HRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O49 | C47 | doub | 1.22Å | 1.34Å | |
| O48 | C47 | sing | 1.35Å | 1.22Å | |
| C47 | C44 | sing | 1.47Å | 1.51Å | |
| C44 | C42 | doub | 1.40Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C45 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.75Å | |
| C40 | C39 | doub | 1.39Å | 1.41Å | Aromatic |
| O35 | C34 | doub | 1.22Å | 1.22Å | |
| C38 | C39 | sing | 1.40Å | 1.38Å | Aromatic |
| C38 | N36 | sing | 1.40Å | 1.40Å | |
| C39 | N51 | sing | 1.39Å | 1.40Å | |
| C90 | C12 | sing | 1.53Å | 1.54Å | |
| C2 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | N36 | sing | 1.35Å | 1.35Å | |
| C34 | C21 | sing | 1.46Å | 1.48Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C3 | sing | 1.51Å | 1.54Å | |
| C12 | N14 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| N51 | C52 | sing | 1.47Å | 1.49Å | |
| N51 | C63 | sing | 1.47Å | 1.49Å | |
| C21 | N22 | sing | 1.38Å | 1.30Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.36Å | Aromatic |
| C52 | C55 | sing | 1.53Å | 1.54Å | |
| N22 | C24 | sing | 1.38Å | 1.34Å | Aromatic |
| C8 | CL2 | sing | 1.74Å | 1.74Å | |
| C8 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C63 | C60 | sing | 1.53Å | 1.54Å | |
| N14 | C15 | sing | 1.35Å | 1.30Å | Aromatic |
| N14 | C19 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.48Å | |
| C20 | C25 | sing | 1.47Å | 1.50Å | Aromatic |
| C24 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | N17 | doub | 1.31Å | 1.24Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C55 | C58 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C60 | C58 | sing | 1.53Å | 1.55Å | |
| C58 | N66 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.35Å | 1.44Å | Aromatic |
| C18 | C79 | sing | 1.48Å | 1.51Å | |
| C30 | CL3 | sing | 1.74Å | 1.76Å | |
| C30 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| O78 | C77 | doub | 1.21Å | 1.23Å | |
| C26 | C28 | sing | 1.37Å | 1.40Å | Aromatic |
| N66 | C77 | sing | 1.34Å | 1.37Å | |
| N66 | C67 | sing | 1.46Å | 1.47Å | |
| C88 | C79 | doub | 1.39Å | 1.41Å | Aromatic |
| C88 | C86 | sing | 1.38Å | 1.41Å | Aromatic |
| C79 | C80 | sing | 1.40Å | 1.40Å | Aromatic |
| C77 | O76 | sing | 1.34Å | 1.35Å | |
| C67 | C70 | sing | 1.53Å | 1.54Å | |
| C86 | C84 | doub | 1.38Å | 1.40Å | Aromatic |
| C80 | C82 | doub | 1.38Å | 1.40Å | Aromatic |
