5D5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C9 | sing | 1.52Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C10 | C19 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C5 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C13 | C17 | sing | 1.53Å | 1.54Å | |
| C8 | C14 | sing | 1.52Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| O25 | C24 | doub | 1.21Å | 1.22Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| N26 | C25 | sing | 1.46Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| O28 | S27 | doub | 1.42Å | 1.48Å | |
| C26 | S27 | sing | 1.81Å | 1.67Å | |
| S27 | O30 | doub | 1.42Å | 1.48Å | |
| S27 | O29 | sing | 1.52Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| N26 | H17 | sing | 0.97Å | 1.00Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.09Å | 1.10Å | |
| O7 | H44 | sing | 0.97Å | 0.95Å | |
| O29 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 110.2° | 109.5° |
| O3 | C3 | C4 | 111.7° | 109.5° |
| O3 | C3 | H5 | 110.3° | 109.4° |
| C3 | O3 | H16 | 109.5° | 114.0° |
| C3 | C2 | C1 | 107.4° | 109.5° |
| C2 | C3 | C4 | 106.7° | 109.5° |
| C3 | C2 | H3 | 110.0° | 109.5° |
| C3 | C2 | H4 | 110.0° | 109.4° |
| C2 | C3 | H5 | 109.0° | 109.5° |
| C2 | C1 | C10 | 114.1° | 109.4° |
| C2 | C1 | H1 | 108.3° | 109.4° |
| C2 | C1 | H2 | 108.3° | 109.5° |
| C1 | C2 | H3 | 110.0° | 109.5° |
| C1 | C2 | H4 | 110.0° | 109.5° |
| C3 | C4 | C5 | 108.7° | 109.5° |
| C4 | C3 | H5 | 108.8° | 109.5° |
| C3 | C4 | H6 | 109.7° | 109.5° |
| C3 | C4 | H7 | 109.7° | 109.5° |
| C1 | C10 | C19 | 106.3° | 109.5° |
| C1 | C10 | C9 | 111.3° | 109.4° |
| C1 | C10 | C5 | 108.3° | 109.4° |
| C10 | C1 | H1 | 108.3° | 109.5° |
| C10 | C1 | H2 | 108.3° | 109.5° |
| C12 | C11 | C9 | 116.1° | 111.4° |
| C11 | C12 | C13 | 112.6° | 107.9° |
| C12 | C11 | H14 | 107.8° | 109.1° |
| C12 | C11 | H15 | 107.8° | 109.1° |
| C11 | C12 | H39 | 108.7° | 109.9° |
| C11 | C12 | H40 | 108.7° | 109.9° |
| C11 | C9 | C10 | 114.1° | 109.5° |
| C11 | C9 | C8 | 112.4° | 111.5° |
| C11 | C9 | H13 | 105.9° | 108.9° |
| C9 | C11 | H14 | 107.8° | 109.1° |
| C9 | C11 | H15 | 107.8° | 109.1° |
| C4 | C5 | C10 | 115.4° | 109.4° |
| C4 | C5 | C6 | 108.8° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.4° |
| C5 | C4 | H7 | 109.7° | 109.4° |
| C4 | C5 | H8 | 106.5° | 109.5° |
| C19 | C10 | C9 | 111.5° | 109.6° |
| C19 | C10 | C5 | 108.8° | 109.5° |
| C10 | C19 | H41 | 109.5° | 109.5° |
| C10 | C19 | H42 | 109.5° | 109.5° |
| C10 | C19 | H43 | 109.4° | 109.5° |
| C9 | C10 | C5 | 110.4° | 109.4° |
| C10 | C9 | C8 | 111.6° | 109.1° |
| C10 | C9 | H13 | 105.9° | 108.9° |
| C10 | C5 | C6 | 112.6° | 109.5° |
| C10 | C5 | H8 | 106.4° | 109.5° |
| C12 | C13 | C18 | 109.4° | 108.5° |
| C12 | C13 | C14 | 104.9° | 108.1° |
| C12 | C13 | C17 | 115.9° | 117.2° |
| C13 | C12 | H39 | 108.7° | 108.7° |
