0I7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C6 | sing | 1.36Å | 1.40Å | |
| O9 | C7 | doub | 1.21Å | 1.19Å | |
| C6 | C1 | doub | 1.30Å | 1.53Å | |
| C6 | C5 | sing | 1.50Å | 1.53Å | |
| C21 | C16 | sing | 1.51Å | 1.53Å | |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.47Å | 1.53Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C16 | C8 | doub | 1.40Å | 1.53Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.57Å | Aromatic |
| N31 | N30 | doub | 1.29Å | 1.37Å | Aromatic |
| N31 | N27 | sing | 1.29Å | 1.37Å | Aromatic |
| O24 | C20 | doub | 1.22Å | 1.19Å | |
| C8 | C12 | sing | 1.40Å | 1.52Å | Aromatic |
| N30 | C29 | sing | 1.34Å | 1.32Å | Aromatic |
| C26 | N27 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| N27 | C28 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.52Å | 1.52Å | |
| C4 | O11 | doub | 1.21Å | 1.19Å | |
| C20 | C15 | sing | 1.47Å | 1.53Å | |
| C20 | N19 | sing | 1.35Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.41Å | 1.49Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.52Å | Aromatic |
| C29 | C28 | doub | 1.35Å | 1.40Å | Aromatic |
| C29 | C32 | sing | 1.51Å | 1.53Å | |
| C25 | N19 | sing | 1.47Å | 1.46Å | |
| N19 | C18 | sing | 1.34Å | 1.51Å | |
| C32 | O33 | sing | 1.43Å | 1.40Å | |
| C14 | C13 | sing | 1.39Å | 1.56Å | Aromatic |
| C14 | N17 | sing | 1.38Å | 1.47Å | |
| O33 | C34 | sing | 1.36Å | 1.39Å | |
| C18 | N17 | sing | 1.34Å | 1.49Å | |
| C18 | O23 | doub | 1.22Å | 1.19Å | |
| N17 | C22 | sing | 1.46Å | 1.45Å | |
| C35 | C34 | doub | 1.39Å | 1.52Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.52Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.53Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.53Å | Aromatic |
| C54 | C44 | sing | 1.51Å | 1.53Å | |
| C39 | C38 | doub | 1.38Å | 1.53Å | Aromatic |
| F53 | B51 | sing | 1.37Å | 1.67Å | |
| C45 | C44 | doub | 1.35Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.41Å | 1.35Å | Aromatic |
| C44 | N43 | sing | 1.36Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.53Å | Aromatic |
| C37 | C40 | sing | 1.51Å | 1.52Å | |
| C46 | C55 | sing | 1.51Å | 1.53Å | |
| C46 | C41 | doub | 1.35Å | 1.41Å | Aromatic |
| N43 | B51 | sing | 1.51Å | 1.48Å | |
| N43 | C41 | sing | 1.37Å | 1.35Å | Aromatic |
| B51 | F52 | sing | 1.37Å | 1.67Å | |
| B51 | N50 | sing | 1.51Å | 1.47Å | |
| C41 | C40 | sing | 1.51Å | 1.48Å | |
| C40 | C42 | sing | 1.51Å | 1.49Å | |
| N50 | C42 | sing | 1.37Å | 1.35Å | Aromatic |
| N50 | C49 | sing | 1.36Å | 1.39Å | Aromatic |
| C42 | C47 | doub | 1.35Å | 1.41Å | Aromatic |
| C56 | C49 | sing | 1.51Å | 1.53Å | |
| C49 | C48 | doub | 1.35Å | 1.38Å | Aromatic |
| C47 | C48 | sing | 1.41Å | 1.35Å | Aromatic |
| C47 | C57 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.08Å | 1.08Å | |
| C48 | H28 | sing | 1.08Å | 1.08Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.09Å | 1.10Å | |
| C55 | H33 | sing | 1.09Å | 1.10Å | |
| C55 | H34 | sing | 1.09Å | 1.10Å | |
| C56 | H35 | sing | 1.09Å | 1.10Å | |
| C56 | H36 | sing | 1.09Å | 1.10Å | |
| C56 | H37 | sing | 1.09Å | 1.10Å | |
| C57 | H38 | sing | 1.09Å | 1.10Å | |