| O76 | C73 | sing | 1.45Å | 1.44Å | |
| C70 | C73 | sing | 1.53Å | 1.54Å | |
| C84 | C82 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | H1 | sing | 1.08Å | 1.08Å | |
| C45 | H2 | sing | 1.08Å | 1.08Å | |
| C52 | H3 | sing | 1.09Å | 1.10Å | |
| C52 | H4 | sing | 1.09Å | 1.10Å | |
| C55 | H5 | sing | 1.09Å | 1.10Å | |
| C55 | H6 | sing | 1.09Å | 1.10Å | |
| C58 | H7 | sing | 1.09Å | 1.10Å | |
| C60 | H8 | sing | 1.09Å | 1.10Å | |
| C60 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| N36 | H19 | sing | 0.97Å | 1.00Å | |
| C40 | H20 | sing | 1.08Å | 1.08Å | |
| O48 | H21 | sing | 0.97Å | 0.95Å | |
| C63 | H22 | sing | 1.09Å | 1.10Å | |
| C63 | H23 | sing | 1.09Å | 1.10Å | |
| C67 | H24 | sing | 1.09Å | 1.10Å | |
| C67 | H25 | sing | 1.09Å | 1.10Å | |
| C70 | H26 | sing | 1.09Å | 1.10Å | |
| C70 | H27 | sing | 1.09Å | 1.10Å | |
| C73 | H28 | sing | 1.09Å | 1.10Å | |
| C73 | H29 | sing | 1.09Å | 1.10Å | |
| C80 | H30 | sing | 1.08Å | 1.08Å | |
| C82 | H31 | sing | 1.08Å | 1.08Å | |
| C84 | H32 | sing | 1.08Å | 1.08Å | |
| C86 | H33 | sing | 1.08Å | 1.08Å | |
| C88 | H34 | sing | 1.08Å | 1.08Å | |
| C90 | H35 | sing | 1.09Å | 1.10Å | |
| C90 | H36 | sing | 1.09Å | 1.10Å | |
| C90 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O49 | C47 | O48 | 121.0° | 120.0° |
| O49 | C47 | C44 | 119.4° | 120.0° |
| O48 | C47 | C44 | 119.5° | 120.0° |
| C47 | O48 | H21 | 109.5° | 117.0° |
| C47 | C44 | C42 | 120.7° | 120.0° |
| C47 | C44 | C45 | 119.8° | 120.1° |
| C42 | C44 | C45 | 119.5° | 119.9° |
| C44 | C42 | C40 | 119.6° | 120.0° |
| C44 | C42 | H1 | 120.2° | 120.0° |
| C44 | C45 | C38 | 121.1° | 119.9° |
| C44 | C45 | H2 | 119.5° | 120.1° |
| C42 | C40 | C39 | 120.0° | 120.1° |
| C40 | C42 | H1 | 120.2° | 120.0° |
| C42 | C40 | H20 | 120.0° | 119.9° |
| C45 | C38 | C39 | 119.2° | 120.0° |
| C45 | C38 | N36 | 119.5° | 120.0° |
| C38 | C45 | H2 | 119.4° | 120.1° |
| CL1 | C2 | C9 | 118.0° | 120.0° |
| CL1 | C2 | C3 | 121.7° | 120.0° |
| C40 | C39 | C38 | 120.5° | 120.1° |
| C40 | C39 | N51 | 121.2° | 119.9° |
| C39 | C40 | H20 | 120.0° | 120.0° |
| O35 | C34 | N36 | 123.1° | 120.0° |
| O35 | C34 | C21 | 118.0° | 120.0° |
| C39 | C38 | N36 | 120.9° | 120.0° |
| C38 | C39 | N51 | 118.3° | 120.0° |
| C38 | N36 | C34 | 130.5° | 120.0° |
| C38 | N36 | H19 | 114.8° | 120.1° |
| C39 | N51 | C52 | 115.1° | 111.0° |