| C13 | C12 | H40 | 108.7° | 110.4° |
| C9 | C8 | C14 | 108.7° | 107.2° |
| C9 | C8 | C7 | 109.2° | 109.1° |
| C9 | C8 | H12 | 108.4° | 110.6° |
| C8 | C9 | H13 | 106.1° | 108.8° |
| C5 | C6 | C7 | 114.1° | 109.5° |
| C6 | C5 | H8 | 106.5° | 109.5° |
| C5 | C6 | H9 | 108.3° | 109.5° |
| C5 | C6 | H10 | 108.3° | 109.5° |
| C21 | C20 | C17 | 110.4° | 109.4° |
| C21 | C20 | C22 | 112.3° | 109.5° |
| C21 | C20 | H26 | 108.0° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.4° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.5° |
| C18 | C13 | C14 | 114.3° | 109.8° |
| C18 | C13 | C17 | 110.6° | 109.8° |
| C13 | C18 | H31 | 109.5° | 109.5° |
| C13 | C18 | H32 | 109.5° | 109.5° |
| C13 | C18 | H33 | 109.5° | 109.4° |
| C14 | C13 | C17 | 101.7° | 103.2° |
| C13 | C14 | C8 | 115.7° | 107.0° |
| C13 | C14 | C15 | 103.6° | 101.7° |
| C13 | C14 | H34 | 106.3° | 110.5° |
| C13 | C17 | C20 | 121.1° | 110.3° |
| C13 | C17 | C16 | 102.6° | 105.4° |
| C13 | C17 | H30 | 107.2° | 110.3° |
| C14 | C8 | C7 | 113.6° | 110.3° |
| C8 | C14 | C15 | 117.7° | 115.9° |
| C14 | C8 | H12 | 108.3° | 109.8° |
| C8 | C14 | H34 | 106.2° | 110.4° |
| C8 | C7 | C6 | 111.5° | 109.4° |
| C8 | C7 | O7 | 111.0° | 109.5° |
| C8 | C7 | H11 | 109.3° | 109.5° |
| C7 | C8 | H12 | 108.5° | 109.7° |
| C6 | C7 | O7 | 104.9° | 109.5° |
| C7 | C6 | H9 | 108.3° | 109.4° |
| C7 | C6 | H10 | 108.3° | 109.4° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| C14 | C15 | C16 | 104.3° | 103.0° |
| C15 | C14 | H34 | 106.4° | 111.0° |
| C14 | C15 | H35 | 110.7° | 110.7° |
| C14 | C15 | H36 | 110.7° | 110.7° |
| O7 | C7 | H11 | 110.7° | 109.5° |
| C7 | O7 | H44 | 109.5° | 114.0° |
| C20 | C17 | C16 | 110.6° | 110.2° |
| C17 | C20 | C22 | 110.4° | 109.5° |
| C17 | C20 | H26 | 107.8° | 109.5° |
| C20 | C17 | H30 | 107.3° | 110.2° |
| C17 | C16 | C15 | 108.1° | 106.3° |
| C16 | C17 | H30 | 107.4° | 110.3° |
| C17 | C16 | H37 | 109.8° | 110.0° |
| C17 | C16 | H38 | 109.8° | 110.1° |
| C20 | C22 | C23 | 117.4° | 109.5° |
| C20 | C22 | H24 | 107.4° | 109.5° |
| C20 | C22 | H25 | 107.4° | 109.4° |
| C22 | C20 | H26 | 107.8° | 109.5° |
| C22 | C23 | C24 | 110.6° | 109.5° |
| C22 | C23 | H22 | 109.2° | 109.5° |
| C22 | C23 | H23 | 109.2° | 109.5° |
| C23 | C22 | H24 | 107.4° | 109.5° |
| C23 | C22 | H25 | 107.4° | 109.5° |
| C23 | C24 | O25 | 118.9° | 120.0° |
| C23 | C24 | N26 | 116.3° | 120.0° |
| C24 | C23 | H22 | 109.2° | 109.5° |
| C24 | C23 | H23 | 109.2° | 109.4° |
| C16 | C15 | H35 | 110.8° | 110.7° |
| C16 | C15 | H36 | 110.7° | 110.7° |
| C15 | C16 | H37 | 109.8° | 110.1° |
| C15 | C16 | H38 | 109.8° | 110.1° |
| O25 | C24 | N26 | 124.6° | 119.9° |
| C24 | N26 | C25 | 121.2° | 120.0° |
| C24 | N26 | H17 | 119.4° | 120.0° |
| N26 | C25 | C26 | 114.2° | 109.5° |
| C25 | N26 | H17 | 119.4° | 120.0° |
| N26 | C25 | H18 | 108.3° | 109.5° |
