A1EWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C21 | doub | 1.22Å | 1.27Å | |
| C21 | O33 | sing | 1.35Å | 1.25Å | |
| C21 | C22 | sing | 1.47Å | 1.49Å | |
| C27 | C22 | doub | 1.40Å | 1.32Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | O31 | sing | 1.36Å | 1.31Å | |
| C23 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | O30 | sing | 1.36Å | 1.37Å | |
| C24 | N28 | sing | 1.40Å | 1.34Å | |
| N28 | C1 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | sing | 1.55Å | 1.57Å | |
| C11 | C12 | sing | 1.56Å | 1.47Å | |
| O16 | C10 | sing | 1.46Å | 1.45Å | |
| O16 | C15 | sing | 1.45Å | 1.45Å | |
| C17 | C15 | sing | 1.53Å | 1.49Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C1 | O20 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C12 | C15 | sing | 1.56Å | 1.57Å | |
| C12 | C13 | sing | 1.56Å | 1.50Å | |
| C15 | C14 | sing | 1.56Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.54Å | 1.61Å | |
| C13 | C8 | sing | 1.54Å | 1.61Å | |
| C9 | C4 | sing | 1.51Å | 1.56Å | |
| C9 | C8 | sing | 1.52Å | 1.54Å | |
| C14 | C8 | sing | 1.55Å | 1.54Å | |
| C4 | C18 | sing | 1.53Å | 1.59Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C8 | C7 | sing | 1.50Å | 1.52Å | |
| C5 | O19 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.42Å | 1.46Å | |
| C7 | C6 | doub | 1.37Å | 1.43Å | Aromatic |
| C7 | C42 | sing | 1.40Å | 1.53Å | Aromatic |
| C6 | S40 | sing | 1.75Å | 1.76Å | Aromatic |
| C50 | C47 | sing | 1.53Å | 1.51Å | |
| C42 | C43 | doub | 1.42Å | 1.33Å | Aromatic |
| C42 | C41 | sing | 1.41Å | 1.43Å | Aromatic |
| C43 | C44 | sing | 1.37Å | 1.35Å | Aromatic |
| C48 | C47 | sing | 1.53Å | 1.57Å | |
| C47 | C44 | sing | 1.51Å | 1.52Å | |
| C47 | C49 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| S40 | C41 | sing | 1.75Å | 1.63Å | Aromatic |
| C41 | C46 | doub | 1.40Å | 1.36Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.13Å | 1.10Å | |
| N28 | H7 | sing | 0.97Å | 1.00Å | |
| O30 | H8 | sing | 0.97Å | 0.95Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| O31 | H11 | sing | 0.97Å | 0.95Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C46 | H16 | sing | 1.08Å | 1.08Å | |
| C45 | H17 | sing | 1.08Å | 1.08Å | |
| C50 | H18 | sing | 1.09Å | 1.10Å | |
| C50 | H19 | sing | 1.09Å | 1.10Å | |
| C50 | H20 | sing | 1.09Å | 1.10Å | |
| C49 | H21 | sing | 1.09Å | 1.10Å | |
| C49 | H22 | sing | 1.09Å | 1.10Å | |
| C49 | H23 | sing | 1.09Å | 1.10Å | |
| C48 | H24 | sing | 1.09Å | 1.10Å | |
| C48 | H25 | sing | 1.09Å | 1.10Å | |
| C48 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.10Å | 1.10Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.08Å | 1.10Å | |
| C11 | H37 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C21 | O33 | 119.1° | 120.0° |
| O32 | C21 | C22 | 116.8° | 120.0° |
| O33 | C21 | C22 | 123.8° | 120.0° |
| C21 | O33 | H12 | 109.5° | 116.9° |
| C21 | C22 | C27 | 116.6° | 120.1° |