| C39 | N51 | C63 | 114.5° | 111.0° |
| C90 | C12 | C3 | 112.7° | 109.5° |
| C90 | C12 | N14 | 115.3° | 109.5° |
| C90 | C12 | H10 | 106.5° | 109.5° |
| C12 | C90 | H35 | 109.5° | 109.5° |
| C12 | C90 | H36 | 109.5° | 109.4° |
| C12 | C90 | H37 | 109.5° | 109.5° |
| C9 | C2 | C3 | 120.4° | 120.0° |
| C2 | C9 | C8 | 119.3° | 120.0° |
| C2 | C9 | H16 | 120.3° | 120.0° |
| C2 | C3 | C12 | 119.4° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| N36 | C34 | C21 | 118.7° | 120.0° |
| C34 | N36 | H19 | 114.8° | 120.0° |
| C34 | C21 | N22 | 123.5° | 125.5° |
| C34 | C21 | C20 | 127.1° | 125.5° |
| C9 | C8 | CL2 | 118.8° | 120.0° |
| C9 | C8 | C6 | 121.2° | 120.0° |
| C8 | C9 | H16 | 120.3° | 120.0° |
| C3 | C12 | N14 | 108.1° | 109.5° |
| C12 | C3 | C4 | 120.8° | 120.0° |
| C3 | C12 | H10 | 106.5° | 109.4° |
| C12 | N14 | C15 | 124.6° | 126.3° |
| C12 | N14 | C19 | 125.2° | 126.3° |
| N14 | C12 | H10 | 107.3° | 109.4° |
| C3 | C4 | C6 | 120.1° | 120.1° |
| C3 | C4 | H14 | 120.0° | 120.0° |
| C52 | N51 | C63 | 119.1° | 111.2° |
| N51 | C52 | C55 | 112.7° | 109.5° |
| N51 | C52 | H3 | 108.7° | 109.5° |
| N51 | C52 | H4 | 108.7° | 109.4° |
| N51 | C63 | C60 | 110.6° | 109.5° |
| N51 | C63 | H22 | 109.2° | 109.5° |
| N51 | C63 | H23 | 109.2° | 109.4° |
| N22 | C21 | C20 | 109.0° | 108.9° |
| C21 | N22 | C24 | 112.0° | 110.1° |
| C21 | N22 | H17 | 124.0° | 125.0° |
| C21 | C20 | C19 | 132.3° | 126.9° |
| C21 | C20 | C25 | 106.8° | 106.4° |
| C52 | C55 | C58 | 109.3° | 109.3° |
| C55 | C52 | H3 | 108.6° | 109.5° |
| C55 | C52 | H4 | 108.7° | 109.4° |
| C52 | C55 | H5 | 109.5° | 109.5° |
| C52 | C55 | H6 | 109.5° | 109.5° |
| N22 | C24 | C31 | 129.1° | 132.7° |
| N22 | C24 | C25 | 109.6° | 108.1° |
| C24 | N22 | H17 | 124.0° | 124.9° |
| CL2 | C8 | C6 | 120.1° | 120.0° |
| C8 | C6 | C4 | 119.3° | 120.0° |
| C8 | C6 | H15 | 120.3° | 120.0° |
| C63 | C60 | C58 | 108.9° | 109.3° |
| C63 | C60 | H8 | 109.6° | 109.5° |
| C63 | C60 | H9 | 109.6° | 109.6° |
| C60 | C63 | H22 | 109.2° | 109.5° |
| C60 | C63 | H23 | 109.2° | 109.5° |
| C15 | N14 | C19 | 110.2° | 107.4° |
| N14 | C15 | N17 | 109.0° | 109.6° |
| N14 | C15 | H11 | 125.5° | 125.2° |
| N14 | C19 | C20 | 124.0° | 127.0° |
| N14 | C19 | C18 | 108.3° | 106.1° |
| C6 | C4 | H14 | 119.9° | 119.9° |
| C4 | C6 | H15 | 120.4° | 120.0° |
| C19 | C20 | C25 | 120.9° | 126.8° |