| N26 | C25 | H19 | 108.3° | 109.5° |
| C25 | C26 | S27 | 110.1° | 109.5° |
| C26 | C25 | H18 | 108.3° | 109.5° |
| C26 | C25 | H19 | 108.3° | 109.4° |
| C25 | C26 | H20 | 109.3° | 109.5° |
| C25 | C26 | H21 | 109.3° | 109.5° |
| O28 | S27 | C26 | 110.5° | 110.5° |
| O28 | S27 | O30 | 110.5° | 121.1° |
| O28 | S27 | O29 | 106.7° | 104.3° |
| C26 | S27 | O30 | 108.6° | 110.5° |
| C26 | S27 | O29 | 110.4° | 104.5° |
| S27 | C26 | H20 | 109.3° | 109.4° |
| S27 | C26 | H21 | 109.3° | 109.5° |
| O30 | S27 | O29 | 110.2° | 104.3° |
| S27 | O29 | H45 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.0° |
| H18 | C25 | H19 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H24 | C22 | H25 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.4° | 109.5° |
| H35 | C15 | H36 | 109.5° | 110.8° |
| H37 | C16 | H38 | 109.5° | 110.1° |
| H39 | C12 | H40 | 109.5° | 109.9° |
| H41 | C19 | H42 | 109.5° | 109.4° |
| H41 | C19 | H43 | 109.5° | 109.5° |
| H42 | C19 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | C4 | 121.5° | 120.0° |
| O3 | C3 | C2 | H5 | 121.2° | 120.0° |
| O3 | C3 | C2 | C1 | 170.6° | 180.0° |
| O3 | C3 | C4 | H5 | 122.0° | 119.9° |
| O3 | C3 | C4 | C5 | 175.3° | 180.0° |
| O3 | C3 | C2 | H3 | 69.7° | 60.0° |
| O3 | C3 | C2 | H4 | 50.9° | 60.0° |
| O3 | C3 | C4 | H6 | 55.4° | 60.0° |
| O3 | C3 | C4 | H7 | 64.9° | 60.0° |
| C3 | C2 | C1 | H3 | 119.7° | 120.0° |
| C3 | C2 | C1 | H4 | 119.7° | 120.0° |
| C2 | C3 | C4 | H5 | 117.5° | 120.0° |
| C3 | C2 | C1 | C10 | 62.4° | 60.0° |
| C2 | C3 | C4 | C5 | 64.2° | 59.9° |
| C3 | C2 | C1 | H1 | 176.9° | 179.9° |
| C3 | C2 | C1 | H2 | 58.3° | 60.0° |
| C3 | C2 | H3 | H4 | 120.9° | 120.0° |
| C2 | C3 | C4 | H6 | 175.9° | 179.9° |
| C2 | C3 | C4 | H7 | 55.6° | 60.0° |
| C2 | C3 | O3 | H16 | 180.0° | 59.9° |
| C1 | C2 | C3 | C4 | 67.9° | 59.9° |
| C2 | C1 | C10 | H1 | 120.7° | 120.0° |
| C2 | C1 | C10 | H2 | 120.7° | 120.0° |
| C2 | C1 | C10 | C19 | 166.0° | 179.8° |
| C2 | C1 | C10 | C9 | 72.4° | 59.7° |
| C2 | C1 | C10 | C5 | 49.2° | 60.2° |
| C2 | C1 | H1 | H2 | 117.9° | 120.0° |
| C1 | C2 | H3 | H4 | 121.0° | 120.0° |
| C1 | C2 | C3 | H5 | 49.4° | 60.1° |
| C3 | C4 | C5 | H6 | 119.9° | 120.0° |
| C3 | C4 | C5 | H7 | 119.9° | 120.0° |
| C3 | C4 | C5 | C10 | 54.8° | 60.0° |
| C3 | C4 | C5 | C6 | 177.4° | 180.0° |
| C4 | C3 | C2 | H3 | 51.8° | 179.9° |
| C4 | C3 | C2 | H4 | 172.4° | 60.1° |
| C3 | C4 | H6 | H7 | 120.4° | 120.0° |
| C3 | C4 | C5 | H8 | 63.0° | 60.0° |
| C4 | C3 | O3 | H16 | 61.5° | 180.0° |
| C1 | C10 | C9 | C11 | 54.5° | 57.2° |
| C1 | C10 | C5 | C4 | 45.6° | 60.2° |
| C1 | C10 | C19 | C9 | 121.5° | 120.0° |
| C1 | C10 | C19 | C5 | 116.5° | 120.0° |
| C1 | C10 | C9 | C5 | 120.4° | 119.9° |
| C1 | C10 | C9 | C8 | 176.6° | 179.5° |
| C1 | C10 | C5 | C6 | 171.4° | 179.9° |
| C10 | C1 | H1 | H2 | 117.9° | 120.1° |