| C21 | C22 | C23 | 126.5° | 120.1° |
| C22 | C27 | C26 | 121.3° | 120.1° |
| C27 | C22 | C23 | 115.7° | 119.8° |
| C22 | C27 | H10 | 119.4° | 120.0° |
| C27 | C26 | C25 | 126.2° | 120.3° |
| C27 | C26 | H9 | 116.9° | 119.8° |
| C26 | C27 | H10 | 119.4° | 119.9° |
| C22 | C23 | O31 | 118.4° | 120.2° |
| C22 | C23 | C24 | 124.1° | 119.6° |
| C26 | C25 | C24 | 115.5° | 120.3° |
| C26 | C25 | O30 | 122.0° | 119.8° |
| C25 | C26 | H9 | 116.9° | 119.9° |
| O31 | C23 | C24 | 117.0° | 120.2° |
| C23 | O31 | H11 | 109.5° | 114.0° |
| C23 | C24 | C25 | 116.5° | 120.0° |
| C23 | C24 | N28 | 122.7° | 120.0° |
| C24 | C25 | O30 | 122.5° | 119.9° |
| C25 | C24 | N28 | 119.4° | 120.1° |
| C25 | O30 | H8 | 109.5° | 114.0° |
| C24 | N28 | C1 | 123.2° | 120.0° |
| C24 | N28 | H7 | 118.4° | 120.1° |
| N28 | C1 | O20 | 131.2° | 120.0° |
| N28 | C1 | C2 | 111.1° | 120.0° |
| C1 | N28 | H7 | 118.4° | 120.0° |
| C10 | C11 | C12 | 98.6° | 100.0° |
| C11 | C10 | O16 | 109.4° | 99.7° |
| C11 | C10 | C9 | 108.9° | 112.2° |
| C11 | C10 | H5 | 109.2° | 112.9° |
| C10 | C11 | H36 | 112.1° | 114.1° |
| C10 | C11 | H37 | 112.1° | 110.5° |
| C11 | C12 | C15 | 101.8° | 102.6° |
| C11 | C12 | C13 | 100.7° | 102.6° |
| C11 | C12 | H33 | 115.3° | 115.1° |
| C12 | C11 | H36 | 112.1° | 112.0° |
| C12 | C11 | H37 | 112.1° | 110.2° |
| C10 | O16 | C15 | 93.4° | 104.7° |
| O16 | C10 | C9 | 109.2° | 106.0° |
| O16 | C10 | H5 | 110.8° | 111.4° |
| O16 | C15 | C17 | 112.9° | 113.3° |
| O16 | C15 | C12 | 114.3° | 105.9° |
| O16 | C15 | C14 | 100.3° | 105.0° |
| C17 | C15 | C12 | 110.7° | 113.2° |
| C17 | C15 | C14 | 110.2° | 113.5° |
| C15 | C17 | H30 | 109.5° | 109.5° |
| C15 | C17 | H31 | 109.5° | 109.5° |
| C15 | C17 | H32 | 109.5° | 109.4° |
| C10 | C9 | C4 | 118.3° | 115.7° |
| C10 | C9 | C8 | 105.1° | 112.1° |
| C9 | C10 | H5 | 109.3° | 113.7° |
| C10 | C9 | H6 | 105.7° | 103.6° |
| O20 | C1 | C2 | 117.7° | 120.0° |
| C1 | C2 | C3 | 107.5° | 109.4° |
| C1 | C2 | H1 | 110.0° | 109.5° |
| C1 | C2 | H2 | 110.0° | 109.5° |
| C15 | C12 | C13 | 108.9° | 105.1° |
| C12 | C15 | C14 | 107.9° | 105.1° |
| C15 | C12 | H33 | 113.7° | 114.9° |
| C12 | C13 | C8 | 97.1° | 101.0° |
| C13 | C12 | H33 | 114.9° | 115.0° |
| C12 | C13 | H34 | 112.5° | 110.7° |
| C12 | C13 | H35 | 112.5° | 111.6° |
| C15 | C14 | C8 | 98.7° | 99.4° |
| C15 | C14 | H28 | 112.1° | 111.7° |
| C15 | C14 | H29 | 112.1° | 111.4° |
| C2 | C3 | C4 | 115.4° | 109.4° |
| C3 | C2 | H1 | 110.0° | 109.5° |
| C3 | C2 | H2 | 110.0° | 109.4° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C2 | C3 | H4 | 108.0° | 109.5° |
| C3 | C4 | C9 | 105.8° | 109.2° |
| C3 | C4 | C18 | 109.6° | 108.1° |
| C3 | C4 | C5 | 117.6° | 107.2° |
| C4 | C3 | H3 | 108.0° | 109.4° |
| C4 | C3 | H4 | 108.0° | 109.5° |
| C13 | C8 | C9 | 114.4° | 111.9° |
| C13 | C8 | C14 | 105.7° | 100.5° |
| C13 | C8 | C7 | 119.7° | 112.2° |
| C8 | C13 | H34 | 112.5° | 110.9° |