| C20 | C19 | C18 | 127.8° | 126.9° |
| C20 | C25 | C24 | 102.6° | 106.5° |
| C20 | C25 | C26 | 134.7° | 133.5° |
| C31 | C24 | C25 | 121.4° | 119.2° |
| C24 | C31 | C30 | 116.9° | 119.8° |
| C24 | C31 | H18 | 121.6° | 120.1° |
| C24 | C25 | C26 | 122.7° | 120.0° |
| C15 | N17 | C18 | 110.3° | 109.6° |
| N17 | C15 | H11 | 125.5° | 125.2° |
| C19 | C18 | N17 | 102.3° | 107.3° |
| C19 | C18 | C79 | 135.1° | 126.3° |
| C31 | C30 | CL3 | 118.8° | 119.7° |
| C31 | C30 | C28 | 121.3° | 120.6° |
| C30 | C31 | H18 | 121.6° | 120.1° |
| C55 | C58 | C60 | 109.1° | 109.2° |
| C55 | C58 | N66 | 109.3° | 109.5° |
| C58 | C55 | H5 | 109.5° | 109.5° |
| C58 | C55 | H6 | 109.5° | 109.5° |
| C55 | C58 | H7 | 107.9° | 109.5° |
| C25 | C26 | C28 | 116.6° | 119.9° |
| C25 | C26 | H12 | 121.7° | 120.0° |
| C60 | C58 | N66 | 113.8° | 109.5° |
| C60 | C58 | H7 | 107.7° | 109.6° |
| C58 | C60 | H8 | 109.6° | 109.5° |
| C58 | C60 | H9 | 109.6° | 109.5° |
| C58 | N66 | C77 | 117.3° | 118.5° |
| C58 | N66 | C67 | 122.2° | 118.5° |
| N66 | C58 | H7 | 108.8° | 109.5° |
| N17 | C18 | C79 | 122.5° | 126.4° |
| C18 | C79 | C88 | 122.8° | 120.2° |
| C18 | C79 | C80 | 117.9° | 120.1° |
| CL3 | C30 | C28 | 119.9° | 119.7° |
| C30 | C28 | C26 | 121.2° | 120.5° |
| C30 | C28 | H13 | 119.4° | 119.8° |
| O78 | C77 | N66 | 121.6° | 118.5° |
| O78 | C77 | O76 | 115.3° | 118.4° |
| C28 | C26 | H12 | 121.7° | 120.1° |
| C26 | C28 | H13 | 119.4° | 119.8° |
| C77 | N66 | C67 | 120.5° | 123.0° |
| N66 | C77 | O76 | 123.0° | 123.1° |
| N66 | C67 | C70 | 114.5° | 109.9° |
| N66 | C67 | H24 | 108.2° | 109.4° |
| N66 | C67 | H25 | 108.2° | 109.4° |
| C79 | C88 | C86 | 120.1° | 119.8° |
| C88 | C79 | C80 | 119.2° | 119.8° |
| C79 | C88 | H34 | 119.9° | 120.1° |
| C88 | C86 | C84 | 120.4° | 120.1° |
| C88 | C86 | H33 | 119.8° | 119.9° |
| C86 | C88 | H34 | 120.0° | 120.0° |
| C79 | C80 | C82 | 120.7° | 119.8° |
| C79 | C80 | H30 | 119.6° | 120.1° |
| C77 | O76 | C73 | 115.7° | 117.2° |
| C67 | C70 | C73 | 106.6° | 108.4° |
| C70 | C67 | H24 | 108.2° | 109.4° |
| C70 | C67 | H25 | 108.2° | 109.4° |
| C67 | C70 | H26 | 110.2° | 109.7° |
| C67 | C70 | H27 | 110.2° | 109.7° |
| C86 | C84 | C82 | 119.5° | 120.3° |
| C86 | C84 | H32 | 120.2° | 119.8° |
| C84 | C86 | H33 | 119.8° | 120.0° |
| C80 | C82 | C84 | 120.0° | 120.2° |
| C82 | C80 | H30 | 119.7° | 120.1° |
