H0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C48 | C51 | sing | 1.53Å | 1.56Å | |
| C48 | N47 | sing | 1.47Å | 1.49Å | |
| O74 | C73 | doub | 1.22Å | 1.23Å | |
| C51 | C54 | sing | 1.53Å | 1.56Å | |
| O35 | C34 | doub | 1.22Å | 1.23Å | |
| C73 | O72 | sing | 1.34Å | 1.35Å | |
| C73 | N62 | sing | 1.34Å | 1.37Å | |
| O72 | C69 | sing | 1.45Å | 1.44Å | |
| C34 | N36 | sing | 1.35Å | 1.35Å | |
| C34 | C21 | sing | 1.46Å | 1.48Å | |
| C82 | C84 | doub | 1.38Å | 1.40Å | Aromatic |
| C82 | C80 | sing | 1.38Å | 1.42Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | N40 | sing | 1.32Å | 1.35Å | Aromatic |
| C43 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| C54 | N62 | sing | 1.47Å | 1.47Å | |
| C54 | C56 | sing | 1.53Å | 1.55Å | |
| N40 | C39 | doub | 1.32Å | 1.36Å | Aromatic |
| C45 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| N22 | C21 | sing | 1.38Å | 1.32Å | Aromatic |
| N22 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| N62 | C63 | sing | 1.46Å | 1.47Å | |
| C38 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | N36 | sing | 1.40Å | 1.41Å | |
| C39 | N47 | sing | 1.39Å | 1.42Å | |
| N47 | C59 | sing | 1.47Å | 1.50Å | |
| C84 | C75 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C31 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C80 | C78 | doub | 1.38Å | 1.40Å | Aromatic |
| C66 | C69 | sing | 1.53Å | 1.54Å | |
| C66 | C63 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.41Å | 1.40Å | Aromatic |
| C59 | C56 | sing | 1.53Å | 1.55Å | |
| C20 | C25 | sing | 1.47Å | 1.50Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.50Å | |
| CL3 | C30 | sing | 1.74Å | 1.73Å | |
| C30 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C75 | C18 | sing | 1.48Å | 1.50Å | |
| C75 | C76 | doub | 1.40Å | 1.41Å | Aromatic |
| C78 | C76 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.35Å | Aromatic |
| C19 | N14 | sing | 1.38Å | 1.35Å | Aromatic |
| C18 | N17 | sing | 1.34Å | 1.44Å | Aromatic |
| C28 | C26 | sing | 1.37Å | 1.41Å | Aromatic |
| N14 | C12 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.35Å | 1.31Å | Aromatic |
| N17 | C15 | doub | 1.30Å | 1.25Å | Aromatic |
| C12 | C3 | sing | 1.51Å | 1.53Å | |
| C12 | C86 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | CL1 | sing | 1.74Å | 1.74Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C41 | H2 | sing | 1.08Å | 1.08Å | |
| C43 | H3 | sing | 1.08Å | 1.08Å | |
| C45 | H4 | sing | 1.08Å | 1.08Å | |
| C48 | H5 | sing | 1.09Å | 1.10Å | |
| C48 | H6 | sing | 1.09Å | 1.10Å | |
| C51 | H7 | sing | 1.09Å | 1.10Å | |
| C51 | H8 | sing | 1.09Å | 1.10Å | |
| C56 | H9 | sing | 1.09Å | 1.10Å | |
| C56 | H10 | sing | 1.09Å | 1.10Å | |
| C59 | H11 | sing | 1.09Å | 1.10Å | |
| C59 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| N22 | H20 | sing | 0.97Å | 1.00Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| N36 | H22 | sing | 0.97Å | 1.00Å | |
| C54 | H23 | sing | 1.09Å | 1.10Å | |
| C63 | H24 | sing | 1.09Å | 1.10Å | |