| C8 | C13 | H35 | 112.5° | 112.5° |
| C4 | C9 | C8 | 115.1° | 115.8° |
| C9 | C4 | C18 | 120.3° | 113.2° |
| C9 | C4 | C5 | 101.8° | 110.4° |
| C4 | C9 | H6 | 105.7° | 104.1° |
| C9 | C8 | C14 | 99.3° | 105.9° |
| C9 | C8 | C7 | 105.4° | 113.4° |
| C8 | C9 | H6 | 105.9° | 103.7° |
| C14 | C8 | C7 | 110.5° | 112.0° |
| C8 | C14 | H28 | 112.1° | 110.8° |
| C8 | C14 | H29 | 112.1° | 111.7° |
| C18 | C4 | C5 | 102.2° | 108.5° |
| C4 | C18 | H13 | 109.5° | 109.5° |
| C4 | C18 | H14 | 109.5° | 109.5° |
| C4 | C18 | H15 | 109.5° | 109.5° |
| C4 | C5 | O19 | 118.4° | 119.9° |
| C4 | C5 | C6 | 117.7° | 119.7° |
| C8 | C7 | C6 | 122.4° | 120.7° |
| C8 | C7 | C42 | 126.3° | 125.7° |
| O19 | C5 | C6 | 120.8° | 120.4° |
| C5 | C6 | C7 | 120.7° | 123.3° |
| C5 | C6 | S40 | 128.5° | 125.5° |
| C6 | C7 | C42 | 111.0° | 113.6° |
| C7 | C6 | S40 | 107.4° | 111.2° |
| C7 | C42 | C43 | 133.4° | 127.1° |
| C7 | C42 | C41 | 112.0° | 113.6° |
| C6 | S40 | C41 | 99.0° | 91.7° |
| C50 | C47 | C48 | 105.0° | 109.5° |
| C50 | C47 | C44 | 120.7° | 109.5° |
| C50 | C47 | C49 | 103.6° | 109.5° |
| C47 | C50 | H18 | 109.5° | 109.5° |
| C47 | C50 | H19 | 109.5° | 109.5° |
| C47 | C50 | H20 | 109.5° | 109.5° |
| C43 | C42 | C41 | 114.6° | 119.2° |
| C42 | C43 | C44 | 123.9° | 117.5° |
| C42 | C43 | H27 | 118.0° | 121.9° |
| C42 | C41 | S40 | 110.3° | 109.7° |
| C42 | C41 | C46 | 123.9° | 122.0° |
| C43 | C44 | C47 | 118.5° | 118.6° |
| C43 | C44 | C45 | 119.0° | 122.6° |
| C44 | C43 | H27 | 118.1° | 120.6° |
| C48 | C47 | C44 | 100.9° | 109.5° |
| C48 | C47 | C49 | 116.7° | 109.4° |
| C47 | C48 | H24 | 109.5° | 109.5° |
| C47 | C48 | H25 | 109.4° | 109.5° |
| C47 | C48 | H26 | 109.5° | 109.5° |
| C44 | C47 | C49 | 110.5° | 109.5° |
| C47 | C44 | C45 | 121.7° | 118.8° |
| C47 | C49 | H21 | 109.5° | 109.5° |
| C47 | C49 | H22 | 109.5° | 109.5° |
| C47 | C49 | H23 | 109.5° | 109.4° |
| C44 | C45 | C46 | 121.7° | 121.5° |
| C44 | C45 | H17 | 119.2° | 119.2° |
| S40 | C41 | C46 | 125.7° | 128.3° |
| C41 | C46 | C45 | 116.8° | 117.0° |
| C41 | C46 | H16 | 121.6° | 121.5° |
| C45 | C46 | H16 | 121.6° | 121.6° |
| C46 | C45 | H17 | 119.1° | 119.3° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H18 | C50 | H19 | 109.5° | 109.5° |
| H18 | C50 | H20 | 109.5° | 109.4° |
| H19 | C50 | H20 | 109.4° | 109.5° |
| H21 | C49 | H22 | 109.5° | 109.5° |
| H21 | C49 | H23 | 109.4° | 109.4° |
| H22 | C49 | H23 | 109.5° | 109.5° |
| H24 | C48 | H25 | 109.5° | 109.5° |
| H24 | C48 | H26 | 109.5° | 109.4° |
| H25 | C48 | H26 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 111.4° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H30 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H34 | C13 | H35 | 109.5° | 109.9° |
| H36 | C11 | H37 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C21 | O33 | C22 | 173.0° | 180.0° |
| O32 | C21 | C22 | C27 | 3.2° | 180.0° |
| O32 | C21 | C22 | C23 | 170.4° | 0.3° |
