121.0° |
| C6 | C5 | C4 | H10 | 57.2° | 53.9° |
| C6 | C5 | C21 | H23 | 180.0° | 62.3° |
| C6 | C5 | C21 | H24 | 60.0° | 57.7° |
| C6 | C5 | C21 | H25 | 60.0° | 177.7° |
| C23 | C22 | C9 | H26 | 121.3° | 119.9° |
| C23 | C22 | C9 | C5 | 154.7° | 62.8° |
| C23 | C22 | C9 | C8 | 81.7° | 178.5° |
| C23 | C22 | C9 | H5 | 34.4° | 59.4° |
| C22 | C23 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | H27 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C23 | C22 | C24 | H30 | 67.4° | 175.0° |
| C23 | C22 | C24 | H31 | 173.2° | 55.0° |
| C22 | C9 | C5 | C8 | 127.8° | 119.0° |
| C22 | C9 | C5 | H5 | 120.4° | 122.1° |
| C22 | C9 | C5 | C4 | 172.0° | 149.1° |
| C22 | C9 | C8 | H5 | 116.2° | 122.1° |
| C22 | C9 | C8 | C7 | 157.3° | 123.0° |
| C22 | C9 | C8 | H3 | 83.4° | 3.7° |
| C22 | C9 | C8 | H4 | 37.9° | 117.8° |
| C9 | C22 | C23 | H27 | 57.8° | 60.1° |
| C9 | C22 | C23 | H28 | 177.8° | 60.0° |
| C9 | C22 | C23 | H29 | 62.2° | 179.9° |
| C9 | C22 | C24 | H30 | 55.4° | 55.0° |
| C9 | C22 | C24 | H31 | 64.0° | 65.0° |
| C5 | C9 | C8 | H5 | 111.9° | 118.9° |
| C9 | C5 | C4 | C3 | 178.7° | 167.6° |
| C9 | C5 | C4 | C7 | 47.1° | 45.3° |
| C5 | C9 | C8 | C7 | 25.4° | 4.0° |
| C5 | C9 | C8 | H3 | 144.7° | 115.3° |
| C5 | C9 | C8 | H4 | 94.0° | 123.2° |
| C9 | C5 | C6 | H8 | 46.6° | 64.9° |
| C9 | C5 | C6 | H9 | 72.7° | 56.1° |
| C9 | C5 | C4 | H10 | 65.0° | 72.0° |
| C9 | C5 | C21 | H23 | 46.1° | 68.3° |
| C9 | C5 | C21 | H24 | 73.9° | 171.7° |
| C9 | C5 | C21 | H25 | 166.2° | 51.7° |
| C5 | C9 | C22 | H26 | 33.4° | 57.1° |
| C5 | C4 | C3 | C2 | 60.5° | 58.1° |
| C4 | C5 | C9 | C8 | 44.2° | 30.1° |
| C5 | C4 | C3 | C10 | 114.4° | 121.9° |
| C5 | C4 | C3 | C7 | 122.5° | 111.6° |
| C5 | C4 | C3 | H10 | 116.1° | 120.2° |
| C5 | C4 | C7 | H10 | 111.9° | 117.5° |
| C5 | C4 | C7 | C8 | 31.9° | 42.0° |
| C5 | C4 | C7 | H1 | 87.3° | 160.5° |
| C5 | C4 | C7 | H2 | 151.1° | 76.4° |
| C4 | C5 | C9 | H5 | 67.7° | 88.8° |
| C4 | C5 | C6 | H8 | 63.1° | 51.6° |
| C4 | C5 | C6 | H9 | 177.7° | 172.6° |
| C4 | C5 | C21 | H23 | 63.3° | 179.4° |
| C4 | C5 | C21 | H24 | 176.7° | 59.4° |
| C4 | C5 | C21 | H25 | 56.8° | 60.6° |
| C12 | C17 | C16 | O19 | 172.6° | 72.9° |
| C17 | C12 | C13 | C11 | 173.6° | 179.8° |
| C17 | C12 | C13 | C14 | 48.9° | 46.8° |
| C12 | C17 | C16 | C15 | 49.1° | 46.9° |
| C17 | C12 | C11 | C10 | 9.3° | 0.2° |
| C17 | C12 | C11 | H14 | 170.7° | 179.7° |
| C17 | C12 | C13 | H15 | 71.6° | 166.6° |
| C17 | C12 | C13 | H16 | 169.4° | 72.9° |
| C12 | C17 | C16 | H20 | 67.8° | 166.6° |
| C12 | C17 | C18 | H21 | 176.0° | 0.0° |
| C12 | C17 | C18 | H22 | 4.0° | 180.0° |
| C17 | C16 | O19 | C15 | 124.9° | 119.0° |