| C10 | C1 | C2 | H3 | 57.3° | 180.0° |
| C10 | C1 | C2 | H4 | 178.0° | 59.9° |
| C1 | C10 | C5 | H8 | 72.2° | 59.9° |
| C1 | C10 | C9 | H13 | 61.6° | 61.8° |
| C1 | C10 | C19 | H41 | 180.0° | 60.1° |
| C1 | C10 | C19 | H42 | 60.0° | 180.0° |
| C1 | C10 | C19 | H43 | 60.0° | 60.0° |
| C12 | C11 | C9 | H14 | 121.0° | 120.4° |
| C12 | C11 | C9 | H15 | 120.9° | 120.5° |
| C12 | C11 | C9 | C10 | 172.3° | 175.8° |
| C11 | C12 | C13 | H39 | 120.5° | 119.2° |
| C11 | C12 | C13 | H40 | 120.5° | 120.1° |
| C12 | C11 | C9 | C8 | 43.8° | 54.9° |
| C11 | C12 | C13 | C18 | 66.8° | 55.9° |
| C11 | C12 | C13 | C14 | 56.2° | 63.1° |
| C11 | C12 | C13 | C17 | 167.4° | 179.1° |
| C12 | C11 | C9 | H13 | 71.6° | 65.3° |
| C12 | C11 | H14 | H15 | 117.0° | 119.1° |
| C11 | C12 | H39 | H40 | 118.6° | 121.1° |
| C11 | C9 | C10 | C19 | 64.0° | 62.8° |
| C11 | C9 | C10 | C8 | 128.9° | 122.3° |
| C11 | C9 | C10 | H13 | 116.1° | 119.0° |
| C11 | C9 | C10 | C5 | 174.9° | 177.1° |
| C9 | C11 | C12 | C13 | 50.5° | 56.4° |
| C11 | C9 | C8 | H13 | 115.3° | 120.2° |
| C11 | C9 | C8 | C14 | 45.4° | 58.7° |
| C11 | C9 | C8 | C7 | 169.9° | 178.2° |
| C11 | C9 | C8 | H12 | 72.2° | 61.0° |
| C9 | C11 | H14 | H15 | 117.0° | 119.1° |
| C9 | C11 | C12 | H39 | 69.9° | 62.0° |
| C9 | C11 | C12 | H40 | 171.0° | 176.9° |
| C4 | C5 | C10 | C19 | 160.8° | 179.8° |
| C4 | C5 | C10 | C9 | 76.5° | 59.7° |
| C4 | C5 | C10 | C6 | 125.8° | 120.0° |
| C4 | C5 | C10 | H8 | 117.8° | 120.0° |
| C4 | C5 | C6 | H8 | 114.4° | 120.1° |
| C4 | C5 | C6 | C7 | 80.8° | 60.1° |
| C5 | C4 | C3 | H5 | 53.3° | 60.1° |
| C5 | C4 | H6 | H7 | 120.4° | 119.9° |
| C4 | C5 | C6 | H9 | 158.5° | 180.0° |
| C4 | C5 | C6 | H10 | 39.9° | 59.9° |
| C19 | C10 | C9 | C5 | 121.1° | 120.1° |
| C19 | C10 | C9 | C8 | 64.9° | 59.5° |
| C19 | C10 | C5 | C6 | 73.4° | 59.9° |
| C19 | C10 | C1 | H1 | 73.3° | 59.8° |
| C19 | C10 | C1 | H2 | 45.4° | 60.2° |
| C19 | C10 | C5 | H8 | 42.9° | 60.1° |
| C19 | C10 | C9 | H13 | 179.9° | 178.2° |
| C10 | C19 | H41 | H42 | 120.0° | 120.0° |
| C10 | C19 | H41 | H43 | 120.0° | 120.1° |
| C10 | C19 | H42 | H43 | 120.0° | 120.1° |
| C10 | C9 | C8 | H13 | 114.9° | 118.7° |
| C9 | C10 | C5 | C6 | 49.3° | 60.2° |
| C10 | C9 | C8 | C14 | 175.2° | 179.8° |
| C10 | C9 | C8 | C7 | 60.4° | 60.7° |
| C9 | C10 | C1 | H1 | 48.3° | 60.3° |
| C9 | C10 | C1 | H2 | 166.9° | 179.7° |
| C9 | C10 | C5 | H8 | 165.6° | 179.7° |
| C10 | C9 | C8 | H12 | 57.6° | 60.1° |
| C10 | C9 | C11 | H14 | 51.4° | 63.8° |
| C10 | C9 | C11 | H15 | 66.8° | 55.3° |
| C9 | C10 | C19 | H41 | 58.5° | 179.9° |
| C9 | C10 | C19 | H42 | 61.5° | 60.0° |
| C9 | C10 | C19 | H43 | 178.5° | 60.0° |
| C5 | C10 | C9 | C8 | 56.2° | 60.6° |
| C10 | C5 | C6 | H8 | 116.3° | 120.0° |
| C10 | C5 | C6 | C7 | 48.5° | 59.9° |
| C5 | C10 | C1 | H1 | 169.9° | 179.9° |
| C5 | C10 | C1 | H2 | 71.5° | 59.8° |