| C63 | H25 | sing | 1.09Å | 1.10Å | |
| C66 | H26 | sing | 1.09Å | 1.10Å | |
| C66 | H27 | sing | 1.09Å | 1.10Å | |
| C69 | H28 | sing | 1.09Å | 1.10Å | |
| C69 | H29 | sing | 1.09Å | 1.10Å | |
| C76 | H30 | sing | 1.08Å | 1.08Å | |
| C78 | H31 | sing | 1.08Å | 1.08Å | |
| C80 | H32 | sing | 1.08Å | 1.08Å | |
| C82 | H33 | sing | 1.08Å | 1.08Å | |
| C84 | H34 | sing | 1.08Å | 1.08Å | |
| C86 | H35 | sing | 1.09Å | 1.10Å | |
| C86 | H36 | sing | 1.09Å | 1.10Å | |
| C86 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C48 | N47 | 114.2° | 109.5° |
| C48 | C51 | C54 | 107.2° | 109.3° |
| C51 | C48 | H5 | 108.3° | 109.4° |
| C51 | C48 | H6 | 108.3° | 109.5° |
| C48 | C51 | H7 | 110.0° | 109.5° |
| C48 | C51 | H8 | 110.0° | 109.5° |
| C48 | N47 | C39 | 112.7° | 111.0° |
| C48 | N47 | C59 | 114.5° | 111.2° |
| N47 | C48 | H5 | 108.3° | 109.5° |
| N47 | C48 | H6 | 108.3° | 109.5° |
| O74 | C73 | O72 | 113.8° | 118.5° |
| O74 | C73 | N62 | 123.2° | 118.4° |
| C51 | C54 | N62 | 114.6° | 109.5° |
| C51 | C54 | C56 | 111.7° | 109.2° |
| C54 | C51 | H7 | 110.0° | 109.5° |
| C54 | C51 | H8 | 110.0° | 109.5° |
| C51 | C54 | H23 | 106.2° | 109.5° |
| O35 | C34 | N36 | 125.3° | 120.0° |
| O35 | C34 | C21 | 118.6° | 120.0° |
| O72 | C73 | N62 | 123.0° | 123.1° |
| C73 | O72 | C69 | 118.1° | 117.2° |
| C73 | N62 | C54 | 118.4° | 118.5° |
| C73 | N62 | C63 | 119.5° | 122.9° |
| O72 | C69 | C66 | 110.8° | 108.1° |
| O72 | C69 | H28 | 109.2° | 109.7° |
| O72 | C69 | H29 | 109.1° | 109.7° |
| N36 | C34 | C21 | 116.1° | 120.0° |
| C34 | N36 | C38 | 135.9° | 120.0° |
| C34 | N36 | H22 | 112.0° | 120.0° |
| C34 | C21 | N22 | 121.9° | 125.5° |
| C34 | C21 | C20 | 128.1° | 125.6° |
| C84 | C82 | C80 | 119.2° | 120.2° |
| C82 | C84 | C75 | 119.8° | 119.8° |
| C84 | C82 | H33 | 120.4° | 119.9° |
| C82 | C84 | H34 | 120.1° | 120.1° |
| C82 | C80 | C78 | 121.4° | 120.3° |
| C82 | C80 | H32 | 119.3° | 119.9° |
| C80 | C82 | H33 | 120.4° | 119.9° |
| C43 | C41 | N40 | 120.7° | 121.0° |
| C41 | C43 | C45 | 118.1° | 119.4° |
| C43 | C41 | H2 | 119.6° | 119.5° |
| C41 | C43 | H3 | 120.9° | 120.4° |
| C41 | N40 | C39 | 122.9° | 121.7° |
| N40 | C41 | H2 | 119.6° | 119.5° |
| C43 | C45 | C38 | 120.4° | 118.4° |
| C45 | C43 | H3 | 121.0° | 120.3° |
| C43 | C45 | H4 | 119.8° | 120.8° |
| N62 | C54 | C56 | 110.3° | 109.5° |
| C54 | N62 | C63 | 122.0° | 118.5° |
| N62 | C54 | H23 | 107.2° | 109.5° |
| C54 | C56 | C59 | 109.7° | 109.3° |
| C54 | C56 | H9 | 109.4° | 109.5° |
| C54 | C56 | H10 | 109.4° | 109.5° |
| C56 | C54 | H23 | 106.3° | 109.6° |
| N40 | C39 | C38 | 118.6° | 120.5° |
| N40 | C39 | N47 | 119.1° | 119.7° |
| C45 | C38 | C39 | 119.2° | 119.0° |
| C45 | C38 | N36 | 116.8° | 120.5° |
| C38 | C45 | H4 | 119.8° | 120.8° |
| C21 | N22 | C24 | 111.5° | 110.1° |
| N22 | C21 | C20 | 110.0° | 108.9° |
| C21 | N22 | H20 | 124.2° | 124.9° |
| N22 | C24 | C31 | 129.4° | 132.7° |
| N22 | C24 | C25 | 109.0° | 108.1° |
| C24 | N22 | H20 | 124.2° | 124.9° |