| O32 | C21 | O33 | H12 | 0.0° | 0.0° |
| O33 | C21 | C22 | C27 | 169.9° | 0.0° |
| O33 | C21 | C22 | C23 | 2.8° | 179.7° |
| C21 | C22 | C27 | C23 | 168.5° | 179.7° |
| C21 | C22 | C27 | C26 | 173.9° | 179.9° |
| C21 | C22 | C23 | O31 | 13.0° | 0.0° |
| C21 | C22 | C23 | C24 | 176.3° | 179.7° |
| C21 | C22 | C27 | H10 | 6.2° | 0.3° |
| C22 | C21 | O33 | H12 | 173.0° | 180.0° |
| C22 | C27 | C26 | H10 | 180.0° | 179.6° |
| C22 | C27 | C26 | C25 | 2.9° | 0.1° |
| C27 | C22 | C23 | O31 | 179.7° | 179.7° |
| C27 | C22 | C23 | C24 | 9.1° | 0.6° |
| C22 | C27 | C26 | H9 | 177.1° | 180.0° |
| C26 | C27 | C22 | C23 | 5.3° | 0.4° |
| C27 | C26 | C25 | H9 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 7.5° | 0.0° |
| C27 | C26 | C25 | O30 | 171.6° | 180.0° |
| C22 | C23 | O31 | C24 | 171.3° | 179.7° |
| C22 | C23 | C24 | C25 | 4.5° | 0.6° |
| C22 | C23 | C24 | N28 | 161.6° | 179.7° |
| C23 | C22 | C27 | H10 | 174.7° | 180.0° |
| C22 | C23 | O31 | H11 | 123.7° | 89.7° |
| C26 | C25 | C24 | C23 | 3.5° | 0.3° |
| C26 | C25 | C24 | O30 | 179.1° | 180.0° |
| C26 | C25 | C24 | N28 | 170.1° | 180.0° |
| C26 | C25 | O30 | H8 | 180.0° | 90.1° |
| C25 | C26 | C27 | H10 | 177.0° | 179.7° |
| O31 | C23 | C24 | C25 | 175.3° | 179.7° |
| O31 | C23 | C24 | N28 | 9.2° | 0.0° |
| C23 | C24 | C25 | N28 | 166.6° | 179.7° |
| C23 | C24 | C25 | O30 | 175.6° | 179.7° |
| C23 | C24 | N28 | C1 | 45.6° | 144.6° |
| C23 | C24 | N28 | H7 | 134.3° | 35.4° |
| C24 | C23 | O31 | H11 | 47.6° | 90.0° |
| C25 | C24 | N28 | C1 | 120.1° | 35.7° |
| C25 | C24 | N28 | H7 | 59.9° | 144.3° |
| C24 | C25 | O30 | H8 | 1.0° | 89.9° |
| C24 | C25 | C26 | H9 | 172.5° | 180.0° |
| O30 | C25 | C24 | N28 | 9.0° | 0.0° |
| O30 | C25 | C26 | H9 | 8.4° | 0.0° |
| C24 | N28 | C1 | H7 | 180.0° | 180.0° |
| C24 | N28 | C1 | O20 | 7.4° | 3.3° |
| C24 | N28 | C1 | C2 | 175.0° | 176.6° |
| N28 | C1 | O20 | C2 | 177.5° | 179.9° |
| N28 | C1 | C2 | C3 | 100.8° | 180.0° |
| N28 | C1 | C2 | H1 | 18.9° | 60.0° |
| N28 | C1 | C2 | H2 | 139.5° | 60.1° |
| C10 | C11 | C12 | H36 | 118.2° | 121.2° |
| C10 | C11 | C12 | H37 | 118.2° | 116.3° |
| C11 | C10 | O16 | C9 | 119.1° | 116.5° |
| C11 | C10 | O16 | H5 | 120.5° | 119.4° |
| C11 | C10 | O16 | C15 | 45.9° | 50.4° |
| C11 | C10 | C9 | H5 | 119.2° | 129.6° |
| C10 | C11 | C12 | C15 | 23.1° | 29.7° |
| C10 | C11 | C12 | C13 | 89.0° | 79.2° |
| C11 | C10 | C9 | C4 | 77.3° | 86.5° |
| C11 | C10 | C9 | C8 | 52.8° | 49.2° |
| C11 | C10 | C9 | H6 | 164.6° | 160.3° |
| C10 | C11 | C12 | H33 | 146.6° | 155.2° |
| C10 | C11 | H36 | H37 | 125.1° | 124.6° |
| C12 | C11 | C10 | O16 | 47.1° | 48.7° |
| C11 | C12 | C15 | O16 | 3.2° | 0.7° |
| C11 | C12 | C15 | C17 | 132.0° | 124.1° |
| C12 | C11 | C10 | C9 | 72.1° | 63.1° |
| C11 | C12 | C15 | C13 | 105.8° | 107.0° |
| C11 | C12 | C15 | H33 | 124.7° | 125.6° |
| C11 | C12 | C13 | H33 | 124.6° | 125.7° |
| C11 | C12 | C15 | C14 | 107.4° | 111.5° |