| C10 | C5 | C4 | H6 | 174.7° | 179.9° |
| C10 | C5 | C4 | H7 | 65.1° | 60.0° |
| C10 | C5 | C6 | H9 | 72.2° | 60.1° |
| C10 | C5 | C6 | H10 | 169.2° | 179.8° |
| C5 | C10 | C9 | H13 | 58.8° | 58.1° |
| C5 | C10 | C19 | H41 | 63.5° | 59.9° |
| C5 | C10 | C19 | H42 | 176.5° | 60.0° |
| C5 | C10 | C19 | H43 | 56.5° | 180.0° |
| C12 | C13 | C18 | C14 | 117.2° | 118.0° |
| C12 | C13 | C18 | C17 | 128.8° | 129.2° |
| C12 | C13 | C14 | C17 | 121.1° | 124.8° |
| C12 | C13 | C14 | C8 | 64.1° | 68.9° |
| C12 | C13 | C14 | C15 | 165.6° | 169.2° |
| C12 | C13 | C17 | C20 | 84.3° | 93.1° |
| C12 | C13 | C17 | C16 | 152.0° | 147.9° |
| C13 | C12 | C11 | H14 | 70.4° | 176.8° |
| C13 | C12 | C11 | H15 | 171.5° | 64.1° |
| C12 | C13 | C17 | H30 | 39.0° | 28.9° |
| C12 | C13 | C18 | H31 | 180.0° | 178.0° |
| C12 | C13 | C18 | H32 | 60.0° | 62.0° |
| C12 | C13 | C18 | H33 | 60.0° | 58.0° |
| C12 | C13 | C14 | H34 | 53.6° | 51.3° |
| C13 | C12 | H39 | H40 | 118.6° | 121.0° |
| C9 | C8 | C14 | C13 | 59.5° | 64.5° |
| C9 | C8 | C14 | C7 | 121.8° | 118.8° |
| C9 | C8 | C14 | H12 | 117.6° | 120.2° |
| C9 | C8 | C7 | H12 | 117.9° | 121.3° |
| C9 | C8 | C7 | C6 | 57.5° | 60.4° |
| C9 | C8 | C14 | C15 | 177.3° | 177.0° |
| C9 | C8 | C7 | O7 | 174.1° | 179.6° |
| C9 | C8 | C7 | H11 | 63.6° | 59.6° |
| C8 | C9 | C11 | H14 | 77.1° | 175.3° |
| C8 | C9 | C11 | H15 | 164.8° | 65.6° |
| C9 | C8 | C14 | H34 | 58.2° | 55.7° |
| C5 | C6 | C7 | C8 | 52.7° | 60.1° |
| C5 | C6 | C7 | H9 | 120.7° | 120.0° |
| C5 | C6 | C7 | H10 | 120.7° | 120.0° |
| C5 | C6 | C7 | O7 | 173.0° | 179.9° |
| C6 | C5 | C4 | H6 | 57.5° | 60.0° |
| C6 | C5 | C4 | H7 | 62.7° | 60.0° |
| C5 | C6 | H9 | H10 | 117.9° | 120.0° |
| C5 | C6 | C7 | H11 | 68.3° | 59.9° |
| C21 | C20 | C17 | C13 | 55.9° | 62.6° |
| C21 | C20 | C17 | C22 | 124.7° | 120.0° |
| C21 | C20 | C17 | H26 | 117.8° | 120.0° |
| C21 | C20 | C17 | C16 | 175.8° | 178.6° |
| C21 | C20 | C22 | H26 | 118.8° | 120.0° |
| C21 | C20 | C22 | C23 | 65.9° | 65.0° |
| C21 | C20 | C22 | H24 | 173.0° | 55.0° |
| C21 | C20 | C22 | H25 | 55.3° | 175.0° |
| C20 | C21 | H27 | H28 | 120.0° | 120.0° |
| C20 | C21 | H27 | H29 | 120.0° | 120.0° |
| C20 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | C20 | C17 | H30 | 67.4° | 59.4° |
| C18 | C13 | C14 | C17 | 119.2° | 117.0° |
| C18 | C13 | C14 | C8 | 55.7° | 49.3° |
| C18 | C13 | C14 | C15 | 74.7° | 72.6° |
| C18 | C13 | C17 | C20 | 40.8° | 31.2° |
| C18 | C13 | C17 | C16 | 82.9° | 87.7° |
| C18 | C13 | C17 | H30 | 164.2° | 153.2° |
| C13 | C18 | H31 | H32 | 120.0° | 120.0° |
| C13 | C18 | H31 | H33 | 120.0° | 119.9° |
| C13 | C18 | H32 | H33 | 120.0° | 120.0° |
| C18 | C13 | C14 | H34 | 173.4° | 169.5° |
| C18 | C13 | C12 | H39 | 172.7° | 175.1° |
| C18 | C13 | C12 | H40 | 53.6° | 64.2° |
| C13 | C14 | C8 | C15 | 123.2° | 112.5° |