| N62 | C63 | C66 | 115.6° | 109.9° |
| N62 | C63 | H24 | 107.9° | 109.4° |
| N62 | C63 | H25 | 107.9° | 109.4° |
| C39 | C38 | N36 | 123.8° | 120.5° |
| C38 | C39 | N47 | 122.3° | 119.8° |
| C38 | N36 | H22 | 112.1° | 120.0° |
| C39 | N47 | C59 | 116.8° | 111.0° |
| N47 | C59 | C56 | 110.7° | 109.5° |
| N47 | C59 | H11 | 109.1° | 109.4° |
| N47 | C59 | H12 | 109.1° | 109.5° |
| C84 | C75 | C18 | 124.2° | 120.2° |
| C84 | C75 | C76 | 120.4° | 119.8° |
| C75 | C84 | H34 | 120.1° | 120.1° |
| C21 | C20 | C25 | 105.5° | 106.4° |
| C21 | C20 | C19 | 135.0° | 126.8° |
| C24 | C31 | C30 | 114.9° | 119.8° |
| C31 | C24 | C25 | 121.5° | 119.3° |
| C24 | C31 | H21 | 122.6° | 120.1° |
| C31 | C30 | CL3 | 118.3° | 119.6° |
| C31 | C30 | C28 | 123.7° | 120.6° |
| C30 | C31 | H21 | 122.6° | 120.1° |
| C80 | C78 | C76 | 118.9° | 120.1° |
| C80 | C78 | H31 | 120.5° | 119.9° |
| C78 | C80 | H32 | 119.3° | 119.9° |
| C69 | C66 | C63 | 106.3° | 108.3° |
| C69 | C66 | H26 | 110.3° | 109.7° |
| C69 | C66 | H27 | 110.3° | 109.7° |
| C66 | C69 | H28 | 109.1° | 109.7° |
| C66 | C69 | H29 | 109.1° | 109.8° |
| C66 | C63 | H24 | 107.9° | 109.4° |
| C66 | C63 | H25 | 107.9° | 109.3° |
| C63 | C66 | H26 | 110.2° | 109.7° |
| C63 | C66 | H27 | 110.3° | 109.7° |
| C24 | C25 | C20 | 103.9° | 106.5° |
| C24 | C25 | C26 | 123.8° | 120.0° |
| C59 | C56 | H9 | 109.4° | 109.5° |
| C59 | C56 | H10 | 109.4° | 109.5° |
| C56 | C59 | H11 | 109.2° | 109.5° |
| C56 | C59 | H12 | 109.2° | 109.5° |
| C25 | C20 | C19 | 119.5° | 126.8° |
| C20 | C25 | C26 | 132.3° | 133.5° |
| C20 | C19 | C18 | 129.4° | 127.0° |
| C20 | C19 | N14 | 123.4° | 127.0° |
| CL3 | C30 | C28 | 117.9° | 119.7° |
| C30 | C28 | C26 | 120.7° | 120.5° |
| C30 | C28 | H16 | 119.7° | 119.8° |
| C25 | C26 | C28 | 115.4° | 119.8° |
| C25 | C26 | H15 | 122.3° | 120.0° |
| C18 | C75 | C76 | 115.5° | 120.1° |
| C75 | C18 | C19 | 135.0° | 126.3° |
| C75 | C18 | N17 | 121.4° | 126.3° |
| C75 | C76 | C78 | 120.3° | 119.8° |
| C75 | C76 | H30 | 119.8° | 120.1° |
| C78 | C76 | H30 | 119.9° | 120.1° |
| C76 | C78 | H31 | 120.5° | 119.9° |
| C18 | C19 | N14 | 107.3° | 106.1° |
| C19 | C18 | N17 | 103.6° | 107.3° |
| C19 | N14 | C12 | 127.9° | 126.3° |
| C19 | N14 | C15 | 109.9° | 107.3° |
| C18 | N17 | C15 | 109.6° | 109.6° |
| C28 | C26 | H15 | 122.3° | 120.1° |
| C26 | C28 | H16 | 119.7° | 119.7° |
| C12 | N14 | C15 | 122.2° | 126.3° |
| N14 | C12 | C3 | 113.0° | 109.5° |
| N14 | C12 | C86 | 115.7° | 109.5° |
| N14 | C12 | H13 | 107.0° | 109.4° |
| N14 | C15 | N17 | 109.7° | 109.7° |
| N14 | C15 | H14 | 125.2° | 125.1° |
| N17 | C15 | H14 | 125.2° | 125.2° |
| C3 | C12 | C86 | 107.9° | 109.5° |
| C12 | C3 | C2 | 122.4° | 120.0° |
| C12 | C3 | C4 | 118.3° | 120.0° |
| C3 | C12 | H13 | 106.5° | 109.5° |
| C86 | C12 | H13 | 106.1° | 109.5° |
| C12 | C86 | H35 | 109.5° | 109.5° |
| C12 | C86 | H36 | 109.5° | 109.5° |
| C12 | C86 | H37 | 109.4° | 109.5° |
| C3 | C2 | C9 | 120.5° | 120.0° |