| C11 | C12 | C13 | C8 | 81.8° | 79.5° |
| C12 | C11 | C10 | H5 | 168.6° | 166.9° |
| C11 | C12 | C13 | H34 | 36.1° | 163.0° |
| C11 | C12 | C13 | H35 | 160.3° | 40.2° |
| C12 | C11 | H36 | H37 | 125.1° | 122.7° |
| C10 | O16 | C15 | C17 | 157.3° | 155.8° |
| O16 | C10 | C9 | H5 | 121.4° | 122.7° |
| C10 | O16 | C15 | C12 | 29.6° | 31.1° |
| C10 | O16 | C15 | C14 | 85.5° | 79.8° |
| O16 | C10 | C9 | C4 | 163.3° | 165.7° |
| O16 | C10 | C9 | C8 | 66.6° | 58.6° |
| O16 | C10 | C9 | H6 | 45.2° | 52.5° |
| O16 | C10 | C11 | H36 | 165.3° | 168.4° |
| O16 | C10 | C11 | H37 | 71.0° | 67.4° |
| O16 | C15 | C17 | C12 | 129.5° | 120.6° |
| O16 | C15 | C17 | C14 | 111.2° | 119.7° |
| C15 | O16 | C10 | C9 | 73.2° | 66.2° |
| O16 | C15 | C12 | C14 | 110.6° | 110.9° |
| O16 | C15 | C12 | C13 | 109.0° | 106.4° |
| O16 | C15 | C14 | C8 | 91.4° | 77.2° |
| C15 | O16 | C10 | H5 | 166.4° | 169.7° |
| O16 | C15 | C14 | H28 | 150.3° | 39.8° |
| O16 | C15 | C14 | H29 | 26.8° | 165.0° |
| O16 | C15 | C17 | H30 | 180.0° | 178.6° |
| O16 | C15 | C17 | H31 | 60.0° | 61.4° |
| O16 | C15 | C17 | H32 | 60.0° | 58.6° |
| O16 | C15 | C12 | H33 | 121.5° | 126.2° |
| C17 | C15 | C12 | C14 | 120.7° | 124.4° |
| C17 | C15 | C12 | C13 | 122.2° | 128.9° |
| C17 | C15 | C14 | C8 | 149.4° | 158.5° |
| C17 | C15 | C14 | H28 | 31.2° | 84.5° |
| C17 | C15 | C14 | H29 | 92.4° | 40.7° |
| C15 | C17 | H30 | H31 | 120.0° | 120.0° |
| C15 | C17 | H30 | H32 | 120.0° | 120.0° |
| C15 | C17 | H31 | H32 | 120.0° | 120.0° |
| C17 | C15 | C12 | H33 | 7.3° | 1.5° |
| C10 | C9 | C4 | C3 | 40.6° | 61.1° |
| C10 | C9 | C8 | C13 | 50.8° | 48.6° |
| C10 | C9 | C4 | C8 | 125.4° | 134.1° |
| C10 | C9 | C4 | H6 | 118.1° | 112.9° |
| C10 | C9 | C8 | H6 | 111.7° | 111.0° |
| C10 | C9 | C8 | C14 | 61.3° | 60.0° |
| C10 | C9 | C4 | C18 | 84.0° | 59.3° |
| C10 | C9 | C4 | C5 | 164.1° | 178.8° |
| C10 | C9 | C8 | C7 | 175.7° | 176.8° |
| C9 | C10 | C11 | H36 | 46.1° | 56.6° |
| C9 | C10 | C11 | H37 | 169.7° | 179.2° |
| O20 | C1 | C2 | C3 | 81.2° | 0.1° |
| O20 | C1 | C2 | H1 | 159.1° | 119.9° |
| O20 | C1 | C2 | H2 | 38.5° | 120.0° |
| O20 | C1 | N28 | H7 | 172.7° | 176.7° |
| C1 | C2 | C3 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | H2 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 170.5° | 174.5° |
| C1 | C2 | H1 | H2 | 120.9° | 120.1° |
| C1 | C2 | C3 | H3 | 49.7° | 54.6° |
| C1 | C2 | C3 | H4 | 68.6° | 65.4° |
| C2 | C1 | N28 | H7 | 5.0° | 3.4° |
| C15 | C12 | C13 | H33 | 128.8° | 127.3° |
| C15 | C12 | C13 | C8 | 24.7° | 27.5° |
| C12 | C15 | C14 | C8 | 28.4° | 34.3° |
| C12 | C15 | C14 | H28 | 89.8° | 151.2° |
| C12 | C15 | C14 | H29 | 146.6° | 83.5° |
| C12 | C15 | C17 | H30 | 50.4° | 60.8° |
| C12 | C15 | C17 | H31 | 69.5° | 59.3° |
| C12 | C15 | C17 | H32 | 170.5° | 179.2° |
| C15 | C12 | C13 | H34 | 142.6° | 90.0° |
| C15 | C12 | C13 | H35 | 93.2° | 147.2° |
| C15 | C12 | C11 | H36 | 141.2° | 150.9° |
