9TP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.47Å | Aromatic |
| C1 | O11 | sing | 1.36Å | 1.43Å | |
| C2 | C3 | sing | 1.38Å | 1.50Å | Aromatic |
| C2 | O13 | sing | 1.36Å | 1.44Å | |
| C3 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.46Å | Aromatic |
| C4 | C7 | sing | 1.52Å | 1.63Å | |
| C5 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C5 | C10 | sing | 1.52Å | 1.54Å | |
| C7 | C8 | sing | 1.52Å | 1.45Å | |
| C7 | C17 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.56Å | 1.59Å | |
| C8 | C14 | sing | 1.50Å | 1.27Å | |
| C9 | C10 | sing | 1.52Å | 1.57Å | |
| C9 | C16 | sing | 1.54Å | 1.29Å | |
| C10 | O29 | sing | 1.43Å | 1.41Å | |
| O11 | C12 | sing | 1.44Å | 1.45Å | |
| C12 | O13 | sing | 1.44Å | 1.42Å | |
| C14 | O15 | sing | 1.35Å | 1.60Å | |
| C14 | O23 | doub | 1.21Å | 1.23Å | |
| O15 | C16 | sing | 1.47Å | 1.42Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | O27 | sing | 1.36Å | 1.45Å | |
| C20 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | O26 | sing | 1.36Å | 1.44Å | |
| C21 | C22 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | O24 | sing | 1.36Å | 1.48Å | |
| O24 | C25 | sing | 1.43Å | 1.43Å | |
| O27 | C28 | sing | 1.43Å | 1.42Å | |
| O29 | C30 | sing | 1.43Å | 1.33Å | |
| C30 | O31 | sing | 1.43Å | 1.52Å | |
| C30 | C35 | sing | 1.53Å | 1.55Å | |
| O31 | C32 | sing | 1.43Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| C32 | C36 | sing | 1.53Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C33 | O39 | sing | 1.43Å | 1.49Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | O45 | sing | 1.43Å | 1.41Å | |
| C35 | O46 | sing | 1.43Å | 1.41Å | |
| C36 | O37 | sing | 1.43Å | 1.44Å | |
| O37 | C38 | sing | 1.43Å | 1.48Å | |
| C38 | O39 | sing | 1.43Å | 1.50Å | |
| C38 | C40 | sing | 1.51Å | 1.54Å | |
| C40 | S1 | sing | 1.76Å | 1.66Å | Aromatic |
| C40 | C44 | doub | 1.33Å | 1.47Å | Aromatic |
| S1 | C42 | sing | 1.76Å | 1.64Å | Aromatic |
| C42 | C43 | doub | 1.33Å | 1.46Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.55Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| O26 | H16 | sing | 0.97Å | 0.95Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.08Å | 1.08Å | |
| C44 | H30 | sing | 1.08Å | 1.08Å | |
| O45 | H31 | sing | 0.97Å | 0.95Å | |
| O46 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.3° | 119.6° |
| C2 | C1 | O11 | 107.7° | 108.6° |
| C1 | C2 | C3 | 120.8° | 119.6° |
| C1 | C2 | O13 | 107.3° | 108.6° |
| C6 | C1 | O11 | 130.9° | 131.8° |
| C1 | C6 | C5 | 118.4° | 120.6° |
| C1 | C6 | H2 | 120.8° | 119.7° |
| C1 | O11 | C12 | 105.8° | 105.4° |