| C2 | C3 | C4 | 119.3° | 120.0° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C2 | C9 | C8 | 119.3° | 120.0° |
| C9 | C2 | H1 | 119.7° | 120.0° |
| C2 | C9 | H19 | 120.4° | 120.0° |
| C3 | C4 | C6 | 119.9° | 120.1° |
| C3 | C4 | H17 | 120.1° | 120.0° |
| C9 | C8 | C6 | 120.6° | 119.9° |
| C9 | C8 | CL1 | 119.7° | 120.0° |
| C8 | C9 | H19 | 120.3° | 120.0° |
| C4 | C6 | C8 | 120.3° | 120.0° |
| C6 | C4 | H17 | 120.1° | 119.9° |
| C4 | C6 | H18 | 119.8° | 120.0° |
| C6 | C8 | CL1 | 119.7° | 120.0° |
| C8 | C6 | H18 | 119.9° | 120.0° |
| H5 | C48 | H6 | 109.5° | 109.5° |
| H7 | C51 | H8 | 109.5° | 109.6° |
| H9 | C56 | H10 | 109.4° | 109.5° |
| H11 | C59 | H12 | 109.5° | 109.5° |
| H24 | C63 | H25 | 109.5° | 109.3° |
| H26 | C66 | H27 | 109.5° | 109.8° |
| H28 | C69 | H29 | 109.5° | 109.7° |
| H35 | C86 | H36 | 109.4° | 109.5° |
| H35 | C86 | H37 | 109.5° | 109.5° |
| H36 | C86 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C48 | N47 | H5 | 120.7° | 120.0° |
| C51 | C48 | N47 | H6 | 120.7° | 120.0° |
| C48 | C51 | C54 | H7 | 119.6° | 119.9° |
| C48 | C51 | C54 | H8 | 119.6° | 119.9° |
| C48 | C51 | C54 | N62 | 177.0° | 177.5° |
| C48 | C51 | C54 | C56 | 56.6° | 57.7° |
| C51 | C48 | N47 | C39 | 170.3° | 174.2° |
| C51 | C48 | N47 | C59 | 52.9° | 61.8° |
| C51 | C48 | H5 | H6 | 117.8° | 119.9° |
| C48 | C51 | H7 | H8 | 121.0° | 120.1° |
| C48 | C51 | C54 | H23 | 58.9° | 62.4° |
| N47 | C48 | C51 | C54 | 52.7° | 59.2° |
| C48 | N47 | C39 | N40 | 84.9° | 18.5° |
| C48 | N47 | C39 | C38 | 93.4° | 161.6° |
| C48 | N47 | C39 | C59 | 135.7° | 124.2° |
| C48 | N47 | C59 | C56 | 52.8° | 61.8° |
| N47 | C48 | H5 | H6 | 117.8° | 120.0° |
| N47 | C48 | C51 | H7 | 172.4° | 179.1° |
| N47 | C48 | C51 | H8 | 66.9° | 60.7° |
| C48 | N47 | C59 | H11 | 173.0° | 58.2° |
| C48 | N47 | C59 | H12 | 67.4° | 178.2° |
| O74 | C73 | O72 | N62 | 178.6° | 179.4° |
| O74 | C73 | O72 | C69 | 162.0° | 163.2° |
| O74 | C73 | N62 | C54 | 2.4° | 2.6° |
| O74 | C73 | N62 | C63 | 179.7° | 177.8° |
| C51 | C54 | N62 | C73 | 106.7° | 59.7° |
| C51 | C54 | N62 | C56 | 127.1° | 119.7° |
| C51 | C54 | N62 | H23 | 117.6° | 120.1° |
| C51 | C54 | C56 | H23 | 115.4° | 120.0° |
| C51 | C54 | N62 | C63 | 76.0° | 120.0° |
| C51 | C54 | C56 | C59 | 59.6° | 57.7° |
| C54 | C51 | C48 | H5 | 173.4° | 179.2° |
| C54 | C51 | C48 | H6 | 68.0° | 60.9° |
| C54 | C51 | H7 | H8 | 121.1° | 120.1° |
| C51 | C54 | C56 | H9 | 179.7° | 62.3° |
| C51 | C54 | C56 | H10 | 60.4° | 177.6° |
| O35 | C34 | N36 | C21 | 179.3° | 179.9° |
| O35 | C34 | C21 | N22 | 1.7° | 179.9° |
| O35 | C34 | N36 | C38 | 4.9° | 4.4° |
| O35 | C34 | C21 | C20 | 175.2° | 0.0° |
| O35 | C34 | N36 | H22 | 175.1° | 175.5° |
| O72 | C73 | N62 | C54 | 179.2° | 178.0° |
| O72 | C73 | N62 | C63 | 1.8° | 1.6° |
| C73 | O72 | C69 | C66 | 48.8° | 46.1° |
| C73 | O72 | C69 | H28 | 71.4° | 73.5° |
| C73 | O72 | C69 | H29 | 169.0° | 165.9° |
| N62 | C73 | O72 | C69 | 19.4° | 16.2° |
| C73 | N62 | C54 | C63 | 177.3° | 179.7° |