| C57 | H39 | sing | 1.09Å | 1.10Å | |
| C57 | H40 | sing | 1.09Å | 1.10Å | |
| O10 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C6 | C1 | 119.3° | 117.9° |
| O10 | C6 | C5 | 119.1° | 118.0° |
| C6 | O10 | H41 | 109.5° | 114.0° |
| O9 | C7 | C5 | 118.8° | 120.0° |
| O9 | C7 | C8 | 118.1° | 120.0° |
| C1 | C6 | C5 | 120.2° | 124.1° |
| C6 | C1 | C2 | 115.1° | 125.7° |
| C6 | C1 | H11 | 122.5° | 117.2° |
| C6 | C5 | C7 | 117.0° | 109.5° |
| C6 | C5 | C4 | 117.9° | 108.9° |
| C6 | C5 | H16 | 95.2° | 109.7° |
| C21 | C16 | C8 | 117.7° | 120.4° |
| C21 | C16 | C15 | 122.6° | 120.4° |
| C16 | C21 | H2 | 109.5° | 109.5° |
| C16 | C21 | H3 | 109.5° | 109.5° |
| C16 | C21 | H4 | 109.5° | 109.5° |
| C5 | C7 | C8 | 123.1° | 120.0° |
| C7 | C5 | C4 | 122.6° | 109.6° |
| C7 | C5 | H16 | 95.3° | 109.6° |
| C7 | C8 | C16 | 121.0° | 120.0° |
| C7 | C8 | C12 | 117.8° | 120.0° |
| C1 | C2 | C3 | 113.5° | 110.8° |
| C2 | C1 | H11 | 122.5° | 117.1° |
| C1 | C2 | H12 | 108.4° | 109.2° |
| C1 | C2 | H13 | 108.5° | 109.3° |
| C5 | C4 | C3 | 117.3° | 116.8° |
| C5 | C4 | O11 | 122.0° | 121.6° |
| C4 | C5 | H16 | 95.3° | 109.6° |
| C8 | C16 | C15 | 119.7° | 119.2° |
| C16 | C8 | C12 | 121.2° | 120.0° |
| C16 | C15 | C20 | 123.0° | 121.7° |
| C16 | C15 | C14 | 118.6° | 120.1° |
| N30 | N31 | N27 | 108.3° | 110.2° |
| N31 | N30 | C29 | 108.2° | 108.9° |
| N31 | N27 | C26 | 125.5° | 125.9° |
| N31 | N27 | C28 | 107.6° | 108.2° |
| O24 | C20 | C15 | 122.4° | 120.9° |
| O24 | C20 | N19 | 117.4° | 120.9° |
| C8 | C12 | C13 | 119.1° | 120.6° |
| C8 | C12 | H17 | 120.5° | 119.7° |
| N30 | C29 | C28 | 107.7° | 106.5° |
| N30 | C29 | C32 | 124.5° | 126.7° |
| N27 | C26 | C25 | 111.2° | 109.4° |
| C26 | N27 | C28 | 126.9° | 125.9° |
| N27 | C26 | H8 | 109.0° | 109.5° |
| N27 | C26 | H9 | 109.0° | 109.4° |
| C26 | C25 | N19 | 110.9° | 109.4° |
| C25 | C26 | H8 | 109.1° | 109.5° |
| C25 | C26 | H9 | 109.0° | 109.5° |
| C26 | C25 | H18 | 109.1° | 109.5° |
| C26 | C25 | H19 | 109.1° | 109.5° |
| N27 | C28 | C29 | 108.3° | 106.2° |
| N27 | C28 | H10 | 125.9° | 126.9° |
| C3 | C4 | O11 | 120.7° | 121.6° |
| C4 | C3 | C2 | 110.9° | 107.8° |
| C4 | C3 | H14 | 109.1° | 109.8° |
| C4 | C3 | H15 | 109.1° | 109.9° |
| C15 | C20 | N19 | 120.2° | 118.2° |
| C20 | C15 | C14 | 118.4° | 118.2° |
| C20 | N19 | C25 | 120.2° | 119.4° |
| C20 | N19 | C18 | 120.0° | 121.2° |
| C3 | C2 | H12 | 108.5° | 109.2° |
| C3 | C2 | H13 | 108.5° | 109.2° |
| C2 | C3 | H14 | 109.1° | 109.8° |
| C2 | C3 | H15 | 109.1° | 109.8° |
| C15 | C14 | C13 | 121.7° | 119.9° |
| C15 | C14 | N17 | 121.3° | 118.7° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C12 | C13 | H1 | 120.2° | 119.9° |
| C13 | C12 | H17 | 120.5° | 119.7° |
| C28 | C29 | C32 | 127.8° | 126.8° |
| C29 | C28 | H10 | 125.8° | 126.9° |
| C29 | C32 | O33 | 114.0° | 109.5° |
| C29 | C32 | H20 | 108.4° | 109.5° |
| C29 | C32 | H21 | 108.3° | 109.5° |
| C25 | N19 | C18 | 119.8° | 119.4° |
| N19 | C25 | H18 | 109.1° | 109.5° |
| N19 | C25 | H19 | 109.1° | 109.5° |
| N19 | C18 | N17 | 119.9° | 122.9° |
| N19 | C18 | O23 | 120.6° | 118.6° |
| C32 | O33 | C34 | 111.6° | 117.0° |
| O33 | C32 | H20 | 108.3° | 109.4° |