| C3 | C2 | O13 | 131.9° | 131.8° |
| C2 | C3 | C4 | 117.7° | 120.6° |
| C2 | C3 | H1 | 121.1° | 119.7° |
| C2 | O13 | C12 | 106.3° | 105.4° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C3 | C4 | C7 | 117.0° | 117.3° |
| C4 | C3 | H1 | 121.1° | 119.8° |
| C5 | C4 | C7 | 122.3° | 122.8° |
| C4 | C5 | C6 | 121.1° | 119.8° |
| C4 | C5 | C10 | 118.1° | 123.0° |
| C4 | C7 | C8 | 113.7° | 107.9° |
| C4 | C7 | C17 | 118.8° | 109.8° |
| C4 | C7 | H3 | 104.3° | 109.9° |
| C6 | C5 | C10 | 120.8° | 117.3° |
| C5 | C6 | H2 | 120.8° | 119.8° |
| C5 | C10 | C9 | 106.8° | 107.8° |
| C5 | C10 | O29 | 106.7° | 109.8° |
| C5 | C10 | H6 | 110.8° | 109.8° |
| C8 | C7 | C17 | 107.7° | 109.7° |
| C7 | C8 | C9 | 110.9° | 106.1° |
| C7 | C8 | C14 | 123.7° | 116.6° |
| C8 | C7 | H3 | 106.1° | 109.8° |
| C7 | C8 | H4 | 103.5° | 110.3° |
| C7 | C17 | C18 | 114.1° | 119.9° |
| C7 | C17 | C22 | 126.4° | 119.9° |
| C17 | C7 | H3 | 105.1° | 109.8° |
| C9 | C8 | C14 | 108.5° | 101.7° |
| C8 | C9 | C10 | 108.2° | 105.6° |
| C8 | C9 | C16 | 108.0° | 98.5° |
| C9 | C8 | H4 | 102.3° | 110.5° |
| C8 | C9 | H5 | 106.3° | 112.3° |
| C8 | C14 | O15 | 103.0° | 108.3° |
| C8 | C14 | O23 | 131.7° | 125.9° |
| C14 | C8 | H4 | 105.5° | 111.0° |
| C10 | C9 | C16 | 117.1° | 115.1° |
| C9 | C10 | O29 | 109.1° | 109.8° |
| C10 | C9 | H5 | 106.4° | 111.9° |
| C9 | C10 | H6 | 110.3° | 109.7° |
| C9 | C16 | O15 | 107.9° | 103.0° |
| C16 | C9 | H5 | 110.3° | 112.4° |
| C9 | C16 | H9 | 109.8° | 110.7° |
| C9 | C16 | H10 | 109.8° | 110.7° |
| C10 | O29 | C30 | 112.7° | 114.0° |
| O29 | C10 | H6 | 112.9° | 109.8° |
| O11 | C12 | O13 | 105.0° | 103.7° |
| O11 | C12 | H7 | 110.6° | 110.5° |
| O11 | C12 | H8 | 110.6° | 110.6° |
| O13 | C12 | H7 | 110.6° | 110.5° |
| O13 | C12 | H8 | 110.6° | 110.8° |
| O15 | C14 | O23 | 125.3° | 125.8° |
| C14 | O15 | C16 | 107.7° | 110.8° |
| O15 | C16 | H9 | 109.9° | 110.7° |
| O15 | C16 | H10 | 109.9° | 110.7° |
| C18 | C17 | C22 | 119.4° | 120.2° |
| C17 | C18 | C19 | 122.0° | 120.1° |
| C17 | C18 | H11 | 119.0° | 119.9° |
| C17 | C22 | C21 | 119.0° | 120.1° |
| C17 | C22 | H12 | 120.5° | 120.0° |
| C18 | C19 | C20 | 118.9° | 119.9° |
| C18 | C19 | O27 | 117.0° | 120.1° |
| C19 | C18 | H11 | 119.0° | 119.9° |
| C20 | C19 | O27 | 124.1° | 120.1° |
| C19 | C20 | C21 | 119.6° | 119.9° |
| C19 | C20 | O26 | 121.0° | 120.1° |
| C19 | O27 | C28 | 114.3° | 117.0° |
| C21 | C20 | O26 | 119.4° | 120.1° |
| C20 | C21 | C22 | 121.1° | 119.9° |
| C20 | C21 | O24 | 117.9° | 120.1° |
| C20 | O26 | H16 | 109.5° | 114.0° |
| C22 | C21 | O24 | 120.9° | 120.0° |
| C21 | C22 | H12 | 120.5° | 120.0° |