| C80 | C82 | H31 | 120.0° | 119.9° |
| O76 | C73 | C70 | 110.3° | 108.2° |
| O76 | C73 | H28 | 109.2° | 109.7° |
| O76 | C73 | H29 | 109.3° | 109.8° |
| C73 | C70 | H26 | 110.2° | 109.7° |
| C73 | C70 | H27 | 110.2° | 109.7° |
| C70 | C73 | H28 | 109.2° | 109.7° |
| C70 | C73 | H29 | 109.2° | 109.7° |
| C84 | C82 | H31 | 120.0° | 119.9° |
| C82 | C84 | H32 | 120.3° | 119.9° |
| H3 | C52 | H4 | 109.5° | 109.5° |
| H5 | C55 | H6 | 109.5° | 109.6° |
| H8 | C60 | H9 | 109.5° | 109.4° |
| H22 | C63 | H23 | 109.4° | 109.5° |
| H24 | C67 | H25 | 109.5° | 109.3° |
| H26 | C70 | H27 | 109.5° | 109.7° |
| H28 | C73 | H29 | 109.5° | 109.7° |
| H35 | C90 | H36 | 109.5° | 109.5° |
| H35 | C90 | H37 | 109.4° | 109.5° |
| H36 | C90 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O49 | C47 | O48 | C44 | 177.4° | 180.0° |
| O49 | C47 | C44 | C42 | 10.3° | 180.0° |
| O49 | C47 | C44 | C45 | 168.5° | 0.0° |
| O49 | C47 | O48 | H21 | 0.0° | 0.0° |
| O48 | C47 | C44 | C42 | 172.3° | 0.0° |
| O48 | C47 | C44 | C45 | 8.9° | 180.0° |
| C47 | C44 | C42 | C45 | 178.8° | 180.0° |
| C47 | C44 | C42 | C40 | 179.2° | 179.9° |
| C47 | C44 | C45 | C38 | 179.3° | 180.0° |
| C47 | C44 | C42 | H1 | 0.8° | 0.3° |
| C47 | C44 | C45 | H2 | 0.7° | 0.1° |
| C44 | C47 | O48 | H21 | 177.4° | 180.0° |
| C44 | C42 | C40 | H1 | 180.0° | 179.8° |
| C42 | C44 | C45 | C38 | 1.9° | 0.0° |
| C44 | C42 | C40 | C39 | 0.7° | 0.1° |
| C42 | C44 | C45 | H2 | 178.1° | 180.0° |
| C44 | C42 | C40 | H20 | 179.3° | 179.7° |
| C45 | C44 | C42 | C40 | 0.4° | 0.1° |
| C44 | C45 | C38 | H2 | 180.0° | 179.9° |
| C44 | C45 | C38 | C39 | 3.6° | 0.0° |
| C44 | C45 | C38 | N36 | 176.5° | 179.9° |
| C45 | C44 | C42 | H1 | 179.6° | 179.7° |
| C42 | C40 | C39 | H20 | 180.0° | 179.7° |
| C42 | C40 | C39 | C38 | 2.5° | 0.0° |
| C42 | C40 | C39 | N51 | 179.9° | 180.0° |
| C45 | C38 | C39 | C40 | 3.9° | 0.0° |
| C45 | C38 | C39 | N36 | 172.8° | 179.9° |
| C45 | C38 | C39 | N51 | 178.4° | 180.0° |
| C45 | C38 | N36 | C34 | 44.4° | 34.7° |
| C45 | C38 | N36 | H19 | 135.6° | 145.3° |
| CL1 | C2 | C9 | C3 | 178.4° | 179.8° |
| CL1 | C2 | C9 | C8 | 179.1° | 179.7° |
| CL1 | C2 | C3 | C12 | 2.3° | 0.2° |
| CL1 | C2 | C3 | C4 | 179.9° | 179.8° |
| CL1 | C2 | C9 | H16 | 0.9° | 0.2° |
| C40 | C39 | C38 | N51 | 177.7° | 180.0° |
| C40 | C39 | C38 | N36 | 176.7° | 180.0° |