| C73 | N62 | C54 | C56 | 126.3° | 60.0° |
| C73 | N62 | C63 | C66 | 15.3° | 19.1° |
| C73 | N62 | C54 | H23 | 10.9° | 179.8° |
| C73 | N62 | C63 | H24 | 136.2° | 101.0° |
| C73 | N62 | C63 | H25 | 105.6° | 139.2° |
| O72 | C69 | C66 | H28 | 120.2° | 119.6° |
| O72 | C69 | C66 | H29 | 120.2° | 119.7° |
| O72 | C69 | C66 | C63 | 57.2° | 61.7° |
| O72 | C69 | C66 | H26 | 176.7° | 178.6° |
| O72 | C69 | C66 | H27 | 62.3° | 58.0° |
| O72 | C69 | H28 | H29 | 119.4° | 120.6° |
| C34 | N36 | C38 | C45 | 39.6° | 25.3° |
| N36 | C34 | C21 | N22 | 178.9° | 0.1° |
| C34 | N36 | C38 | C39 | 145.4° | 154.6° |
| C34 | N36 | C38 | H22 | 180.0° | 180.0° |
| N36 | C34 | C21 | C20 | 4.1° | 179.9° |
| C34 | C21 | N22 | C20 | 177.5° | 179.8° |
| C34 | C21 | N22 | C24 | 178.5° | 179.7° |
| C21 | C34 | N36 | C38 | 174.4° | 175.5° |
| C34 | C21 | C20 | C25 | 178.1° | 180.0° |
| C34 | C21 | C20 | C19 | 0.8° | 0.4° |
| C34 | C21 | N22 | H20 | 1.6° | 0.1° |
| C21 | C34 | N36 | H22 | 5.6° | 4.5° |
| C84 | C82 | C80 | H33 | 180.0° | 179.4° |
| C82 | C84 | C75 | H34 | 180.0° | 179.5° |
| C84 | C82 | C80 | C78 | 0.8° | 0.3° |
| C82 | C84 | C75 | C18 | 179.6° | 179.7° |
| C82 | C84 | C75 | C76 | 0.1° | 0.5° |
| C84 | C82 | C80 | H32 | 179.1° | 179.8° |
| C80 | C82 | C84 | C75 | 0.4° | 0.5° |
| C82 | C80 | C78 | H32 | 180.0° | 179.9° |
| C82 | C80 | C78 | C76 | 0.8° | 0.0° |
| C82 | C80 | C78 | H31 | 179.2° | 180.0° |
| C80 | C82 | C84 | H34 | 179.6° | 180.0° |
| C43 | C41 | N40 | H2 | 180.0° | 179.7° |
| C41 | C43 | C45 | H3 | 180.0° | 180.0° |
| C43 | C41 | N40 | C39 | 0.3° | 0.0° |
| C41 | C43 | C45 | C38 | 1.3° | 0.1° |
| C41 | C43 | C45 | H4 | 178.7° | 179.9° |
| N40 | C41 | C43 | C45 | 0.2° | 0.0° |
| C41 | N40 | C39 | C38 | 1.3° | 0.1° |
| C41 | N40 | C39 | N47 | 179.7° | 180.0° |
| N40 | C41 | C43 | H3 | 179.7° | 180.0° |
| C43 | C45 | C38 | H4 | 180.0° | 179.9° |
| C43 | C45 | C38 | C39 | 2.4° | 0.0° |
| C43 | C45 | C38 | N36 | 177.6° | 180.0° |
| C45 | C43 | C41 | H2 | 179.8° | 179.7° |
| N62 | C54 | C56 | H23 | 115.9° | 120.1° |
| C54 | N62 | C63 | C66 | 167.4° | 160.5° |
| N62 | C54 | C56 | C59 | 171.7° | 177.6° |
| N62 | C54 | C51 | H7 | 57.4° | 62.5° |
| N62 | C54 | C51 | H8 | 63.3° | 57.6° |
| N62 | C54 | C56 | H9 | 51.6° | 57.6° |
| N62 | C54 | C56 | H10 | 68.3° | 62.5° |
| C54 | N62 | C63 | H24 | 46.5° | 79.3° |
| C54 | N62 | C63 | H25 | 71.7° | 40.5° |
| C56 | C54 | N62 | C63 | 51.0° | 120.4° |
| C54 | C56 | C59 | N47 | 55.4° | 59.2° |
| C54 | C56 | C59 | H9 | 120.1° | 120.0° |
| C54 | C56 | C59 | H10 | 120.0° | 119.9° |
| C56 | C54 | C51 | H7 | 176.2° | 177.6° |
| C56 | C54 | C51 | H8 | 63.0° | 62.2° |
| C54 | C56 | H9 | H10 | 119.9° | 120.1° |
| C54 | C56 | C59 | H11 | 175.5° | 60.8° |
| C54 | C56 | C59 | H12 | 64.8° | 179.2° |
| N40 | C39 | C38 | C45 | 2.3° | 0.0° |
| N40 | C39 | C38 | N47 | 178.3° | 180.0° |
| N40 | C39 | C38 | N36 | 177.2° | 179.9° |
| N40 | C39 | N47 | C59 | 50.8° | 105.8° |
| C39 | N40 | C41 | H2 | 179.7° | 179.8° |