| C21 | O24 | C25 | 115.9° | 117.0° |
| O24 | C25 | H13 | 109.5° | 109.5° |
| O24 | C25 | H14 | 109.5° | 109.4° |
| O24 | C25 | H15 | 109.5° | 109.5° |
| O27 | C28 | H17 | 109.5° | 109.5° |
| O27 | C28 | H18 | 109.5° | 109.5° |
| O27 | C28 | H19 | 109.5° | 109.5° |
| O29 | C30 | O31 | 111.4° | 109.4° |
| O29 | C30 | C35 | 114.4° | 109.4° |
| O29 | C30 | H20 | 110.4° | 109.4° |
| O31 | C30 | C35 | 105.0° | 110.0° |
| C30 | O31 | C32 | 107.5° | 113.3° |
| O31 | C30 | H20 | 107.8° | 109.4° |
| C30 | C35 | C34 | 111.8° | 109.7° |
| C30 | C35 | O46 | 108.7° | 109.4° |
| C35 | C30 | H20 | 107.5° | 109.3° |
| C30 | C35 | H24 | 107.3° | 109.4° |
| O31 | C32 | C33 | 114.3° | 108.9° |
| O31 | C32 | C36 | 112.1° | 111.3° |
| O31 | C32 | H21 | 104.8° | 109.4° |
| C33 | C32 | C36 | 114.8° | 108.4° |
| C32 | C33 | C34 | 109.3° | 108.6° |
| C32 | C33 | O39 | 112.1° | 108.6° |
| C33 | C32 | H21 | 104.6° | 109.4° |
| C32 | C33 | H22 | 107.9° | 109.5° |
| C32 | C36 | O37 | 103.3° | 108.3° |
| C36 | C32 | H21 | 104.8° | 109.4° |
| C32 | C36 | H25 | 111.0° | 109.7° |
| C32 | C36 | H26 | 111.0° | 109.6° |
| C34 | C33 | O39 | 112.7° | 111.2° |
| C33 | C34 | C35 | 113.2° | 108.5° |
| C33 | C34 | O45 | 111.6° | 109.6° |
| C34 | C33 | H22 | 106.8° | 109.5° |
| C33 | C34 | H23 | 106.3° | 109.6° |
| C33 | O39 | C38 | 112.8° | 113.1° |
| O39 | C33 | H22 | 107.7° | 109.5° |
| C35 | C34 | O45 | 111.1° | 109.6° |
| C34 | C35 | O46 | 112.7° | 109.5° |
| C35 | C34 | H23 | 106.3° | 109.7° |
| C34 | C35 | H24 | 107.1° | 109.4° |
| O45 | C34 | H23 | 108.0° | 109.8° |
| C34 | O45 | H31 | 109.5° | 113.9° |
| O46 | C35 | H24 | 109.0° | 109.4° |
| C35 | O46 | H32 | 109.5° | 114.0° |
| C36 | O37 | C38 | 106.0° | 114.4° |
| O37 | C36 | H25 | 111.0° | 109.7° |
| O37 | C36 | H26 | 111.0° | 109.7° |
| O37 | C38 | O39 | 117.1° | 110.1° |
| O37 | C38 | C40 | 153.4° | 109.3° |
| O37 | C38 | H27 | 102.3° | 109.4° |
| O39 | C38 | C40 | 67.9° | 109.3° |
| O39 | C38 | H27 | 102.2° | 109.3° |
| C38 | C40 | S1 | 130.3° | 125.2° |
| C38 | C40 | C44 | 120.9° | 125.2° |
| C40 | C38 | H27 | 101.9° | 109.3° |
| S1 | C40 | C44 | 108.5° | 109.6° |
| C40 | S1 | C42 | 101.7° | 91.0° |
| C40 | C44 | C43 | 110.4° | 114.9° |
| C40 | C44 | H30 | 124.8° | 122.5° |
| S1 | C42 | C43 | 109.6° | 109.6° |
| S1 | C42 | H28 | 125.2° | 125.2° |
| C42 | C43 | C44 | 109.7° | 114.9° |
| C43 | C42 | H28 | 125.2° | 125.2° |
| C42 | C43 | H29 | 125.1° | 122.5° |
| C44 | C43 | H29 | 125.1° | 122.5° |
| C43 | C44 | H30 | 124.8° | 122.5° |
| H7 | C12 | H8 | 109.5° | 110.6° |
| H9 | C16 | H10 | 109.5° | 110.8° |