| O33 | C32 | H21 | 108.3° | 109.4° |
| C13 | C14 | N17 | 117.0° | 121.4° |
| C14 | C13 | H1 | 120.2° | 120.0° |
| C14 | N17 | C18 | 120.1° | 120.7° |
| C14 | N17 | C22 | 119.5° | 119.7° |
| O33 | C34 | C35 | 119.2° | 120.1° |
| O33 | C34 | C39 | 119.6° | 120.1° |
| N17 | C18 | O23 | 119.5° | 118.5° |
| C18 | N17 | C22 | 120.4° | 119.6° |
| N17 | C22 | H5 | 109.5° | 109.5° |
| N17 | C22 | H6 | 109.5° | 109.5° |
| N17 | C22 | H7 | 109.4° | 109.4° |
| C34 | C35 | C36 | 118.4° | 119.9° |
| C35 | C34 | C39 | 121.2° | 119.9° |
| C34 | C35 | H22 | 120.8° | 120.0° |
| C35 | C36 | C37 | 120.7° | 120.1° |
| C36 | C35 | H22 | 120.8° | 120.1° |
| C35 | C36 | H23 | 119.6° | 119.9° |
| C34 | C39 | C38 | 120.4° | 120.0° |
| C34 | C39 | H25 | 119.8° | 120.0° |
| C36 | C37 | C38 | 121.1° | 120.1° |
| C36 | C37 | C40 | 115.1° | 120.0° |
| C37 | C36 | H23 | 119.7° | 120.0° |
| C54 | C44 | C45 | 125.4° | 125.9° |
| C54 | C44 | N43 | 126.3° | 125.9° |
| C44 | C54 | H29 | 109.5° | 109.5° |
| C44 | C54 | H30 | 109.5° | 109.4° |
| C44 | C54 | H31 | 109.4° | 109.5° |
| C39 | C38 | C37 | 118.1° | 120.0° |
| C39 | C38 | H24 | 121.0° | 120.0° |
| C38 | C39 | H25 | 119.8° | 120.0° |
| F53 | B51 | N43 | 109.3° | 109.8° |
| F53 | B51 | F52 | 107.8° | 109.7° |
| F53 | B51 | N50 | 108.5° | 109.6° |
| C44 | C45 | C46 | 108.2° | 107.5° |
| C45 | C44 | N43 | 108.2° | 108.2° |
| C44 | C45 | H27 | 125.9° | 126.2° |
| C45 | C46 | C55 | 124.3° | 126.3° |
| C45 | C46 | C41 | 107.7° | 107.4° |
| C46 | C45 | H27 | 125.9° | 126.3° |
| C44 | N43 | B51 | 132.1° | 126.4° |
| C44 | N43 | C41 | 107.8° | 108.7° |
| C38 | C37 | C40 | 123.5° | 119.9° |
| C37 | C38 | H24 | 120.9° | 120.0° |
| C37 | C40 | C41 | 97.5° | 109.6° |
| C37 | C40 | C42 | 120.9° | 109.6° |
| C37 | C40 | H26 | 106.1° | 109.6° |
| C55 | C46 | C41 | 128.1° | 126.3° |
| C46 | C55 | H32 | 109.5° | 109.4° |
| C46 | C55 | H33 | 109.4° | 109.5° |
| C46 | C55 | H34 | 109.5° | 109.5° |
| C46 | C41 | N43 | 108.0° | 108.3° |
| C46 | C41 | C40 | 132.0° | 126.6° |
| B51 | N43 | C41 | 120.0° | 124.9° |
| N43 | B51 | F52 | 105.5° | 109.6° |
| N43 | B51 | N50 | 119.0° | 108.5° |
| N43 | C41 | C40 | 119.7° | 125.1° |
| F52 | B51 | N50 | 106.2° | 109.7° |
| B51 | N50 | C42 | 120.1° | 124.9° |
| B51 | N50 | C49 | 131.4° | 126.4° |
| C41 | C40 | C42 | 118.2° | 108.6° |
| C41 | C40 | H26 | 106.5° | 109.7° |
| C40 | C42 | N50 | 119.4° | 125.2° |
| C40 | C42 | C47 | 133.2° | 126.6° |
| C42 | C40 | H26 | 106.4° | 109.7° |
| C42 | N50 | C49 | 108.4° | 108.7° |
| N50 | C42 | C47 | 107.4° | 108.2° |
| N50 | C49 | C56 | 126.4° | 125.9° |
| N50 | C49 | C48 | 107.8° | 108.2° |
| C42 | C47 | C48 | 108.1° | 107.5° |
| C42 | C47 | C57 | 126.6° | 126.3° |
| C56 | C49 | C48 | 125.8° | 125.9° |
| C49 | C56 | H35 | 109.5° | 109.5° |
| C49 | C56 | H36 | 109.4° | 109.5° |
| C49 | C56 | H37 | 109.5° | 109.5° |
| C49 | C48 | C47 | 108.2° | 107.4° |
| C49 | C48 | H28 | 125.9° | 126.3° |
| C48 | C47 | C57 | 125.3° | 126.3° |
| C47 | C48 | H28 | 125.9° | 126.3° |
| C47 | C57 | H38 | 109.5° | 109.5° |
| C47 | C57 | H39 | 109.4° | 109.5° |
| C47 | C57 | H40 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.4° |