| C13 | C14 | C8 | H34 | 117.7° | 120.2° |
| C13 | C14 | C8 | C7 | 178.7° | 176.7° |
| C13 | C14 | C15 | H34 | 111.9° | 117.5° |
| C14 | C13 | C17 | C20 | 162.6° | 148.2° |
| C14 | C13 | C17 | C16 | 38.9° | 29.2° |
| C13 | C14 | C15 | C16 | 32.1° | 41.6° |
| C13 | C14 | C8 | H12 | 58.1° | 55.7° |
| C14 | C13 | C17 | H30 | 74.0° | 89.8° |
| C14 | C13 | C18 | H31 | 62.8° | 60.0° |
| C14 | C13 | C18 | H32 | 177.2° | 180.0° |
| C14 | C13 | C18 | H33 | 57.2° | 60.0° |
| C13 | C14 | C15 | H35 | 87.1° | 76.8° |
| C13 | C14 | C15 | H36 | 151.2° | 160.0° |
| C14 | C13 | C12 | H39 | 64.3° | 56.1° |
| C14 | C13 | C12 | H40 | 176.7° | 176.8° |
| C17 | C13 | C14 | C8 | 174.8° | 166.3° |
| C17 | C13 | C14 | C15 | 44.5° | 44.4° |
| C13 | C17 | C20 | C16 | 119.9° | 115.9° |
| C13 | C17 | C20 | H30 | 123.3° | 122.1° |
| C13 | C17 | C16 | H30 | 112.8° | 119.1° |
| C13 | C17 | C20 | C22 | 179.4° | 177.4° |
| C13 | C17 | C16 | C15 | 19.7° | 3.5° |
| C13 | C17 | C20 | H26 | 61.9° | 57.3° |
| C17 | C13 | C18 | H31 | 51.2° | 52.9° |
| C17 | C13 | C18 | H32 | 68.8° | 67.2° |
| C17 | C13 | C18 | H33 | 171.2° | 172.8° |
| C17 | C13 | C14 | H34 | 67.5° | 73.5° |
| C13 | C17 | C16 | H37 | 139.5° | 122.7° |
| C13 | C17 | C16 | H38 | 100.1° | 115.8° |
| C17 | C13 | C12 | H39 | 46.9° | 59.9° |
| C17 | C13 | C12 | H40 | 72.1° | 60.8° |
| C14 | C8 | C7 | H12 | 120.5° | 121.1° |
| C14 | C8 | C7 | C6 | 179.0° | 178.0° |
| C8 | C14 | C15 | H34 | 119.0° | 127.0° |
| C14 | C8 | C7 | O7 | 64.4° | 62.0° |
| C8 | C14 | C15 | C16 | 161.2° | 157.2° |
| C14 | C8 | C7 | H11 | 58.0° | 58.0° |
| C14 | C8 | C9 | H13 | 69.9° | 61.5° |
| C8 | C14 | C15 | H35 | 42.0° | 38.8° |
| C8 | C14 | C15 | H36 | 79.6° | 84.5° |
| C8 | C7 | C6 | O7 | 120.3° | 120.0° |
| C8 | C7 | C6 | H11 | 121.0° | 120.0° |
| C7 | C8 | C14 | C15 | 55.5° | 64.2° |
| C8 | C7 | O7 | H11 | 121.6° | 120.0° |
| C8 | C7 | C6 | H9 | 68.0° | 60.0° |
| C8 | C7 | C6 | H10 | 173.4° | 179.9° |
| C7 | C8 | C9 | H13 | 54.6° | 58.0° |
| C7 | C8 | C14 | H34 | 63.6° | 63.0° |
| C8 | C7 | O7 | H44 | 180.0° | 180.0° |
| C6 | C7 | O7 | H11 | 117.9° | 120.0° |
| C7 | C6 | C5 | H8 | 164.8° | 179.9° |
| C7 | C6 | H9 | H10 | 117.9° | 119.9° |
| C6 | C7 | C8 | H12 | 60.4° | 60.9° |
| C6 | C7 | O7 | H44 | 59.5° | 60.0° |
| C14 | C15 | C16 | C17 | 7.4° | 24.0° |
| C14 | C15 | C16 | H35 | 119.2° | 118.4° |
| C14 | C15 | C16 | H36 | 119.2° | 118.3° |
| C15 | C14 | C8 | H12 | 65.1° | 56.8° |
| C14 | C15 | H35 | H36 | 122.4° | 123.2° |
| C14 | C15 | C16 | H37 | 112.4° | 95.2° |
| C14 | C15 | C16 | H38 | 127.1° | 143.2° |
| O7 | C7 | C6 | H9 | 52.3° | 60.0° |
| O7 | C7 | C6 | H10 | 66.3° | 59.9° |
| O7 | C7 | C8 | H12 | 56.2° | 59.1° |
| C20 | C17 | C16 | H30 | 116.7° | 122.0° |
| C17 | C20 | C22 | H26 | 117.5° | 120.0° |
| C17 | C20 | C22 | C23 | 170.5° | 175.0° |
| C20 | C17 | C16 | C15 | 150.2° | 122.4° |