| H13 | C25 | H14 | 109.4° | 109.4° |
| H13 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H17 | C28 | H19 | 109.4° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.4° |
| H25 | C36 | H26 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O11 | 179.3° | 179.7° |
| C1 | C2 | C3 | O13 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | O11 | C12 | 16.5° | 17.4° |
| C1 | C2 | O13 | C12 | 17.4° | 17.4° |
| C1 | C2 | C3 | H1 | 179.3° | 179.9° |
| C2 | C1 | C6 | H2 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | O13 | 179.7° | 179.7° |
| C1 | C6 | C5 | C4 | 0.7° | 0.5° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C10 | 179.2° | 178.6° |
| C6 | C1 | O11 | C12 | 162.8° | 162.2° |
| O11 | C1 | C2 | C3 | 179.6° | 180.0° |
| O11 | C1 | C2 | O13 | 0.3° | 0.0° |
| O11 | C1 | C6 | C5 | 179.5° | 179.6° |
| C1 | O11 | C12 | O13 | 27.1° | 27.4° |
| O11 | C1 | C6 | H2 | 0.5° | 0.5° |
| C1 | O11 | C12 | H7 | 92.2° | 145.8° |
| C1 | O11 | C12 | H8 | 146.4° | 91.4° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.6° | 0.6° |
| C2 | C3 | C4 | C7 | 178.8° | 178.7° |
| C3 | C2 | O13 | C12 | 162.5° | 162.5° |
| O13 | C2 | C3 | C4 | 179.5° | 180.0° |
| C2 | O13 | C12 | O11 | 27.2° | 27.4° |
| O13 | C2 | C3 | H1 | 0.6° | 0.1° |
| C2 | O13 | C12 | H7 | 92.1° | 145.8° |
| C2 | O13 | C12 | H8 | 146.5° | 91.3° |
| C3 | C4 | C5 | C7 | 177.0° | 179.2° |
| C3 | C4 | C5 | C6 | 1.6° | 0.8° |
| C3 | C4 | C5 | C10 | 178.2° | 178.3° |
| C3 | C4 | C7 | C8 | 178.3° | 162.1° |
| C3 | C4 | C7 | C17 | 53.3° | 78.4° |
| C3 | C4 | C7 | H3 | 63.2° | 42.4° |
| C4 | C5 | C6 | C10 | 179.8° | 179.2° |
| C5 | C4 | C7 | C8 | 1.2° | 17.2° |
| C5 | C4 | C7 | C17 | 129.5° | 102.4° |
| C4 | C5 | C10 | C9 | 32.1° | 18.0° |
| C4 | C5 | C10 | O29 | 84.5° | 101.6° |
| C5 | C4 | C3 | H1 | 178.4° | 179.5° |
| C4 | C5 | C6 | H2 | 179.3° | 179.3° |
| C5 | C4 | C7 | H3 | 113.9° | 136.8° |
| C4 | C5 | C10 | H6 | 152.3° | 137.6° |
| C7 | C4 | C5 | C6 | 178.6° | 178.4° |
| C7 | C4 | C5 | C10 | 1.2° | 2.5° |
| C4 | C7 | C8 | C17 | 133.8° | 119.6° |
| C4 | C7 | C8 | H3 | 114.0° | 119.7° |
| C4 | C7 | C17 | H3 | 116.1° | 120.9° |
| C4 | C7 | C8 | C9 | 32.6° | 55.2° |
| C4 | C7 | C8 | C14 | 164.2° | 167.7° |
| C4 | C7 | C17 | C18 | 127.8° | 147.7° |
| C4 | C7 | C17 | C22 | 55.8° | 32.0° |
| C7 | C4 | C3 | H1 | 1.2° | 1.2° |
| C4 | C7 | C8 | H4 | 76.4° | 64.5° |
| C6 | C5 | C10 | C9 | 148.1° | 161.1° |
| C6 | C5 | C10 | O29 | 95.4° | 79.3° |
| C6 | C5 | C10 | H6 | 27.9° | 41.6° |
| C5 | C10 | C9 | C8 | 66.4° | 55.8° |
| C5 | C10 | C9 | O29 | 114.9° | 119.6° |
| C5 | C10 | C9 | H6 | 120.4° | 119.6° |