| H2 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.2° |
| H14 | C3 | H15 | 109.4° | 109.8° |
| H18 | C25 | H19 | 109.4° | 109.5° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H29 | C54 | H30 | 109.5° | 109.5° |
| H29 | C54 | H31 | 109.5° | 109.5° |
| H30 | C54 | H31 | 109.5° | 109.4° |
| H32 | C55 | H33 | 109.5° | 109.5° |
| H32 | C55 | H34 | 109.5° | 109.5° |
| H33 | C55 | H34 | 109.5° | 109.5° |
| H35 | C56 | H36 | 109.5° | 109.5° |
| H35 | C56 | H37 | 109.4° | 109.5° |
| H36 | C56 | H37 | 109.5° | 109.5° |
| H38 | C57 | H39 | 109.5° | 109.4° |
| H38 | C57 | H40 | 109.4° | 109.4° |
| H39 | C57 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C6 | C1 | C5 | 166.0° | 179.5° |
| O10 | C6 | C5 | C7 | 15.5° | 70.7° |
| O10 | C6 | C1 | C2 | 162.3° | 179.0° |
| O10 | C6 | C5 | C4 | 178.0° | 169.5° |
| O10 | C6 | C1 | H11 | 17.7° | 1.3° |
| O10 | C6 | C5 | H16 | 83.1° | 49.6° |
| O9 | C7 | C5 | C6 | 13.8° | 89.4° |
| O9 | C7 | C5 | C8 | 178.7° | 180.0° |
| O9 | C7 | C5 | C4 | 175.4° | 30.0° |
| O9 | C7 | C8 | C16 | 99.4° | 5.9° |
| O9 | C7 | C8 | C12 | 79.8° | 174.1° |
| O9 | C7 | C5 | H16 | 84.8° | 150.3° |
| C1 | C6 | C5 | C7 | 150.5° | 109.8° |
| C6 | C1 | C2 | H11 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 12.0° | 10.0° |
| C6 | C1 | C2 | C3 | 39.5° | 19.5° |
| C6 | C1 | C2 | H12 | 160.1° | 100.8° |
| C6 | C1 | C2 | H13 | 81.1° | 139.8° |
| C1 | C6 | C5 | H16 | 110.8° | 129.9° |
| C1 | C6 | O10 | H41 | 157.4° | 0.1° |
| C6 | C5 | C7 | C4 | 161.7° | 119.4° |
| C6 | C5 | C7 | H16 | 98.6° | 120.3° |
| C6 | C5 | C7 | C8 | 165.0° | 90.6° |
| C5 | C6 | C1 | C2 | 3.7° | 0.5° |
| C6 | C5 | C4 | H16 | 98.8° | 120.0° |
| C6 | C5 | C4 | C3 | 8.5° | 40.9° |
| C6 | C5 | C4 | O11 | 171.4° | 139.1° |
| C5 | C6 | C1 | H11 | 176.3° | 179.2° |
| C5 | C6 | O10 | H41 | 8.7° | 179.5° |
| C21 | C16 | C8 | C7 | 0.7° | 0.0° |
| C21 | C16 | C8 | C15 | 179.9° | 179.8° |
| C21 | C16 | C8 | C12 | 179.8° | 180.0° |
| C21 | C16 | C15 | C20 | 0.1° | 0.1° |
| C21 | C16 | C15 | C14 | 179.9° | 180.0° |
| C16 | C21 | H2 | H3 | 120.0° | 120.0° |
| C16 | C21 | H2 | H4 | 120.0° | 120.0° |
| C16 | C21 | H3 | H4 | 120.0° | 120.1° |
| C7 | C5 | C4 | H16 | 99.7° | 120.3° |
| C5 | C7 | C8 | C16 | 81.9° | 174.1° |
| C5 | C7 | C8 | C12 | 98.9° | 5.9° |
| C7 | C5 | C4 | C3 | 170.0° | 78.8° |
| C7 | C5 | C4 | O11 | 9.9° | 101.2° |
| C8 | C7 | C5 | C4 | 3.3° | 150.0° |
| C7 | C8 | C16 | C12 | 179.2° | 180.0° |
| C7 | C8 | C16 | C15 | 179.2° | 179.7° |
| C7 | C8 | C12 | C13 | 179.1° | 180.0° |
| C8 | C7 | C5 | H16 | 96.4° | 29.7° |
| C7 | C8 | C12 | H17 | 0.8° | 0.0° |
| C1 | C2 | C3 | C4 | 59.3° | 45.3° |
| C1 | C2 | C3 | H12 | 120.6° | 120.3° |
| C1 | C2 | C3 | H13 | 120.6° | 120.4° |
| C1 | C2 | H12 | H13 | 118.2° | 119.4° |
| C1 | C2 | C3 | H14 | 179.5° | 164.9° |
| C1 | C2 | C3 | H15 | 60.9° | 74.3° |
| C5 | C4 | C3 | O11 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 43.2° | 60.1° |
| C5 | C4 | C3 | H14 | 163.4° | 179.7° |
| C5 | C4 | C3 | H15 | 77.1° | 59.5° |
| C8 | C16 | C15 | C20 | 180.0° | 179.7° |
| C8 | C16 | C15 | C14 | 0.0° | 0.2° |
| C16 | C8 | C12 | C13 | 0.0° | 0.0° |