| C15 | C12 | C11 | H37 | 95.1° | 86.6° |
| C13 | C12 | C15 | C14 | 1.6° | 4.5° |
| C12 | C13 | C8 | H34 | 117.9° | 117.3° |
| C12 | C13 | C8 | H35 | 117.9° | 119.2° |
| C12 | C13 | C8 | C9 | 64.3° | 62.5° |
| C12 | C13 | C8 | C14 | 44.0° | 49.5° |
| C12 | C13 | C8 | C7 | 169.3° | 168.7° |
| C12 | C13 | H34 | H35 | 125.8° | 123.8° |
| C13 | C12 | C11 | H36 | 29.1° | 41.9° |
| C13 | C12 | C11 | H37 | 152.7° | 164.4° |
| C15 | C14 | C8 | C13 | 45.4° | 52.0° |
| C15 | C14 | C8 | C9 | 73.4° | 64.6° |
| C15 | C14 | C8 | H28 | 118.3° | 117.7° |
| C15 | C14 | C8 | H29 | 118.2° | 117.6° |
| C15 | C14 | C8 | C7 | 176.2° | 171.3° |
| C15 | C14 | H28 | H29 | 125.0° | 125.3° |
| C14 | C15 | C17 | H30 | 68.8° | 58.9° |
| C14 | C15 | C17 | H31 | 171.2° | 179.0° |
| C14 | C15 | C17 | H32 | 51.2° | 61.1° |
| C14 | C15 | C12 | H33 | 127.9° | 122.9° |
| C2 | C3 | C4 | H3 | 120.9° | 119.9° |
| C2 | C3 | C4 | H4 | 120.9° | 120.1° |
| C2 | C3 | C4 | C9 | 73.9° | 62.2° |
| C2 | C3 | C4 | C18 | 155.0° | 174.3° |
| C2 | C3 | C4 | C5 | 38.9° | 57.5° |
| C3 | C2 | H1 | H2 | 120.9° | 120.0° |
| C2 | C3 | H3 | H4 | 117.3° | 120.1° |
| C3 | C4 | C9 | C18 | 124.6° | 120.4° |
| C3 | C4 | C9 | C5 | 123.5° | 117.6° |
| C3 | C4 | C9 | C8 | 166.0° | 164.8° |
| C3 | C4 | C18 | C5 | 125.5° | 115.9° |
| C3 | C4 | C5 | O19 | 43.7° | 33.4° |
| C3 | C4 | C5 | C6 | 156.0° | 147.0° |
| C4 | C3 | C2 | H1 | 69.8° | 54.5° |
| C4 | C3 | C2 | H2 | 50.8° | 65.5° |
| C4 | C3 | H3 | H4 | 117.3° | 120.0° |
| C3 | C4 | C9 | H6 | 77.5° | 51.8° |
| C3 | C4 | C18 | H13 | 180.0° | 60.0° |
| C3 | C4 | C18 | H14 | 60.0° | 180.0° |
| C3 | C4 | C18 | H15 | 60.0° | 60.0° |
| C13 | C8 | C9 | C4 | 81.1° | 87.0° |
| C13 | C8 | C9 | C14 | 112.1° | 108.6° |
| C13 | C8 | C9 | C7 | 133.5° | 128.2° |
| C13 | C8 | C14 | C7 | 130.8° | 119.3° |
| C13 | C8 | C7 | C6 | 125.2° | 113.9° |
| C13 | C8 | C7 | C42 | 61.0° | 67.9° |
| C13 | C8 | C9 | H6 | 162.5° | 159.6° |
| C13 | C8 | C14 | H28 | 72.9° | 169.6° |
| C13 | C8 | C14 | H29 | 163.6° | 65.6° |
| C8 | C13 | C12 | H33 | 153.6° | 154.8° |
| C8 | C13 | H34 | H35 | 125.8° | 125.0° |
| C4 | C9 | C8 | H6 | 116.4° | 113.3° |
| C4 | C9 | C8 | C14 | 166.8° | 164.4° |
| C9 | C4 | C18 | C5 | 111.7° | 123.0° |
| C4 | C9 | C8 | C7 | 52.4° | 41.1° |
| C9 | C4 | C5 | O19 | 158.7° | 152.3° |
| C9 | C4 | C5 | C6 | 41.0° | 28.1° |
| C9 | C4 | C3 | H3 | 165.2° | 177.9° |
| C9 | C4 | C3 | H4 | 47.0° | 57.9° |
| C4 | C9 | C10 | H5 | 41.9° | 43.1° |
| C9 | C4 | C18 | H13 | 57.2° | 61.1° |
| C9 | C4 | C18 | H14 | 177.2° | 58.9° |
| C9 | C4 | C18 | H15 | 62.8° | 178.9° |
| C9 | C8 | C14 | C7 | 110.4° | 124.1° |
| C8 | C9 | C4 | C18 | 41.4° | 74.7° |
| C8 | C9 | C4 | C5 | 70.5° | 47.2° |
| C9 | C8 | C7 | C6 | 5.3° | 14.1° |
| C9 | C8 | C7 | C42 | 168.4° | 164.1° |
| C8 | C9 | C10 | H5 | 172.0° | 178.8° |
| C9 | C8 | C14 | H28 | 168.4° | 53.0° |
| C9 | C8 | C14 | H29 | 44.8° | 177.8° |