| C17 | C16 | O19 | H20 | 119.1° | 120.5° |
| C16 | C17 | C12 | C13 | 46.1° | 43.4° |
| C17 | C16 | C15 | H20 | 117.0° | 119.6° |
| C17 | C16 | C15 | C14 | 55.2° | 57.8° |
| C16 | C17 | C12 | C11 | 140.7° | 136.8° |
| C17 | C16 | C15 | H18 | 175.4° | 177.8° |
| C17 | C16 | C15 | H19 | 65.0° | 62.4° |
| C16 | C17 | C18 | H21 | 0.0° | 179.9° |
| C16 | C17 | C18 | H22 | 180.0° | 0.1° |
| C17 | C16 | O19 | H47 | 180.0° | 61.1° |
| O19 | C16 | C15 | H20 | 116.6° | 120.5° |
| O19 | C16 | C15 | C14 | 178.4° | 62.1° |
| O19 | C16 | C15 | H18 | 58.2° | 57.9° |
| O19 | C16 | C15 | H19 | 61.3° | 177.6° |
| C12 | C13 | C14 | H15 | 120.5° | 119.7° |
| C12 | C13 | C14 | H16 | 120.5° | 119.7° |
| C12 | C13 | C14 | C15 | 55.1° | 57.7° |
| C12 | C13 | C14 | O20 | 67.7° | 177.8° |
| C13 | C12 | C11 | C10 | 177.9° | 180.0° |
| C13 | C12 | C11 | H14 | 2.1° | 0.1° |
| C12 | C13 | H15 | H16 | 118.6° | 120.5° |
| C12 | C13 | C14 | H17 | 173.2° | 62.4° |
| C13 | C14 | C15 | C16 | 58.3° | 66.2° |
| C13 | C14 | C15 | O20 | 121.9° | 120.1° |
| C13 | C14 | C15 | H17 | 118.1° | 120.1° |
| C14 | C13 | C12 | C11 | 137.5° | 133.4° |
| C13 | C14 | O20 | H17 | 118.4° | 119.9° |
| C14 | C13 | H15 | H16 | 118.6° | 120.6° |
| C13 | C14 | C15 | H18 | 178.5° | 173.8° |
| C13 | C14 | C15 | H19 | 61.9° | 53.9° |
| C13 | C14 | O20 | H48 | 180.0° | 60.0° |
| C16 | C15 | C14 | H18 | 120.2° | 120.0° |
| C16 | C15 | C14 | H19 | 120.2° | 120.1° |
| C16 | C15 | C14 | O20 | 63.6° | 173.7° |
| C16 | C15 | C14 | H17 | 176.4° | 53.9° |
| C16 | C15 | H18 | H19 | 119.4° | 119.8° |
| C15 | C16 | O19 | H47 | 55.1° | 180.0° |
| C15 | C14 | O20 | H17 | 119.4° | 119.8° |
| C15 | C14 | C13 | H15 | 65.4° | 177.4° |
| C15 | C14 | C13 | H16 | 175.5° | 62.0° |
| C14 | C15 | H18 | H19 | 119.4° | 120.0° |
| C14 | C15 | C16 | H20 | 61.8° | 177.4° |
| C15 | C14 | O20 | H48 | 57.8° | 179.6° |
| C12 | C11 | C10 | H14 | 180.0° | 179.9° |
| C12 | C11 | C10 | C3 | 151.4° | 180.0° |
| C12 | C11 | C10 | H13 | 28.6° | 0.1° |
| C11 | C12 | C13 | H15 | 102.0° | 13.6° |
| C11 | C12 | C13 | H16 | 17.0° | 106.9° |
| C2 | C3 | C10 | C11 | 2.9° | 0.0° |
| C2 | C3 | C10 | C4 | 174.1° | 180.0° |
| C2 | C3 | C4 | C7 | 177.0° | 169.7° |
| C3 | C2 | C1 | H6 | 65.4° | 72.0° |
| C3 | C2 | C1 | H7 | 175.2° | 169.2° |
| C2 | C3 | C4 | H10 | 55.6° | 62.1° |
| C3 | C2 | H11 | H12 | 119.8° | 119.4° |
| C2 | C3 | C10 | H13 | 177.1° | 180.0° |
| O20 | C14 | C13 | H15 | 171.9° | 62.5° |
| O20 | C14 | C13 | H16 | 52.8° | 58.1° |
| O20 | C14 | C15 | H18 | 56.6° | 53.7° |
| O20 | C14 | C15 | H19 | 176.2° | 66.2° |
| C9 | C8 | C7 | C4 | 4.1° | 24.0° |
| C9 | C8 | C7 | H3 | 119.4° | 119.2° |
| C9 | C8 | C7 | H4 | 119.3° | 119.2° |