| C5 | C10 | C9 | C16 | 171.3° | 163.3° |
| C5 | C10 | O29 | H6 | 121.9° | 120.9° |
| C5 | C10 | O29 | C30 | 134.9° | 90.0° |
| C10 | C5 | C6 | H2 | 0.8° | 1.5° |
| C5 | C10 | C9 | H5 | 47.5° | 66.8° |
| C8 | C7 | C17 | H3 | 112.8° | 120.7° |
| C7 | C8 | C9 | C14 | 139.0° | 122.5° |
| C7 | C8 | C9 | H4 | 109.8° | 119.6° |
| C7 | C8 | C14 | H4 | 118.5° | 127.5° |
| C7 | C8 | C9 | C10 | 69.2° | 78.8° |
| C7 | C8 | C9 | C16 | 163.2° | 162.0° |
| C7 | C8 | C14 | O15 | 151.1° | 142.7° |
| C7 | C8 | C14 | O23 | 31.3° | 37.4° |
| C8 | C7 | C17 | C18 | 101.2° | 93.9° |
| C8 | C7 | C17 | C22 | 75.3° | 86.4° |
| C7 | C8 | C9 | H5 | 44.8° | 43.4° |
| C17 | C7 | C8 | C9 | 101.2° | 64.3° |
| C17 | C7 | C8 | C14 | 30.4° | 48.1° |
| C7 | C17 | C18 | C22 | 176.7° | 179.7° |
| C7 | C17 | C18 | C19 | 178.0° | 180.0° |
| C7 | C17 | C22 | C21 | 177.8° | 179.7° |
| C17 | C7 | C8 | H4 | 149.8° | 175.9° |
| C7 | C17 | C18 | H11 | 2.0° | 0.0° |
| C7 | C17 | C22 | H12 | 2.3° | 0.0° |
| C9 | C8 | C14 | H4 | 109.0° | 117.6° |
| C8 | C9 | C10 | C16 | 122.3° | 107.5° |
| C8 | C9 | C10 | H5 | 113.9° | 122.5° |
| C8 | C9 | C16 | H5 | 115.8° | 118.5° |
| C8 | C9 | C10 | O29 | 48.5° | 63.8° |
| C9 | C8 | C14 | O15 | 18.6° | 27.7° |
| C9 | C8 | C14 | O23 | 163.9° | 152.3° |
| C8 | C9 | C16 | O15 | 15.9° | 38.2° |
| C9 | C8 | C7 | H3 | 146.6° | 174.9° |
| C8 | C9 | C10 | H6 | 173.2° | 175.4° |
| C8 | C9 | C16 | H9 | 135.7° | 156.5° |
| C8 | C9 | C16 | H10 | 103.9° | 80.2° |
| C14 | C8 | C9 | C10 | 151.9° | 158.7° |
| C14 | C8 | C9 | C16 | 24.2° | 39.5° |
| C8 | C14 | O15 | O23 | 177.8° | 180.0° |
| C8 | C14 | O15 | C16 | 10.2° | 2.9° |
| C14 | C8 | C7 | H3 | 81.8° | 72.6° |
| C14 | C8 | C9 | H5 | 94.2° | 79.0° |
| C10 | C9 | C16 | H5 | 121.8° | 129.7° |
| C9 | C10 | O29 | H6 | 123.1° | 120.8° |
| C10 | C9 | C16 | O15 | 138.3° | 150.0° |
| C9 | C10 | O29 | C30 | 110.1° | 151.7° |
| C10 | C9 | C8 | H4 | 40.7° | 40.8° |
| C10 | C9 | C16 | H9 | 101.9° | 91.7° |
| C10 | C9 | C16 | H10 | 18.5° | 31.6° |
| C16 | C9 | C10 | O29 | 73.8° | 43.6° |
| C9 | C16 | O15 | C14 | 5.2° | 23.7° |
| C9 | C16 | O15 | H9 | 119.8° | 118.3° |
| C9 | C16 | O15 | H10 | 119.8° | 118.4° |
| C16 | C9 | C8 | H4 | 87.0° | 78.4° |
| C16 | C9 | C10 | H6 | 50.9° | 77.2° |
| C9 | C16 | H9 | H10 | 120.7° | 123.2° |
| C10 | O29 | C30 | O31 | 76.5° | 65.0° |
| C10 | O29 | C30 | C35 | 164.6° | 174.4° |
| O29 | C10 | C9 | H5 | 162.4° | 173.6° |
| C10 | O29 | C30 | H20 | 43.2° | 54.7° |
| O11 | C12 | O13 | H7 | 119.3° | 118.5° |
| O11 | C12 | O13 | H8 | 119.3° | 118.7° |
| O11 | C12 | H7 | H8 | 122.1° | 122.8° |