| C40 | C39 | N51 | C52 | 78.7° | 60.0° |
| C40 | C39 | N51 | C63 | 64.7° | 64.2° |
| C39 | C40 | C42 | H1 | 179.3° | 179.7° |
| O35 | C34 | N36 | C38 | 1.5° | 4.5° |
| O35 | C34 | N36 | C21 | 173.9° | 180.0° |
| O35 | C34 | C21 | N22 | 5.3° | 179.9° |
| O35 | C34 | C21 | C20 | 167.1° | 0.0° |
| O35 | C34 | N36 | H19 | 178.5° | 175.6° |
| C39 | C38 | N36 | C34 | 142.9° | 145.3° |
| C38 | C39 | N51 | C52 | 98.9° | 120.0° |
| C38 | C39 | N51 | C63 | 117.6° | 115.7° |
| C39 | C38 | C45 | H2 | 176.4° | 179.9° |
| C39 | C38 | N36 | H19 | 37.1° | 34.6° |
| C38 | C39 | C40 | H20 | 177.5° | 179.7° |
| N36 | C38 | C39 | N51 | 5.7° | 0.0° |
| C38 | N36 | C34 | H19 | 180.0° | 179.9° |
| C38 | N36 | C34 | C21 | 172.4° | 175.5° |
| N36 | C38 | C45 | H2 | 3.5° | 0.0° |
| C39 | N51 | C52 | C63 | 141.7° | 124.1° |
| C39 | N51 | C52 | C55 | 174.4° | 174.1° |
| C39 | N51 | C63 | C60 | 171.7° | 174.1° |
| C39 | N51 | C52 | H3 | 65.1° | 54.1° |
| C39 | N51 | C52 | H4 | 53.9° | 65.9° |
| N51 | C39 | C40 | H20 | 0.1° | 0.3° |
| C39 | N51 | C63 | H22 | 51.5° | 65.8° |
| C39 | N51 | C63 | H23 | 68.1° | 54.2° |
| C90 | C12 | C3 | C2 | 95.6° | 120.0° |
| C90 | C12 | C3 | N14 | 128.6° | 120.0° |
| C90 | C12 | C3 | H10 | 116.4° | 120.1° |
| C90 | C12 | N14 | H10 | 118.4° | 120.0° |
| C90 | C12 | C3 | C4 | 86.8° | 60.0° |
| C90 | C12 | N14 | C15 | 10.5° | 60.0° |
| C90 | C12 | N14 | C19 | 170.8° | 120.0° |
| C12 | C90 | H35 | H36 | 120.0° | 120.0° |
| C12 | C90 | H35 | H37 | 120.0° | 120.1° |
| C12 | C90 | H36 | H37 | 120.0° | 120.0° |
| C2 | C9 | C8 | H16 | 180.0° | 180.0° |
| C9 | C2 | C3 | C12 | 179.3° | 180.0° |
| C9 | C2 | C3 | C4 | 1.7° | 0.0° |
| C2 | C9 | C8 | CL2 | 180.0° | 180.0° |
| C2 | C9 | C8 | C6 | 0.4° | 0.1° |
| C3 | C2 | C9 | C8 | 0.7° | 0.1° |
| C2 | C3 | C12 | C4 | 177.6° | 180.0° |
| C2 | C3 | C12 | N14 | 135.8° | 120.0° |
| C2 | C3 | C4 | C6 | 1.6° | 0.0° |
| C2 | C3 | C12 | H10 | 20.8° | 0.1° |
| C2 | C3 | C4 | H14 | 178.4° | 180.0° |
| C3 | C2 | C9 | H16 | 179.3° | 180.0° |
| N36 | C34 | C21 | N22 | 179.5° | 0.0° |
| N36 | C34 | C21 | C20 | 7.1° | 180.0° |
| C34 | C21 | N22 | C20 | 173.5° | 180.0° |
| C34 | C21 | N22 | C24 | 176.4° | 179.8° |
| C34 | C21 | C20 | C19 | 3.6° | 0.0° |
| C34 | C21 | C20 | C25 | 175.2° | 179.7° |
| C34 | C21 | N22 | H17 | 3.6° | 0.0° |
| C21 | C34 | N36 | H19 | 7.5° | 4.5° |