| C45 | C38 | C39 | N36 | 174.9° | 179.9° |
| C45 | C38 | C39 | N47 | 179.4° | 180.0° |
| C38 | C45 | C43 | H3 | 178.7° | 179.9° |
| C45 | C38 | N36 | H22 | 140.5° | 154.6° |
| C21 | N22 | C24 | H20 | 180.0° | 179.8° |
| C21 | N22 | C24 | C31 | 178.5° | 179.8° |
| C21 | N22 | C24 | C25 | 0.8° | 0.4° |
| N22 | C21 | C20 | C25 | 0.8° | 0.1° |
| N22 | C21 | C20 | C19 | 178.1° | 179.8° |
| C24 | N22 | C21 | C20 | 1.0° | 0.2° |
| N22 | C24 | C31 | C25 | 179.2° | 179.4° |
| N22 | C24 | C31 | C30 | 179.8° | 179.4° |
| N22 | C24 | C25 | C20 | 0.3° | 0.5° |
| N22 | C24 | C25 | C26 | 179.7° | 179.6° |
| N22 | C24 | C31 | H21 | 0.2° | 0.6° |
| N62 | C63 | C66 | C69 | 41.5° | 48.0° |
| N62 | C63 | C66 | H24 | 120.9° | 120.2° |
| N62 | C63 | C66 | H25 | 120.9° | 120.1° |
| C63 | N62 | C54 | H23 | 166.4° | 0.1° |
| N62 | C63 | H24 | H25 | 117.2° | 119.8° |
| N62 | C63 | C66 | H26 | 161.0° | 167.7° |
| N62 | C63 | C66 | H27 | 78.0° | 71.7° |
| C38 | C39 | N47 | C59 | 130.9° | 74.2° |
| C39 | C38 | C45 | H4 | 177.7° | 179.9° |
| C39 | C38 | N36 | H22 | 34.5° | 25.5° |
| N36 | C38 | C39 | N47 | 4.5° | 0.0° |
| N36 | C38 | C45 | H4 | 2.4° | 0.2° |
| C39 | N47 | C59 | C56 | 172.3° | 174.1° |
| C39 | N47 | C48 | H5 | 49.6° | 54.2° |
| C39 | N47 | C48 | H6 | 69.0° | 65.8° |
| C39 | N47 | C59 | H11 | 52.1° | 65.9° |
| C39 | N47 | C59 | H12 | 67.5° | 54.1° |
| N47 | C59 | C56 | H11 | 120.2° | 120.0° |
| N47 | C59 | C56 | H12 | 120.2° | 120.0° |
| C59 | N47 | C48 | H5 | 173.7° | 178.2° |
| C59 | N47 | C48 | H6 | 67.8° | 58.3° |
| N47 | C59 | C56 | H9 | 175.4° | 60.8° |
| N47 | C59 | C56 | H10 | 64.7° | 179.1° |
| N47 | C59 | H11 | H12 | 119.4° | 120.0° |
| C84 | C75 | C18 | C76 | 179.7° | 179.8° |
| C84 | C75 | C76 | C78 | 0.0° | 0.2° |
| C84 | C75 | C18 | C19 | 32.4° | 35.4° |
| C84 | C75 | C18 | N17 | 149.1° | 144.7° |
| C84 | C75 | C76 | H30 | 180.0° | 179.8° |
| C75 | C84 | C82 | H33 | 179.5° | 180.0° |
| C21 | C20 | C25 | C24 | 0.3° | 0.3° |
| C21 | C20 | C25 | C19 | 179.1° | 179.6° |
| C21 | C20 | C25 | C26 | 179.1° | 179.7° |
| C21 | C20 | C19 | C18 | 114.1° | 90.4° |
| C21 | C20 | C19 | N14 | 66.7° | 89.6° |
| C20 | C21 | N22 | H20 | 179.0° | 180.0° |
| C24 | C31 | C30 | H21 | 180.0° | 180.0° |
| C31 | C24 | C25 | C20 | 179.1° | 180.0° |
| C24 | C31 | C30 | CL3 | 178.7° | 180.0° |
| C24 | C31 | C30 | C28 | 0.0° | 0.1° |
| C31 | C24 | C25 | C26 | 0.4° | 0.0° |
| C31 | C24 | N22 | H20 | 1.5° | 0.3° |
| C30 | C31 | C24 | C25 | 0.6° | 0.0° |
| C31 | C30 | CL3 | C28 | 178.7° | 179.9° |
| C31 | C30 | C28 | C26 | 0.9° | 0.1° |
| C31 | C30 | C28 | H16 | 179.1° | 180.0° |
| C80 | C78 | C76 | C75 | 0.4° | 0.0° |
| C80 | C78 | C76 | H31 | 180.0° | 180.0° |
| C80 | C78 | C76 | H30 | 179.6° | 180.0° |
| C78 | C80 | C82 | H33 | 179.1° | 179.7° |
| C69 | C66 | C63 | H26 | 119.5° | 119.7° |
| C69 | C66 | C63 | H27 | 119.5° | 119.7° |
| C69 | C66 | C63 | H24 | 162.4° | 72.2° |
| C69 | C66 | C63 | H25 | 79.3° | 168.1° |
| C69 | C66 | H26 | H27 | 121.5° | 120.6° |