| O13 | C12 | H7 | H8 | 122.1° | 123.0° |
| O15 | C14 | C8 | H4 | 90.4° | 89.8° |
| C14 | O15 | C16 | H9 | 125.0° | 142.1° |
| C14 | O15 | C16 | H10 | 114.6° | 94.7° |
| O23 | C14 | O15 | C16 | 172.1° | 177.2° |
| O23 | C14 | C8 | H4 | 87.1° | 90.1° |
| O15 | C16 | C9 | H5 | 99.9° | 80.3° |
| O15 | C16 | H9 | H10 | 120.7° | 123.3° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | O27 | 179.3° | 180.0° |
| C18 | C17 | C22 | C21 | 1.5° | 0.6° |
| C18 | C17 | C7 | H3 | 11.6° | 26.8° |
| C18 | C17 | C22 | H12 | 178.5° | 179.7° |
| C22 | C17 | C18 | C19 | 1.3° | 0.3° |
| C17 | C22 | C21 | C20 | 0.6° | 0.6° |
| C17 | C22 | C21 | H12 | 180.0° | 179.7° |
| C17 | C22 | C21 | O24 | 179.2° | 179.7° |
| C22 | C17 | C7 | H3 | 171.9° | 152.9° |
| C22 | C17 | C18 | H11 | 178.7° | 179.7° |
| C18 | C19 | C20 | O27 | 179.6° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C18 | C19 | C20 | O26 | 179.9° | 179.9° |
| C18 | C19 | O27 | C28 | 14.7° | 0.0° |
| C19 | C20 | C21 | O26 | 179.3° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.3° |
| C19 | C20 | C21 | O24 | 179.8° | 180.0° |
| C20 | C19 | O27 | C28 | 165.7° | 179.9° |
| C20 | C19 | C18 | H11 | 179.7° | 180.0° |
| C19 | C20 | O26 | H16 | 180.0° | 90.0° |
| O27 | C19 | C20 | C21 | 179.8° | 180.0° |
| O27 | C19 | C20 | O26 | 0.5° | 0.0° |
| O27 | C19 | C18 | H11 | 0.7° | 0.0° |
| C19 | O27 | C28 | H17 | 180.0° | 60.0° |
| C19 | O27 | C28 | H18 | 60.0° | 60.1° |
| C19 | O27 | C28 | H19 | 60.0° | 180.0° |
| C20 | C21 | C22 | O24 | 179.8° | 179.7° |
| C20 | C21 | O24 | C25 | 61.5° | 180.0° |
| C20 | C21 | C22 | H12 | 179.4° | 179.7° |
| C21 | C20 | O26 | H16 | 0.7° | 90.0° |
| O26 | C20 | C21 | C22 | 179.7° | 179.8° |
| O26 | C20 | C21 | O24 | 0.4° | 0.0° |
| C22 | C21 | O24 | C25 | 118.7° | 0.3° |
| O24 | C21 | C22 | H12 | 0.8° | 0.0° |
| C21 | O24 | C25 | H13 | 180.0° | 60.0° |
| C21 | O24 | C25 | H14 | 60.0° | 60.0° |
| C21 | O24 | C25 | H15 | 60.0° | 180.0° |
| O24 | C25 | H13 | H14 | 120.0° | 119.9° |
| O24 | C25 | H13 | H15 | 120.0° | 120.1° |
| O24 | C25 | H14 | H15 | 120.0° | 120.0° |
| O27 | C28 | H17 | H18 | 120.0° | 120.1° |
| O27 | C28 | H17 | H19 | 120.0° | 120.0° |
| O27 | C28 | H18 | H19 | 120.0° | 120.0° |
| O29 | C30 | O31 | C35 | 124.3° | 120.1° |
| O29 | C30 | O31 | H20 | 121.3° | 119.8° |
| O29 | C30 | C35 | H20 | 123.0° | 119.8° |
| O29 | C30 | O31 | C32 | 167.6° | 179.3° |
| O29 | C30 | C35 | C34 | 178.5° | 176.4° |
| O29 | C30 | C35 | O46 | 53.4° | 63.5° |
| C30 | O29 | C10 | H6 | 13.0° | 30.9° |
| O29 | C30 | C35 | H24 | 64.3° | 56.3° |
| O31 | C30 | C35 | H20 | 114.6° | 120.1° |