| C9 | C8 | C13 | H34 | 53.7° | 179.9° |
| C9 | C8 | C13 | H35 | 177.8° | 56.6° |
| C14 | C8 | C7 | C6 | 111.7° | 133.9° |
| C14 | C8 | C7 | C42 | 62.0° | 44.3° |
| C14 | C8 | C9 | H6 | 50.4° | 51.1° |
| C8 | C14 | H28 | H29 | 125.0° | 124.9° |
| C14 | C8 | C13 | H34 | 161.9° | 67.8° |
| C14 | C8 | C13 | H35 | 74.0° | 168.7° |
| C18 | C4 | C5 | O19 | 76.3° | 83.1° |
| C18 | C4 | C5 | C6 | 84.0° | 96.5° |
| C18 | C4 | C3 | H3 | 34.1° | 54.3° |
| C18 | C4 | C3 | H4 | 84.1° | 65.6° |
| C18 | C4 | C9 | H6 | 157.9° | 172.2° |
| C4 | C18 | H13 | H14 | 120.0° | 120.0° |
| C4 | C18 | H13 | H15 | 120.0° | 120.0° |
| C4 | C18 | H14 | H15 | 120.0° | 120.0° |
| C4 | C5 | O19 | C6 | 159.7° | 179.6° |
| C4 | C5 | C6 | C7 | 1.2° | 2.6° |
| C4 | C5 | C6 | S40 | 155.3° | 176.4° |
| C5 | C4 | C3 | H3 | 81.9° | 62.5° |
| C5 | C4 | C3 | H4 | 159.8° | 177.6° |
| C5 | C4 | C9 | H6 | 46.0° | 65.9° |
| C5 | C4 | C18 | H13 | 54.5° | 176.0° |
| C5 | C4 | C18 | H14 | 65.5° | 64.1° |
| C5 | C4 | C18 | H15 | 174.5° | 55.9° |
| C8 | C7 | C6 | C5 | 20.0° | 5.0° |
| C8 | C7 | C6 | C42 | 174.6° | 178.4° |
| C8 | C7 | C6 | S40 | 179.0° | 175.8° |
| C8 | C7 | C42 | C43 | 2.2° | 6.3° |
| C8 | C7 | C42 | C41 | 178.8° | 174.5° |
| C7 | C8 | C9 | H6 | 64.0° | 72.2° |
| C7 | C8 | C14 | H28 | 58.0° | 71.0° |
| C7 | C8 | C14 | H29 | 65.6° | 53.7° |
| C7 | C8 | C13 | H34 | 72.8° | 51.4° |
| C7 | C8 | C13 | H35 | 51.4° | 72.2° |
| O19 | C5 | C6 | C7 | 161.1° | 177.8° |
| O19 | C5 | C6 | S40 | 4.5° | 3.2° |
| C5 | C6 | C7 | S40 | 161.0° | 179.1° |
| C5 | C6 | C7 | C42 | 165.4° | 176.5° |
| C5 | C6 | S40 | C41 | 161.9° | 178.5° |
| C6 | C7 | C42 | C43 | 176.6° | 175.4° |
| C6 | C7 | C42 | C41 | 4.5° | 3.9° |
| C7 | C6 | S40 | C41 | 2.9° | 0.6° |
| C42 | C7 | C6 | S40 | 4.4° | 2.6° |
| C7 | C42 | C43 | C41 | 178.9° | 179.2° |
| C7 | C42 | C43 | C44 | 178.2° | 175.7° |
| C7 | C42 | C41 | S40 | 2.3° | 3.3° |
| C7 | C42 | C41 | C46 | 178.5° | 176.7° |
| C7 | C42 | C43 | H27 | 1.8° | 4.4° |
| C6 | S40 | C41 | C42 | 0.3° | 1.5° |
| C6 | S40 | C41 | C46 | 175.8° | 178.5° |
| C50 | C47 | C44 | C43 | 34.7° | 59.7° |
| C50 | C47 | C48 | C44 | 126.2° | 120.0° |
| C50 | C47 | C48 | C49 | 114.1° | 120.0° |
| C50 | C47 | C44 | C49 | 120.9° | 120.1° |
| C50 | C47 | C44 | C45 | 155.6° | 120.0° |
| C47 | C50 | H18 | H19 | 120.0° | 120.0° |
| C47 | C50 | H18 | H20 | 120.0° | 120.0° |
| C47 | C50 | H19 | H20 | 120.0° | 120.0° |
| C50 | C47 | C49 | H21 | 180.0° | 180.0° |
| C50 | C47 | C49 | H22 | 60.0° | 59.9° |
| C50 | C47 | C49 | H23 | 60.0° | 60.0° |
| C50 | C47 | C48 | H24 | 180.0° | 60.0° |
| C50 | C47 | C48 | H25 | 60.0° | 60.0° |
| C50 | C47 | C48 | H26 | 60.0° | 180.0° |
| C42 | C43 | C44 | H27 | 180.0° | 179.9° |
| C42 | C43 | C44 | C47 | 173.4° | 176.6° |
| C42 | C43 | C44 | C45 | 3.4° | 3.1° |
| C43 | C42 | C41 | S40 | 178.6° | 176.1° |
| C43 | C42 | C41 | C46 | 2.4° | 4.0° |
| C41 | C42 | C43 | C44 | 0.7° | 5.1° |