| C8 | C16 | C21 | H2 | 90.1° | 83.2° |
| C8 | C16 | C21 | H3 | 149.9° | 156.8° |
| C8 | C16 | C21 | H4 | 29.9° | 36.8° |
| C16 | C8 | C12 | H17 | 180.0° | 180.0° |
| C16 | C15 | C20 | O24 | 0.0° | 0.1° |
| C15 | C16 | C8 | C12 | 0.1° | 0.3° |
| C16 | C15 | C20 | C14 | 180.0° | 180.0° |
| C16 | C15 | C20 | N19 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | N17 | 179.9° | 180.0° |
| C15 | C16 | C21 | H2 | 90.0° | 96.6° |
| C15 | C16 | C21 | H3 | 30.0° | 23.4° |
| C15 | C16 | C21 | H4 | 149.9° | 143.4° |
| N30 | N31 | N27 | C26 | 179.9° | 179.8° |
| N30 | N31 | N27 | C28 | 0.2° | 0.1° |
| N31 | N30 | C29 | C28 | 0.2° | 0.1° |
| N31 | N30 | C29 | C32 | 179.8° | 179.8° |
| N27 | N31 | N30 | C29 | 0.3° | 0.0° |
| N31 | N27 | C26 | C28 | 179.7° | 179.9° |
| N31 | N27 | C26 | C25 | 95.8° | 55.1° |
| N31 | N27 | C28 | C29 | 0.1° | 0.2° |
| N31 | N27 | C26 | H8 | 143.9° | 175.0° |
| N31 | N27 | C26 | H9 | 24.5° | 64.9° |
| N31 | N27 | C28 | H10 | 180.0° | 180.0° |
| O24 | C20 | C15 | N19 | 180.0° | 179.9° |
| O24 | C20 | C15 | C14 | 180.0° | 180.0° |
| O24 | C20 | N19 | C25 | 0.0° | 0.0° |
| O24 | C20 | N19 | C18 | 180.0° | 180.0° |
| C8 | C12 | C13 | H17 | 180.0° | 179.9° |
| C8 | C12 | C13 | C14 | 0.2° | 0.2° |
| C8 | C12 | C13 | H1 | 179.8° | 180.0° |
| N30 | C29 | C28 | N27 | 0.1° | 0.2° |
| N30 | C29 | C28 | C32 | 179.6° | 179.9° |
| N30 | C29 | C32 | O33 | 147.8° | 179.9° |
| N30 | C29 | C28 | H10 | 179.9° | 180.0° |
| N30 | C29 | C32 | H20 | 91.5° | 60.0° |
| N30 | C29 | C32 | H21 | 27.2° | 60.1° |
| N27 | C26 | C25 | H8 | 120.2° | 120.0° |
| N27 | C26 | C25 | H9 | 120.2° | 120.0° |
| C26 | N27 | C28 | C29 | 179.8° | 179.7° |
| N27 | C26 | C25 | N19 | 60.8° | NaN° |
| N27 | C26 | H8 | H9 | 119.2° | 120.0° |
| C26 | N27 | C28 | H10 | 0.3° | 0.1° |
| N27 | C26 | C25 | H18 | 59.4° | 60.0° |
| N27 | C26 | C25 | H19 | 179.0° | 60.0° |
| C25 | C26 | N27 | C28 | 84.5° | 125.0° |
| C26 | C25 | N19 | C20 | 80.7° | 90.0° |
| C26 | C25 | N19 | H18 | 120.2° | 120.0° |
| C26 | C25 | N19 | H19 | 120.2° | 120.0° |
| C26 | C25 | N19 | C18 | 99.4° | 90.0° |
| C25 | C26 | H8 | H9 | 119.2° | 120.1° |
| C26 | C25 | H18 | H19 | 119.4° | 120.0° |
| N27 | C28 | C29 | H10 | 180.0° | 179.8° |
| N27 | C28 | C29 | C32 | 179.7° | 179.8° |
| C28 | N27 | C26 | H8 | 35.7° | 5.0° |
| C28 | N27 | C26 | H9 | 155.2° | 115.0° |
| C4 | C3 | C2 | H14 | 120.2° | 119.6° |
| C4 | C3 | C2 | H15 | 120.2° | 119.6° |
| C4 | C3 | C2 | H12 | 179.9° | 75.0° |
| C4 | C3 | C2 | H13 | 61.3° | 165.7° |
| C4 | C3 | H14 | H15 | 119.4° | 120.9° |
| C3 | C4 | C5 | H16 | 90.3° | 160.9° |
| O11 | C4 | C3 | C2 | 136.7° | 119.9° |
| O11 | C4 | C3 | H14 | 16.5° | 0.3° |
| O11 | C4 | C3 | H15 | 103.1° | 120.5° |
| O11 | C4 | C5 | H16 | 89.8° | 19.1° |
| C15 | C20 | N19 | C25 | 180.0° | 180.0° |
| C15 | C20 | N19 | C18 | 0.1° | 0.0° |
| C20 | C15 | C14 | C13 | 179.9° | 179.9° |
| C20 | C15 | C14 | N17 | 0.1° | 0.0° |
| N19 | C20 | C15 | C14 | 0.0° | 0.0° |
| C20 | N19 | C25 | C18 | 179.9° | 180.0° |
| C20 | N19 | C18 | N17 | 0.0° | 0.0° |
| C20 | N19 | C18 | O23 | 179.9° | 179.9° |
| C20 | N19 | C25 | H18 | 159.1° | 30.0° |