| C17 | C20 | C22 | H24 | 49.4° | 65.0° |
| C17 | C20 | C22 | H25 | 68.4° | 55.0° |
| C17 | C20 | C21 | H27 | 180.0° | 180.0° |
| C17 | C20 | C21 | H28 | 60.0° | 60.0° |
| C17 | C20 | C21 | H29 | 60.0° | 60.0° |
| C20 | C17 | C16 | H37 | 90.0° | 118.4° |
| C20 | C17 | C16 | H38 | 30.4° | 3.2° |
| C16 | C17 | C20 | C22 | 59.5° | 61.4° |
| C17 | C16 | C15 | H37 | 119.8° | 119.2° |
| C17 | C16 | C15 | H38 | 119.8° | 119.2° |
| C16 | C17 | C20 | H26 | 58.0° | 58.6° |
| C17 | C16 | C15 | H35 | 111.8° | 94.4° |
| C17 | C16 | C15 | H36 | 126.6° | 142.3° |
| C17 | C16 | H37 | H38 | 120.6° | 121.5° |
| C20 | C22 | C23 | H24 | 121.1° | 120.0° |
| C20 | C22 | C23 | H25 | 121.1° | 120.0° |
| C20 | C22 | C23 | C24 | 61.5° | 180.0° |
| C20 | C22 | C23 | H22 | 178.4° | 60.0° |
| C20 | C22 | C23 | H23 | 58.7° | 60.0° |
| C20 | C22 | H24 | H25 | 116.4° | 120.0° |
| C22 | C20 | C21 | H27 | 56.4° | 60.0° |
| C22 | C20 | C21 | H28 | 63.7° | 60.0° |
| C22 | C20 | C21 | H29 | 176.4° | 180.0° |
| C22 | C20 | C17 | H30 | 57.3° | 60.6° |
| C22 | C23 | C24 | H22 | 120.2° | 120.0° |
| C22 | C23 | C24 | H23 | 120.2° | 120.0° |
| C22 | C23 | C24 | O25 | 112.8° | 0.1° |
| C22 | C23 | C24 | N26 | 63.4° | 180.0° |
| C22 | C23 | H22 | H23 | 119.5° | 120.0° |
| C23 | C22 | H24 | H25 | 116.4° | 120.0° |
| C23 | C22 | C20 | H26 | 53.0° | 55.0° |
| C23 | C24 | O25 | N26 | 175.9° | 179.9° |
| C23 | C24 | N26 | C25 | 165.5° | 180.0° |
| C23 | C24 | N26 | H17 | 14.5° | 0.1° |
| C24 | C23 | H22 | H23 | 119.5° | 119.9° |
| C24 | C23 | C22 | H24 | 59.7° | 60.0° |
| C24 | C23 | C22 | H25 | 177.4° | 60.1° |
| C15 | C16 | C17 | H30 | 93.1° | 115.6° |
| C16 | C15 | C14 | H34 | 79.8° | 75.9° |
| C16 | C15 | H35 | H36 | 122.4° | 123.2° |
| C15 | C16 | H37 | H38 | 120.7° | 121.6° |
| O25 | C24 | N26 | C25 | 10.5° | 0.0° |
| O25 | C24 | N26 | H17 | 169.5° | 180.0° |
| O25 | C24 | C23 | H22 | 127.0° | 120.0° |
| O25 | C24 | C23 | H23 | 7.4° | 120.0° |
| C24 | N26 | C25 | H17 | 180.0° | 180.0° |
| C24 | N26 | C25 | C26 | 102.5° | 180.0° |
| C24 | N26 | C25 | H18 | 18.2° | 60.0° |
| C24 | N26 | C25 | H19 | 136.9° | 60.0° |
| N26 | C24 | C23 | H22 | 56.7° | 59.9° |
| N26 | C24 | C23 | H23 | 176.4° | 60.0° |
| N26 | C25 | C26 | H18 | 120.7° | 120.1° |
| N26 | C25 | C26 | H19 | 120.7° | 120.0° |
| N26 | C25 | C26 | S27 | 148.3° | 180.0° |
| N26 | C25 | H18 | H19 | 117.9° | 120.0° |
| N26 | C25 | C26 | H20 | 91.6° | 60.0° |
| N26 | C25 | C26 | H21 | 28.2° | 60.0° |
| C25 | C26 | S27 | O28 | 50.4° | 68.4° |
| C25 | C26 | S27 | H20 | 120.1° | 120.0° |
| C25 | C26 | S27 | H21 | 120.1° | 120.0° |
| C25 | C26 | S27 | O30 | 70.9° | 68.4° |
| C25 | C26 | S27 | O29 | 168.2° | 180.0° |
| C26 | C25 | N26 | H17 | 77.5° | 0.0° |
| C26 | C25 | H18 | H19 | 117.8° | 119.9° |
| C25 | C26 | H20 | H21 | 119.7° | 120.0° |
| O28 | S27 | C26 | O30 | 121.3° | 136.7° |