| C42 | C41 | S40 | C46 | 176.1° | 180.0° |
| C42 | C41 | C46 | C45 | 2.5° | 0.5° |
| C42 | C41 | C46 | H16 | 177.5° | 179.7° |
| C41 | C42 | C43 | H27 | 179.3° | 174.8° |
| C43 | C44 | C47 | C48 | 80.2° | 60.3° |
| C43 | C44 | C47 | C45 | 169.7° | 179.7° |
| C43 | C44 | C47 | C49 | 155.6° | 179.8° |
| C43 | C44 | C45 | C46 | 3.3° | 0.3° |
| C43 | C44 | C45 | H17 | 176.7° | 179.6° |
| C48 | C47 | C44 | C49 | 124.1° | 119.9° |
| C48 | C47 | C44 | C45 | 89.4° | 120.0° |
| C48 | C47 | C50 | H18 | 180.0° | 180.0° |
| C48 | C47 | C50 | H19 | 60.0° | 60.0° |
| C48 | C47 | C50 | H20 | 60.0° | 60.0° |
| C48 | C47 | C49 | H21 | 65.2° | 60.0° |
| C48 | C47 | C49 | H22 | 174.8° | 60.1° |
| C48 | C47 | C49 | H23 | 54.8° | 180.0° |
| C47 | C48 | H24 | H25 | 120.0° | 120.0° |
| C47 | C48 | H24 | H26 | 120.0° | 120.0° |
| C47 | C48 | H25 | H26 | 120.0° | 120.0° |
| C47 | C44 | C45 | C46 | 172.9° | 180.0° |
| C47 | C44 | C45 | H17 | 7.1° | 0.7° |
| C44 | C47 | C50 | H18 | 67.2° | 60.0° |
| C44 | C47 | C50 | H19 | 52.8° | 180.0° |
| C44 | C47 | C50 | H20 | 172.8° | 60.0° |
| C44 | C47 | C49 | H21 | 49.3° | 59.9° |
| C44 | C47 | C49 | H22 | 70.7° | 180.0° |
| C44 | C47 | C49 | H23 | 169.3° | 60.0° |
| C44 | C47 | C48 | H24 | 53.8° | 60.0° |
| C44 | C47 | C48 | H25 | 173.8° | 180.0° |
| C44 | C47 | C48 | H26 | 66.2° | 60.0° |
| C47 | C44 | C43 | H27 | 6.6° | 3.5° |
| C49 | C47 | C44 | C45 | 34.7° | 0.1° |
| C49 | C47 | C50 | H18 | 57.0° | 60.1° |
| C49 | C47 | C50 | H19 | 177.1° | 60.0° |
| C49 | C47 | C50 | H20 | 63.0° | 180.0° |
| C47 | C49 | H21 | H22 | 120.0° | 120.1° |
| C47 | C49 | H21 | H23 | 120.0° | 120.0° |
| C47 | C49 | H22 | H23 | 120.0° | 119.9° |
| C49 | C47 | C48 | H24 | 65.9° | 180.0° |
| C49 | C47 | C48 | H25 | 54.1° | 60.0° |
| C49 | C47 | C48 | H26 | 174.0° | 60.0° |
| C44 | C45 | C46 | C41 | 0.4° | 1.6° |
| C44 | C45 | C46 | H17 | 180.0° | 179.3° |
| C44 | C45 | C46 | H16 | 179.6° | 178.2° |
| C45 | C44 | C43 | H27 | 176.6° | 176.8° |
| S40 | C41 | C46 | C45 | 178.1° | 179.5° |
| S40 | C41 | C46 | H16 | 1.9° | 0.3° |
| C41 | C46 | C45 | H16 | 180.0° | 179.8° |
| C41 | C46 | C45 | H17 | 179.6° | 179.1° |
| H1 | C2 | C3 | H3 | 169.4° | 65.5° |
| H1 | C2 | C3 | H4 | 51.1° | 174.5° |
| H2 | C2 | C3 | H3 | 70.0° | 174.6° |
| H2 | C2 | C3 | H4 | 171.7° | 54.5° |
| H5 | C10 | C9 | H6 | 76.2° | 70.1° |
| H5 | C10 | C11 | H36 | 73.2° | 73.4° |
| H5 | C10 | C11 | H37 | 50.4° | 50.8° |
| H9 | C26 | C27 | H10 | 2.9° | 0.3° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H16 | C46 | C45 | H17 | 0.4° | 1.1° |
| H18 | C50 | H19 | H20 | 120.0° | 120.0° |
| H21 | C49 | H22 | H23 | 120.0° | 120.0° |
| H24 | C48 | H25 | H26 | 120.0° | 120.0° |
| H30 | C17 | H31 | H32 | 120.0° | 120.0° |
| H33 | C12 | C13 | H34 | 88.5° | 37.3° |
| H33 | C12 | C13 | H35 | 35.7° | 85.4° |
| H33 | C12 | C11 | H36 | 95.2° | 83.7° |
| H33 | C12 | C11 | H37 | 28.4° | 38.8° |