| C20 | N19 | C25 | H19 | 39.5° | 150.0° |
| C3 | C2 | C1 | H11 | 140.5° | 160.3° |
| C3 | C2 | H12 | H13 | 118.2° | 119.3° |
| C2 | C3 | H14 | H15 | 119.3° | 120.8° |
| C15 | C14 | C13 | C12 | 0.3° | 0.2° |
| C15 | C14 | C13 | N17 | 179.9° | 180.0° |
| C15 | C14 | N17 | C18 | 0.2° | 0.0° |
| C15 | C14 | N17 | C22 | 179.9° | 180.0° |
| C15 | C14 | C13 | H1 | 179.7° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C12 | C13 | C14 | N17 | 179.8° | 179.7° |
| C28 | C29 | C32 | O33 | 32.7° | 0.0° |
| C28 | C29 | C32 | H20 | 87.9° | 120.0° |
| C28 | C29 | C32 | H21 | 153.4° | 120.0° |
| C29 | C32 | O33 | H20 | 120.7° | 120.0° |
| C29 | C32 | O33 | H21 | 120.7° | 120.0° |
| C29 | C32 | O33 | C34 | 80.1° | 180.0° |
| C32 | C29 | C28 | H10 | 0.3° | 0.0° |
| C29 | C32 | H20 | H21 | 118.0° | 120.0° |
| C25 | N19 | C18 | N17 | 179.9° | 180.0° |
| C25 | N19 | C18 | O23 | 0.1° | 0.0° |
| N19 | C25 | C26 | H8 | 178.9° | 60.0° |
| N19 | C25 | C26 | H9 | 59.4° | 60.0° |
| N19 | C25 | H18 | H19 | 119.3° | 120.0° |
| N19 | C18 | N17 | C14 | 0.1° | 0.0° |
| N19 | C18 | N17 | O23 | 179.9° | 180.0° |
| N19 | C18 | N17 | C22 | 179.8° | 180.0° |
| C18 | N19 | C25 | H18 | 20.9° | 150.0° |
| C18 | N19 | C25 | H19 | 140.4° | 30.0° |
| C32 | O33 | C34 | C35 | 131.1° | 0.3° |
| C32 | O33 | C34 | C39 | 47.2° | 180.0° |
| O33 | C32 | H20 | H21 | 117.9° | 120.0° |
| C13 | C14 | N17 | C18 | 179.8° | 180.0° |
| C13 | C14 | N17 | C22 | 0.1° | 0.0° |
| C14 | C13 | C12 | H17 | 179.8° | 179.7° |
| C14 | N17 | C18 | C22 | 179.7° | 180.0° |
| C14 | N17 | C18 | O23 | 180.0° | 180.0° |
| N17 | C14 | C13 | H1 | 0.2° | 0.1° |
| C14 | N17 | C22 | H5 | 180.0° | 90.0° |
| C14 | N17 | C22 | H6 | 60.0° | 150.0° |
| C14 | N17 | C22 | H7 | 60.0° | 30.0° |
| O33 | C34 | C35 | C39 | 178.3° | 179.7° |
| O33 | C34 | C35 | C36 | 178.9° | 179.7° |
| O33 | C34 | C39 | C38 | 178.9° | 179.7° |
| C34 | O33 | C32 | H20 | 40.6° | 60.0° |
| C34 | O33 | C32 | H21 | 159.2° | 60.0° |
| O33 | C34 | C35 | H22 | 1.1° | 0.3° |
| O33 | C34 | C39 | H25 | 1.1° | 0.3° |
| C18 | N17 | C22 | H5 | 0.3° | 90.0° |
| C18 | N17 | C22 | H6 | 120.3° | 30.0° |
| C18 | N17 | C22 | H7 | 119.7° | 149.9° |
| O23 | C18 | N17 | C22 | 0.3° | 0.0° |
| N17 | C22 | H5 | H6 | 120.0° | 120.0° |
| N17 | C22 | H5 | H7 | 120.0° | 120.0° |
| N17 | C22 | H6 | H7 | 120.0° | 119.9° |
| C34 | C35 | C36 | H22 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.1° | 0.0° |
| C35 | C34 | C39 | C38 | 0.7° | 0.0° |
| C34 | C35 | C36 | H23 | 178.9° | 180.0° |
| C35 | C34 | C39 | H25 | 179.3° | 180.0° |
| C36 | C35 | C34 | C39 | 0.7° | 0.0° |
| C35 | C36 | C37 | H23 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 3.0° | 0.0° |
| C35 | C36 | C37 | C40 | 177.0° | 180.0° |
| C34 | C39 | C38 | H25 | 180.0° | 180.0° |
| C34 | C39 | C38 | C37 | 1.1° | 0.1° |
| C39 | C34 | C35 | H22 | 179.3° | 180.0° |
| C34 | C39 | C38 | H24 | 178.9° | 179.9° |
| C36 | C37 | C38 | C39 | 3.0° | 0.0° |
| C36 | C37 | C38 | C40 | 173.5° | 180.0° |
| C36 | C37 | C40 | C41 | 57.7° | 120.9° |
| C36 | C37 | C40 | C42 | 71.7° | 120.0° |
| C37 | C36 | C35 | H22 | 178.9° | 180.0° |
| C36 | C37 | C38 | H24 | 177.1° | 180.0° |