| C9 | C8 | C7 | H1 | 115.1° | 142.5° |
| C9 | C8 | C7 | H2 | 123.2° | 94.3° |
| C9 | C8 | H3 | H4 | 121.9° | 121.5° |
| C8 | C9 | C22 | H26 | 157.0° | 58.6° |
| C11 | C10 | C3 | H13 | 180.0° | 180.0° |
| C11 | C10 | C3 | C4 | 177.0° | 180.0° |
| C10 | C3 | C4 | C7 | 8.1° | 10.3° |
| C10 | C3 | C4 | H10 | 129.5° | 117.9° |
| C10 | C3 | C2 | H11 | 1.4° | 9.4° |
| C10 | C3 | C2 | H12 | 121.3° | 110.0° |
| C3 | C10 | C11 | H14 | 28.6° | 0.1° |
| C3 | C4 | C7 | H10 | 121.6° | 128.5° |
| C3 | C4 | C7 | C8 | 158.4° | 156.0° |
| C3 | C4 | C7 | H1 | 39.2° | 85.5° |
| C3 | C4 | C7 | H2 | 82.4° | 37.6° |
| C4 | C3 | C2 | H11 | 176.2° | 170.6° |
| C4 | C3 | C2 | H12 | 63.9° | 70.0° |
| C4 | C3 | C10 | H13 | 3.0° | 0.0° |
| C4 | C7 | C8 | H1 | 119.2° | 118.5° |
| C4 | C7 | C8 | H2 | 119.2° | 118.4° |
| C4 | C7 | H1 | H2 | 122.3° | 123.2° |
| C4 | C7 | C8 | H3 | 115.3° | 143.3° |
| C4 | C7 | C8 | H4 | 123.4° | 95.2° |
| C8 | C7 | H1 | H2 | 122.4° | 123.2° |
| C7 | C8 | H3 | H4 | 121.9° | 121.5° |
| C7 | C8 | C9 | H5 | 86.5° | 114.9° |
| C8 | C7 | C4 | H10 | 80.0° | 75.5° |
| H1 | C7 | C8 | H3 | 125.5° | 98.3° |
| H1 | C7 | C8 | H4 | 4.2° | 23.3° |
| H1 | C7 | C4 | H10 | 160.8° | 43.0° |
| H2 | C7 | C8 | H3 | 3.9° | 24.9° |
| H2 | C7 | C8 | H4 | 117.4° | 146.4° |
| H2 | C7 | C4 | H10 | 39.2° | 166.1° |
| H3 | C8 | C9 | H5 | 32.8° | 125.8° |
| H4 | C8 | C9 | H5 | 154.1° | 4.3° |
| H5 | C9 | C22 | H26 | 86.9° | 179.3° |
| H6 | C1 | C6 | H8 | 176.7° | 179.0° |
| H6 | C1 | C6 | H9 | 57.5° | 58.0° |
| H6 | C1 | C2 | H11 | 54.6° | 48.3° |
| H6 | C1 | C2 | H12 | 174.5° | 167.7° |
| H7 | C1 | C6 | H8 | 57.4° | 60.2° |
| H7 | C1 | C6 | H9 | 61.8° | 60.9° |
| H7 | C1 | C2 | H11 | 64.7° | 70.4° |
| H7 | C1 | C2 | H12 | 55.2° | 49.0° |
| H13 | C10 | C11 | H14 | 151.4° | 180.0° |
| H15 | C13 | C14 | H17 | 52.8° | 57.3° |
| H16 | C13 | C14 | H17 | 66.3° | 177.9° |
| H17 | C14 | C15 | H18 | 63.4° | 66.1° |
| H17 | C14 | C15 | H19 | 56.2° | 174.0° |
| H17 | C14 | O20 | H48 | 61.6° | 59.9° |
| H18 | C15 | C16 | H20 | 58.4° | 62.6° |
| H19 | C15 | C16 | H20 | 178.0° | 57.1° |
| H20 | C16 | O19 | H47 | 60.9° | 59.5° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | C23 | H27 | 63.4° | 180.0° |
| H26 | C22 | C23 | H28 | 56.6° | 60.0° |
| H26 | C22 | C23 | H29 | 176.6° | 60.0° |
| H26 | C22 | C24 | H30 | 175.9° | 65.0° |
| H26 | C22 | C24 | H31 | 56.5° | 175.0° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H32 | C29 | H33 | H34 | 120.0° | 120.0° |
| H35 | C30 | H36 | H37 | 120.0° | 119.9° |
| H38 | C31 | H39 | H40 | 120.0° | 120.0° |
| H41 | C32 | H42 | H43 | 119.9° | 120.0° |
| H44 | C33 | H45 | H46 | 120.0° | 119.9° |