| C66 | C69 | H28 | H29 | 119.3° | 120.7° |
| C66 | C63 | H24 | H25 | 117.2° | 119.7° |
| C63 | C66 | H26 | H27 | 121.5° | 120.5° |
| C63 | C66 | C69 | H28 | 63.0° | 57.9° |
| C63 | C66 | C69 | H29 | 177.4° | 178.6° |
| C24 | C25 | C20 | C26 | 179.4° | 180.0° |
| C24 | C25 | C20 | C19 | 178.7° | 180.0° |
| C24 | C25 | C26 | C28 | 0.5° | 0.0° |
| C24 | C25 | C26 | H15 | 179.5° | 180.0° |
| C25 | C24 | N22 | H20 | 179.2° | 179.8° |
| C25 | C24 | C31 | H21 | 179.4° | 180.0° |
| C59 | C56 | H9 | H10 | 119.9° | 120.1° |
| C56 | C59 | H11 | H12 | 119.4° | 120.0° |
| C59 | C56 | C54 | H23 | 55.8° | 62.3° |
| C25 | C20 | C19 | C18 | 67.2° | 90.1° |
| C25 | C20 | C19 | N14 | 112.0° | 90.0° |
| C20 | C25 | C26 | C28 | 179.8° | 180.0° |
| C20 | C25 | C26 | H15 | 0.2° | 0.0° |
| C19 | C20 | C25 | C26 | 1.8° | 0.0° |
| C20 | C19 | C18 | C75 | 0.8° | 0.1° |
| C20 | C19 | C18 | N14 | 179.3° | 180.0° |
| C20 | C19 | C18 | N17 | 179.5° | 180.0° |
| C20 | C19 | N14 | C12 | 1.3° | 0.2° |
| C20 | C19 | N14 | C15 | 179.7° | 179.8° |
| CL3 | C30 | C28 | C26 | 179.5° | 180.0° |
| CL3 | C30 | C28 | H16 | 0.5° | 0.1° |
| CL3 | C30 | C31 | H21 | 1.4° | 0.0° |
| C30 | C28 | C26 | C25 | 1.0° | 0.0° |
| C30 | C28 | C26 | H16 | 180.0° | 179.9° |
| C30 | C28 | C26 | H15 | 178.9° | 180.0° |
| C28 | C30 | C31 | H21 | 180.0° | 180.0° |
| C25 | C26 | C28 | H15 | 180.0° | 180.0° |
| C25 | C26 | C28 | H16 | 179.0° | 180.0° |
| C18 | C75 | C76 | C78 | 179.7° | 180.0° |
| C75 | C18 | C19 | N17 | 178.7° | 179.9° |
| C75 | C18 | C19 | N14 | 178.5° | 179.9° |
| C75 | C18 | N17 | C15 | 179.0° | 179.9° |
| C18 | C75 | C76 | H30 | 0.4° | 0.0° |
| C18 | C75 | C84 | H34 | 0.4° | 0.3° |
| C75 | C76 | C78 | H30 | 180.0° | 180.0° |
| C76 | C75 | C18 | C19 | 147.3° | 144.8° |
| C76 | C75 | C18 | N17 | 31.2° | 35.1° |
| C75 | C76 | C78 | H31 | 179.6° | 180.0° |
| C76 | C75 | C84 | H34 | 180.0° | 180.0° |
| C76 | C78 | C80 | H32 | 179.1° | 179.9° |
| C18 | C19 | N14 | C12 | 179.4° | 179.9° |
| C18 | C19 | N14 | C15 | 0.3° | 0.1° |
| C19 | C18 | N17 | C15 | 0.1° | 0.1° |
| N14 | C19 | C18 | N17 | 0.2° | 0.0° |
| C19 | N14 | C12 | C15 | 178.9° | 180.0° |
| C19 | N14 | C15 | N17 | 0.4° | 0.2° |
| C19 | N14 | C12 | C3 | 64.0° | 119.9° |
| C19 | N14 | C12 | C86 | 170.9° | 120.0° |
| C19 | N14 | C12 | H13 | 52.9° | 0.0° |
| C19 | N14 | C15 | H14 | 179.6° | 180.0° |
| C18 | N17 | C15 | N14 | 0.3° | 0.2° |
| C18 | N17 | C15 | H14 | 179.7° | 180.0° |
| C12 | N14 | C15 | N17 | 179.5° | 179.8° |
| N14 | C12 | C3 | C86 | 129.2° | 120.0° |
| N14 | C12 | C3 | H13 | 117.2° | 119.9° |
| N14 | C12 | C86 | H13 | 118.5° | 120.0° |
| N14 | C12 | C3 | C2 | 151.0° | 120.0° |
| N14 | C12 | C3 | C4 | 29.2° | 60.0° |
| C12 | N14 | C15 | H14 | 0.5° | 0.0° |
| N14 | C12 | C86 | H35 | 180.0° | 60.0° |
| N14 | C12 | C86 | H36 | 60.0° | 180.0° |
| N14 | C12 | C86 | H37 | 60.0° | 60.0° |
| N14 | C15 | N17 | H14 | 180.0° | 179.8° |
| C15 | N14 | C12 | C3 | 117.0° | 60.0° |
| C15 | N14 | C12 | C86 | 8.1° | 60.0° |