| C30 | O31 | C32 | C33 | 69.3° | 62.5° |
| C30 | O31 | C32 | C36 | 157.8° | 178.0° |
| O31 | C30 | C35 | C34 | 59.1° | 56.3° |
| O31 | C30 | C35 | O46 | 175.9° | 176.3° |
| C30 | O31 | C32 | H21 | 44.6° | 57.0° |
| O31 | C30 | C35 | H24 | 58.1° | 63.8° |
| C35 | C30 | O31 | C32 | 68.0° | 60.5° |
| C30 | C35 | C34 | C33 | 48.0° | 56.4° |
| C30 | C35 | C34 | O46 | 122.8° | 120.0° |
| C30 | C35 | C34 | H24 | 117.3° | 120.1° |
| C30 | C35 | C34 | O45 | 174.4° | 176.0° |
| C30 | C35 | O46 | H24 | 116.7° | 119.9° |
| C30 | C35 | C34 | H23 | 68.3° | 63.3° |
| C30 | C35 | O46 | H32 | 180.0° | 60.0° |
| O31 | C32 | C33 | C36 | 131.6° | 121.2° |
| O31 | C32 | C33 | H21 | 114.1° | 119.5° |
| O31 | C32 | C36 | H21 | 113.1° | 121.0° |
| O31 | C32 | C33 | C34 | 54.0° | 60.5° |
| O31 | C32 | C33 | O39 | 179.8° | 178.5° |
| O31 | C32 | C36 | O37 | 157.8° | 175.6° |
| C32 | O31 | C30 | H20 | 46.4° | 59.5° |
| O31 | C32 | C33 | H22 | 61.8° | 59.0° |
| O31 | C32 | C36 | H25 | 83.1° | 55.8° |
| O31 | C32 | C36 | H26 | 38.8° | 64.8° |
| C33 | C32 | C36 | H21 | 114.2° | 119.2° |
| C32 | C33 | C34 | O39 | 125.4° | 119.4° |
| C32 | C33 | C34 | H22 | 116.5° | 119.5° |
| C32 | C33 | O39 | H22 | 118.5° | 119.5° |
| C32 | C33 | C34 | C35 | 42.3° | 58.3° |
| C32 | C33 | C34 | O45 | 168.5° | 177.9° |
| C33 | C32 | C36 | O37 | 69.5° | 55.8° |
| C32 | C33 | O39 | C38 | 29.8° | 59.2° |
| C32 | C33 | C34 | H23 | 74.0° | 61.5° |
| C33 | C32 | C36 | H25 | 49.5° | 63.9° |
| C33 | C32 | C36 | H26 | 171.5° | 175.5° |
| C36 | C32 | C33 | C34 | 174.5° | 178.3° |
| C36 | C32 | C33 | O39 | 48.7° | 57.3° |
| C32 | C36 | O37 | H25 | 119.0° | 119.8° |
| C32 | C36 | O37 | H26 | 119.0° | 119.6° |
| C32 | C36 | O37 | C38 | 69.6° | 57.3° |
| C36 | C32 | C33 | H22 | 69.7° | 62.2° |
| C32 | C36 | H25 | H26 | 122.9° | 120.5° |
| C34 | C33 | O39 | H22 | 117.6° | 121.1° |
| C33 | C34 | C35 | O45 | 126.4° | 119.7° |
| C33 | C34 | C35 | H23 | 116.3° | 119.7° |
| C33 | C34 | O45 | H23 | 116.5° | 120.5° |
| C33 | C34 | C35 | O46 | 170.8° | 176.4° |
| C34 | C33 | O39 | C38 | 153.7° | 178.6° |
| C34 | C33 | C32 | H21 | 60.1° | 59.1° |
| C33 | C34 | C35 | H24 | 69.4° | 63.7° |
| C33 | C34 | O45 | H31 | 180.0° | 180.0° |
| O39 | C33 | C34 | C35 | 167.7° | 177.6° |
| O39 | C33 | C34 | O45 | 66.1° | 62.7° |
| C33 | O39 | C38 | O37 | 37.0° | 58.0° |
| C33 | O39 | C38 | C40 | 171.8° | 178.2° |
| O39 | C33 | C32 | H21 | 65.7° | 62.0° |
| O39 | C33 | C34 | H23 | 51.5° | 57.9° |
| C33 | O39 | C38 | H27 | 73.8° | 62.2° |
| C35 | C34 | O45 | H23 | 116.2° | 120.6° |
| C34 | C35 | O46 | H24 | 118.8° | 119.9° |
| C34 | C35 | C30 | H20 | 55.5° | 63.8° |