| C36 | C37 | C40 | H26 | 167.4° | 0.4° |
| C54 | C44 | C45 | N43 | 179.8° | 180.0° |
| C54 | C44 | C45 | C46 | 180.0° | 180.0° |
| C54 | C44 | N43 | B51 | 1.1° | 0.0° |
| C54 | C44 | N43 | C41 | 178.4° | 180.0° |
| C54 | C44 | C45 | H27 | 0.1° | 0.0° |
| C44 | C54 | H29 | H30 | 120.0° | 120.0° |
| C44 | C54 | H29 | H31 | 120.0° | 120.0° |
| C44 | C54 | H30 | H31 | 120.0° | 119.9° |
| C39 | C38 | C37 | H24 | 180.0° | 180.0° |
| C39 | C38 | C37 | C40 | 176.4° | 180.0° |
| F53 | B51 | N43 | C44 | 68.7° | 73.3° |
| F53 | B51 | N43 | F52 | 115.7° | 120.5° |
| F53 | B51 | N43 | N50 | 125.3° | 119.8° |
| F53 | B51 | N43 | C41 | 114.2° | 106.7° |
| F53 | B51 | F52 | N50 | 116.2° | 120.4° |
| F53 | B51 | N50 | C42 | 112.2° | 106.8° |
| F53 | B51 | N50 | C49 | 68.5° | 73.2° |
| C44 | C45 | C46 | H27 | 180.0° | 179.9° |
| C44 | C45 | C46 | C55 | 179.9° | 180.0° |
| C44 | C45 | C46 | C41 | 1.4° | 0.1° |
| C45 | C44 | N43 | B51 | 179.2° | 180.0° |
| C45 | C44 | N43 | C41 | 1.8° | 0.0° |
| C45 | C44 | C54 | H29 | 90.2° | 90.0° |
| C45 | C44 | C54 | H30 | 149.8° | 30.0° |
| C45 | C44 | C54 | H31 | 29.9° | 149.9° |
| C46 | C45 | C44 | N43 | 0.2° | 0.1° |
| C45 | C46 | C55 | C41 | 178.1° | 179.8° |
| C45 | C46 | C41 | N43 | 2.6° | 0.1° |
| C45 | C46 | C41 | C40 | 176.2° | 180.0° |
| C45 | C46 | C55 | H32 | 90.9° | 90.0° |
| C45 | C46 | C55 | H33 | 149.1° | 150.0° |
| C45 | C46 | C55 | H34 | 29.1° | 29.9° |
| C44 | N43 | C41 | C46 | 2.7° | 0.0° |
| C44 | N43 | B51 | C41 | 177.1° | 180.0° |
| C44 | N43 | B51 | F52 | 47.0° | 47.2° |
| C44 | N43 | B51 | N50 | 166.0° | 166.9° |
| C44 | N43 | C41 | C40 | 177.3° | 180.0° |
| N43 | C44 | C45 | H27 | 179.8° | 180.0° |
| N43 | C44 | C54 | H29 | 90.1° | 90.0° |
| N43 | C44 | C54 | H30 | 29.9° | 150.0° |
| N43 | C44 | C54 | H31 | 149.9° | 30.0° |
| C38 | C37 | C40 | C41 | 116.1° | 59.1° |
| C38 | C37 | C40 | C42 | 114.5° | 60.0° |
| C38 | C37 | C36 | H23 | 177.0° | 180.0° |
| C37 | C38 | C39 | H25 | 178.9° | 180.0° |
| C38 | C37 | C40 | H26 | 6.5° | 179.5° |
| C37 | C40 | C41 | C46 | 60.6° | 73.3° |
| C37 | C40 | C41 | N43 | 112.4° | 106.6° |
| C37 | C40 | C41 | C42 | 131.2° | 119.7° |
| C37 | C40 | C41 | H26 | 109.3° | 120.4° |
| C37 | C40 | C42 | H26 | 120.8° | 120.4° |
| C37 | C40 | C42 | N50 | 103.3° | 106.6° |
| C37 | C40 | C42 | C47 | 76.7° | 73.5° |
| C40 | C37 | C36 | H23 | 3.0° | 0.0° |
| C40 | C37 | C38 | H24 | 3.6° | 0.0° |
| C55 | C46 | C41 | N43 | 179.1° | 180.0° |
| C55 | C46 | C41 | C40 | 5.4° | 0.1° |
| C55 | C46 | C45 | H27 | 0.1° | 0.1° |
| C46 | C55 | H32 | H33 | 120.0° | 120.0° |
| C46 | C55 | H32 | H34 | 120.0° | 120.0° |
| C46 | C55 | H33 | H34 | 120.0° | 120.0° |
| C46 | C41 | N43 | B51 | 179.6° | 180.0° |
| C46 | C41 | N43 | C40 | 174.6° | 180.0° |
| C46 | C41 | C40 | C42 | 168.2° | 166.9° |
| C46 | C41 | C40 | H26 | 48.7° | 47.1° |
| C41 | C46 | C45 | H27 | 178.6° | 180.0° |
| C41 | C46 | C55 | H32 | 91.0° | 90.1° |
| C41 | C46 | C55 | H33 | 29.0° | 29.9° |
| C41 | C46 | C55 | H34 | 149.0° | 149.9° |
| N43 | B51 | F52 | N50 | 127.2° | 119.0° |
| B51 | N43 | C41 | C40 | 5.0° | 0.0° |
| N43 | B51 | N50 | C42 | 13.5° | 13.1° |