| C15 | N14 | C12 | H13 | 126.0° | 180.0° |
| C3 | C12 | C86 | H13 | 113.8° | 120.0° |
| C12 | C3 | C2 | C4 | 179.8° | 180.0° |
| C12 | C3 | C2 | C9 | 179.8° | 180.0° |
| C12 | C3 | C4 | C6 | 179.7° | 180.0° |
| C12 | C3 | C2 | H1 | 0.1° | 0.3° |
| C12 | C3 | C4 | H17 | 0.3° | 0.1° |
| C3 | C12 | C86 | H35 | 52.3° | 60.0° |
| C3 | C12 | C86 | H36 | 172.3° | 60.0° |
| C3 | C12 | C86 | H37 | 67.7° | 180.0° |
| C86 | C12 | C3 | C2 | 79.7° | 120.0° |
| C86 | C12 | C3 | C4 | 100.1° | 60.0° |
| C12 | C86 | H35 | H36 | 120.0° | 120.0° |
| C12 | C86 | H35 | H37 | 120.0° | 120.0° |
| C12 | C86 | H36 | H37 | 120.0° | 120.0° |
| C3 | C2 | C9 | H1 | 180.0° | 179.7° |
| C3 | C2 | C9 | C8 | 0.1° | 0.0° |
| C2 | C3 | C4 | C6 | 0.5° | 0.0° |
| C2 | C3 | C12 | H13 | 33.8° | 0.1° |
| C2 | C3 | C4 | H17 | 179.5° | 179.9° |
| C3 | C2 | C9 | H19 | 179.9° | 180.0° |
| C9 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C9 | C8 | H19 | 180.0° | 180.0° |
| C2 | C9 | C8 | C6 | 0.4° | 0.0° |
| C2 | C9 | C8 | CL1 | 179.7° | 180.0° |
| C3 | C4 | C6 | H17 | 180.0° | 179.9° |
| C3 | C4 | C6 | C8 | 0.2° | 0.1° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C4 | C3 | C12 | H13 | 146.4° | 179.9° |
| C3 | C4 | C6 | H18 | 179.8° | 180.0° |
| C9 | C8 | C6 | C4 | 0.2° | 0.1° |
| C9 | C8 | C6 | CL1 | 179.4° | 180.0° |
| C8 | C9 | C2 | H1 | 179.9° | 179.7° |
| C9 | C8 | C6 | H18 | 179.8° | 180.0° |
| C4 | C6 | C8 | H18 | 180.0° | 179.9° |
| C4 | C6 | C8 | CL1 | 179.6° | 180.0° |
| C8 | C6 | C4 | H17 | 179.8° | 180.0° |
| C6 | C8 | C9 | H19 | 179.7° | 180.0° |
| CL1 | C8 | C6 | H18 | 0.4° | 0.1° |
| CL1 | C8 | C9 | H19 | 0.3° | 0.0° |
| H1 | C2 | C9 | H19 | 0.1° | 0.3° |
| H2 | C41 | C43 | H3 | 0.3° | 0.3° |
| H3 | C43 | C45 | H4 | 1.3° | 0.1° |
| H5 | C48 | C51 | H7 | 66.9° | 60.9° |
| H5 | C48 | C51 | H8 | 53.8° | 59.3° |
| H6 | C48 | C51 | H7 | 51.7° | 59.1° |
| H6 | C48 | C51 | H8 | 172.4° | 179.2° |
| H7 | C51 | C54 | H23 | 60.7° | 57.6° |
| H8 | C51 | C54 | H23 | 178.5° | 177.7° |
| H9 | C56 | C59 | H11 | 64.4° | 179.3° |
| H9 | C56 | C59 | H12 | 55.2° | 59.2° |
| H9 | C56 | C54 | H23 | 64.3° | 177.7° |
| H10 | C56 | C59 | H11 | 55.5° | 59.2° |
| H10 | C56 | C59 | H12 | 175.2° | 60.9° |
| H10 | C56 | C54 | H23 | 175.8° | 57.6° |
| H13 | C12 | C86 | H35 | 61.5° | 180.0° |
| H13 | C12 | C86 | H36 | 58.4° | 60.0° |
| H13 | C12 | C86 | H37 | 178.5° | 59.9° |
| H15 | C26 | C28 | H16 | 1.1° | 0.1° |
| H17 | C4 | C6 | H18 | 0.2° | 0.1° |
| H24 | C63 | C66 | H26 | 78.1° | 47.5° |
| H24 | C63 | C66 | H27 | 42.9° | 168.1° |
| H25 | C63 | C66 | H26 | 40.2° | 72.2° |
| H25 | C63 | C66 | H27 | 161.2° | 48.4° |
| H26 | C66 | C69 | H28 | 56.5° | 61.7° |
| H26 | C66 | C69 | H29 | 63.1° | 58.9° |
| H27 | C66 | C69 | H28 | 177.5° | 177.6° |
| H27 | C66 | C69 | H29 | 57.9° | 61.7° |
| H30 | C76 | C78 | H31 | 0.4° | 0.0° |
| H31 | C78 | C80 | H32 | 0.8° | 0.1° |
| H32 | C80 | C82 | H33 | 0.9° | 0.4° |
| H33 | C82 | C84 | H34 | 0.4° | 0.6° |
| H35 | C86 | H36 | H37 | 120.0° | 120.0° |