| C35 | C34 | C33 | H22 | 74.1° | 61.2° |
| C35 | C34 | O45 | H31 | 52.7° | 61.1° |
| C34 | C35 | O46 | H32 | 55.4° | 179.8° |
| O45 | C34 | C35 | O46 | 62.8° | 64.0° |
| O45 | C34 | C33 | H22 | 52.0° | 58.5° |
| O45 | C34 | C35 | H24 | 57.1° | 55.9° |
| O46 | C35 | C30 | H20 | 69.5° | 56.2° |
| O46 | C35 | C34 | H23 | 54.5° | 56.7° |
| C36 | O37 | C38 | O39 | 58.3° | 57.3° |
| C36 | O37 | C38 | C40 | 152.7° | 177.5° |
| O37 | C36 | C32 | H21 | 44.7° | 63.4° |
| O37 | C36 | H25 | H26 | 122.9° | 120.6° |
| C36 | O37 | C38 | H27 | 52.4° | 62.8° |
| O37 | C38 | O39 | C40 | 151.2° | 120.1° |
| O37 | C38 | O39 | H27 | 110.8° | 120.2° |
| O37 | C38 | C40 | H27 | 154.9° | 119.7° |
| O37 | C38 | C40 | S1 | 157.8° | 120.0° |
| O37 | C38 | C40 | C44 | 29.9° | 60.4° |
| C38 | O37 | C36 | H25 | 49.4° | 62.5° |
| C38 | O37 | C36 | H26 | 171.4° | 176.9° |
| O39 | C38 | C40 | H27 | 98.5° | 119.7° |
| O39 | C38 | C40 | S1 | 51.2° | 0.6° |
| O39 | C38 | C40 | C44 | 136.5° | 179.0° |
| C38 | O39 | C33 | H22 | 88.7° | 60.3° |
| C38 | C40 | S1 | C44 | 173.1° | 179.7° |
| C38 | C40 | S1 | C42 | 175.8° | 179.9° |
| C38 | C40 | C44 | C43 | 176.7° | 179.9° |
| C38 | C40 | C44 | H30 | 3.4° | 0.1° |
| C40 | S1 | C42 | C43 | 1.7° | 0.0° |
| S1 | C40 | C44 | C43 | 2.8° | 0.5° |
| S1 | C40 | C38 | H27 | 47.3° | 120.2° |
| C40 | S1 | C42 | H28 | 178.3° | 179.9° |
| S1 | C40 | C44 | H30 | 177.2° | 179.8° |
| C44 | C40 | S1 | C42 | 2.7° | 0.3° |
| C40 | C44 | C43 | C42 | 1.8° | 0.5° |
| C40 | C44 | C43 | H30 | 180.0° | 179.8° |
| C44 | C40 | C38 | H27 | 125.0° | 59.4° |
| C40 | C44 | C43 | H29 | 178.2° | 179.8° |
| S1 | C42 | C43 | H28 | 180.0° | 180.0° |
| S1 | C42 | C43 | C44 | 0.1° | 0.2° |
| S1 | C42 | C43 | H29 | 179.9° | 180.0° |
| C42 | C43 | C44 | H29 | 180.0° | 179.8° |
| C42 | C43 | C44 | H30 | 178.3° | 179.8° |
| C44 | C43 | C42 | H28 | 179.9° | 179.8° |
| H3 | C7 | C8 | H4 | 37.6° | 55.2° |
| H4 | C8 | C9 | H5 | 154.7° | 163.0° |
| H5 | C9 | C10 | H6 | 72.9° | 52.8° |
| H5 | C9 | C16 | H9 | 19.9° | 38.0° |
| H5 | C9 | C16 | H10 | 140.4° | 161.3° |
| H13 | C25 | H14 | H15 | 120.0° | 120.0° |
| H17 | C28 | H18 | H19 | 120.0° | 119.9° |
| H20 | C30 | C35 | H24 | 172.7° | 176.1° |
| H21 | C32 | C33 | H22 | 175.9° | 178.6° |
| H21 | C32 | C36 | H25 | 163.7° | 176.8° |
| H21 | C32 | C36 | H26 | 74.3° | 56.2° |
| H22 | C33 | C34 | H23 | 169.6° | 179.0° |
| H23 | C34 | C35 | H24 | 174.3° | 176.6° |
| H23 | C34 | O45 | H31 | 63.5° | 59.5° |
| H24 | C35 | O46 | H32 | 63.3° | 59.9° |
| H28 | C42 | C43 | H29 | 0.1° | 0.0° |
| H29 | C43 | C44 | H30 | 1.7° | 0.0° |