| N43 | B51 | N50 | C49 | 165.9° | 166.9° |
| C41 | N43 | B51 | F52 | 130.1° | 132.8° |
| C41 | N43 | B51 | N50 | 11.0° | 13.1° |
| N43 | C41 | C40 | C42 | 18.7° | 13.1° |
| N43 | C41 | C40 | H26 | 138.3° | 133.0° |
| F52 | B51 | N50 | C42 | 132.1° | 132.8° |
| F52 | B51 | N50 | C49 | 47.2° | 47.2° |
| B51 | N50 | C42 | C40 | 0.4° | 0.0° |
| B51 | N50 | C42 | C49 | 179.5° | 180.0° |
| B51 | N50 | C42 | C47 | 179.6° | 179.9° |
| B51 | N50 | C49 | C56 | 0.6° | 0.0° |
| B51 | N50 | C49 | C48 | 179.6° | 180.0° |
| C41 | C40 | C42 | H26 | 119.6° | 119.9° |
| C41 | C40 | C42 | N50 | 16.3° | 13.1° |
| C41 | C40 | C42 | C47 | 163.7° | 166.8° |
| C40 | C42 | N50 | C47 | 179.9° | 180.0° |
| C40 | C42 | N50 | C49 | 179.8° | 180.0° |
| C40 | C42 | C47 | C48 | 179.9° | 180.0° |
| C40 | C42 | C47 | C57 | 0.2° | 0.0° |
| C42 | N50 | C49 | C56 | 180.0° | 180.0° |
| C42 | N50 | C49 | C48 | 0.2° | 0.0° |
| N50 | C42 | C47 | C48 | 0.0° | 0.0° |
| N50 | C42 | C47 | C57 | 179.8° | 179.9° |
| N50 | C42 | C40 | H26 | 135.9° | 133.0° |
| C49 | N50 | C42 | C47 | 0.1° | 0.1° |
| N50 | C49 | C56 | C48 | 179.9° | 180.0° |
| N50 | C49 | C48 | C47 | 0.1° | 0.0° |
| N50 | C49 | C48 | H28 | 179.9° | 179.9° |
| N50 | C49 | C56 | H35 | 90.0° | 90.0° |
| N50 | C49 | C56 | H36 | 149.9° | 29.9° |
| N50 | C49 | C56 | H37 | 29.9° | 150.0° |
| C42 | C47 | C48 | C49 | 0.1° | 0.0° |
| C42 | C47 | C48 | C57 | 179.9° | 180.0° |
| C47 | C42 | C40 | H26 | 44.1° | 47.0° |
| C42 | C47 | C48 | H28 | 179.9° | 179.9° |
| C42 | C47 | C57 | H38 | 89.9° | 90.0° |
| C42 | C47 | C57 | H39 | 150.1° | 150.0° |
| C42 | C47 | C57 | H40 | 30.1° | 30.0° |
| C56 | C49 | C48 | C47 | 180.0° | 180.0° |
| C56 | C49 | C48 | H28 | 0.0° | 0.1° |
| C49 | C56 | H35 | H36 | 120.0° | 120.0° |
| C49 | C56 | H35 | H37 | 120.0° | 120.0° |
| C49 | C56 | H36 | H37 | 120.0° | 120.0° |
| C49 | C48 | C47 | H28 | 180.0° | 179.9° |
| C49 | C48 | C47 | C57 | 179.9° | 180.0° |
| C48 | C49 | C56 | H35 | 90.1° | 90.0° |
| C48 | C49 | C56 | H36 | 29.9° | 150.0° |
| C48 | C49 | C56 | H37 | 149.9° | 30.0° |
| C48 | C47 | C57 | H38 | 89.9° | 90.0° |
| C48 | C47 | C57 | H39 | 30.1° | 29.9° |
| C48 | C47 | C57 | H40 | 150.1° | 150.0° |
| C57 | C47 | C48 | H28 | 0.1° | 0.0° |
| C47 | C57 | H38 | H39 | 120.0° | 120.0° |
| C47 | C57 | H38 | H40 | 120.0° | 120.0° |
| C47 | C57 | H39 | H40 | 120.0° | 120.0° |
| H1 | C13 | C12 | H17 | 0.2° | 0.1° |
| H2 | C21 | H3 | H4 | 120.0° | 120.0° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | C26 | C25 | H18 | 60.8° | 60.0° |
| H8 | C26 | C25 | H19 | 58.7° | 180.0° |
| H9 | C26 | C25 | H18 | 179.7° | 179.9° |
| H9 | C26 | C25 | H19 | 60.8° | 59.9° |
| H11 | C1 | C2 | H12 | 19.9° | 79.4° |
| H11 | C1 | C2 | H13 | 98.8° | 39.9° |
| H12 | C2 | C3 | H14 | 59.9° | 44.6° |
| H12 | C2 | C3 | H15 | 59.6° | 165.4° |
| H13 | C2 | C3 | H14 | 58.9° | 74.7° |
| H13 | C2 | C3 | H15 | 178.4° | 46.1° |
| H22 | C35 | C36 | H23 | 1.1° | 0.0° |
| H24 | C38 | C39 | H25 | 1.1° | 0.1° |
| H29 | C54 | H30 | H31 | 120.0° | 120.0° |
| H32 | C55 | H33 | H34 | 120.0° | 120.0° |
| H35 | C56 | H36 | H37 | 120.0° | 120.0° |
| H38 | C57 | H39 | H40 | 120.0° | 119.9° |