| O28 | S27 | C26 | O29 | 117.8° | 111.6° |
| O28 | S27 | O30 | O29 | 117.7° | 116.8° |
| O28 | S27 | C26 | H20 | 170.4° | 51.6° |
| O28 | S27 | C26 | H21 | 69.8° | 171.6° |
| O28 | S27 | O29 | H45 | 0.0° | 64.0° |
| C26 | S27 | O30 | O29 | 121.0° | 111.7° |
| S27 | C26 | C25 | H18 | 27.7° | 60.0° |
| S27 | C26 | C25 | H19 | 91.0° | 60.0° |
| S27 | C26 | H20 | H21 | 119.7° | 120.0° |
| C26 | S27 | O29 | H45 | 120.1° | 180.0° |
| O30 | S27 | C26 | H20 | 49.2° | 171.6° |
| O30 | S27 | C26 | H21 | 169.0° | 51.7° |
| O30 | S27 | O29 | H45 | 119.9° | 63.9° |
| O29 | S27 | C26 | H20 | 71.7° | 60.0° |
| O29 | S27 | C26 | H21 | 48.1° | 60.0° |
| H1 | C1 | C2 | H3 | 63.4° | 60.0° |
| H1 | C1 | C2 | H4 | 57.3° | 60.1° |
| H2 | C1 | C2 | H3 | 178.0° | 60.0° |
| H2 | C1 | C2 | H4 | 61.3° | 179.9° |
| H3 | C2 | C3 | H5 | 169.1° | 59.9° |
| H4 | C2 | C3 | H5 | 70.3° | 179.9° |
| H5 | C3 | C4 | H6 | 66.6° | 59.9° |
| H5 | C3 | C4 | H7 | 173.1° | 179.9° |
| H5 | C3 | O3 | H16 | 59.6° | 60.0° |
| H6 | C4 | C5 | H8 | 56.9° | 60.1° |
| H7 | C4 | C5 | H8 | 177.2° | 180.0° |
| H8 | C5 | C6 | H9 | 44.1° | 59.9° |
| H8 | C5 | C6 | H10 | 74.5° | 60.1° |
| H9 | C6 | C7 | H11 | 171.0° | 179.9° |
| H10 | C6 | C7 | H11 | 52.4° | 60.1° |
| H11 | C7 | C8 | H12 | 178.5° | 179.1° |
| H11 | C7 | O7 | H44 | 58.4° | 60.0° |
| H12 | C8 | C9 | H13 | 172.5° | 178.8° |
| H12 | C8 | C14 | H34 | 175.8° | 175.9° |
| H13 | C9 | C11 | H14 | 167.5° | 55.2° |
| H13 | C9 | C11 | H15 | 49.4° | 174.2° |
| H14 | C11 | C12 | H39 | 169.1° | 58.4° |
| H14 | C11 | C12 | H40 | 50.1° | 62.7° |
| H15 | C11 | C12 | H39 | 51.0° | 177.4° |
| H15 | C11 | C12 | H40 | 68.0° | 56.3° |
| H17 | N26 | C25 | H18 | 161.8° | 120.0° |
| H17 | N26 | C25 | H19 | 43.1° | 120.0° |
| H18 | C25 | C26 | H20 | 147.7° | 179.9° |
| H18 | C25 | C26 | H21 | 92.4° | 60.1° |
| H19 | C25 | C26 | H20 | 29.1° | 60.0° |
| H19 | C25 | C26 | H21 | 148.9° | 180.0° |
| H22 | C23 | C22 | H24 | 60.5° | 180.0° |
| H22 | C23 | C22 | H25 | 57.3° | 60.0° |
| H23 | C23 | C22 | H24 | 179.9° | 59.9° |
| H23 | C23 | C22 | H25 | 62.4° | 180.0° |
| H24 | C22 | C20 | H26 | 68.2° | 175.0° |
| H25 | C22 | C20 | H26 | 174.1° | 65.0° |
| H26 | C20 | C21 | H27 | 62.3° | 60.0° |
| H26 | C20 | C21 | H28 | 177.6° | NaN° |
| H26 | C20 | C21 | H29 | 57.7° | 59.9° |
| H26 | C20 | C17 | H30 | 174.8° | 179.4° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| H30 | C17 | C16 | H37 | 26.7° | 3.6° |
| H30 | C17 | C16 | H38 | 147.1° | 125.1° |
| H31 | C18 | H32 | H33 | 120.0° | 120.0° |
| H34 | C14 | C15 | H35 | 161.0° | 165.7° |
| H34 | C14 | C15 | H36 | 39.4° | 42.5° |
| H35 | C15 | C16 | H37 | 128.4° | 146.4° |
| H35 | C15 | C16 | H38 | 8.0° | 24.8° |
| H36 | C15 | C16 | H37 | 6.8° | 23.1° |
| H36 | C15 | C16 | H38 | 113.7° | 98.5° |
| H41 | C19 | H42 | H43 | 120.0° | 120.0° |