| C9 | C8 | CL2 | C6 | 179.6° | 179.9° |
| C9 | C8 | C6 | C4 | 0.5° | 0.1° |
| C9 | C8 | C6 | H15 | 179.5° | 179.9° |
| C3 | C12 | N14 | H10 | 114.5° | 119.9° |
| C3 | C12 | N14 | C15 | 116.6° | 60.1° |
| C3 | C12 | N14 | C19 | 62.1° | 119.9° |
| C12 | C3 | C4 | C6 | 179.2° | 180.0° |
| C12 | C3 | C4 | H14 | 0.8° | 0.0° |
| C3 | C12 | C90 | H35 | 180.0° | 60.0° |
| C3 | C12 | C90 | H36 | 60.0° | 60.0° |
| C3 | C12 | C90 | H37 | 60.0° | 179.9° |
| N14 | C12 | C3 | C4 | 41.8° | 60.0° |
| C12 | N14 | C15 | C19 | 178.9° | 180.0° |
| C12 | N14 | C19 | C20 | 0.7° | 0.2° |
| C12 | N14 | C15 | N17 | 179.1° | 179.9° |
| C12 | N14 | C19 | C18 | 178.4° | 179.8° |
| C12 | N14 | C15 | H11 | 0.9° | 0.3° |
| N14 | C12 | C90 | H35 | 55.3° | 60.0° |
| N14 | C12 | C90 | H36 | 64.7° | 180.0° |
| N14 | C12 | C90 | H37 | 175.3° | 60.1° |
| C3 | C4 | C6 | C8 | 0.5° | 0.0° |
| C3 | C4 | C6 | H14 | 180.0° | 179.9° |
| C4 | C3 | C12 | H10 | 156.8° | 179.9° |
| C3 | C4 | C6 | H15 | 179.5° | 180.0° |
| N51 | C52 | C55 | H3 | 120.5° | 120.1° |
| N51 | C52 | C55 | H4 | 120.5° | 119.9° |
| C52 | N51 | C63 | C60 | 46.4° | 61.7° |
| N51 | C52 | C55 | C58 | 49.3° | 59.1° |
| N51 | C52 | H3 | H4 | 118.5° | 120.0° |
| N51 | C52 | C55 | H5 | 169.2° | 179.1° |
| N51 | C52 | C55 | H6 | 70.7° | 60.8° |
| C52 | N51 | C63 | H22 | 166.6° | 58.3° |
| C52 | N51 | C63 | H23 | 73.8° | 178.3° |
| C63 | N51 | C52 | C55 | 43.9° | 61.7° |
| N51 | C63 | C60 | H22 | 120.2° | 120.0° |
| N51 | C63 | C60 | H23 | 120.2° | 120.0° |
| N51 | C63 | C60 | C58 | 54.7° | 59.2° |
| C63 | N51 | C52 | H3 | 76.5° | 178.2° |
| C63 | N51 | C52 | H4 | 164.4° | 58.2° |
| N51 | C63 | C60 | H8 | 65.2° | 179.2° |
| N51 | C63 | C60 | H9 | 174.6° | 60.8° |
| N51 | C63 | H22 | H23 | 119.5° | 120.0° |
| C21 | N22 | C24 | H17 | 180.0° | 179.8° |
| N22 | C21 | C20 | C19 | 176.9° | 180.0° |
| N22 | C21 | C20 | C25 | 1.9° | 0.3° |
| C21 | N22 | C24 | C31 | 178.3° | 179.8° |
| C21 | N22 | C24 | C25 | 2.6° | 0.0° |
| C20 | C21 | N22 | C24 | 2.8° | 0.2° |
| C21 | C20 | C19 | N14 | 65.5° | 89.6° |
| C21 | C20 | C19 | C25 | 178.7° | 179.6° |
| C21 | C20 | C25 | C24 | 0.4° | 0.3° |
| C21 | C20 | C19 | C18 | 115.6° | 90.3° |
| C21 | C20 | C25 | C26 | 178.4° | 179.8° |
| C20 | C21 | N22 | H17 | 177.1° | 180.0° |
| C52 | C55 | C58 | H5 | 119.9° | 119.9° |
| C52 | C55 | C58 | H6 | 120.0° | 119.9° |
| C52 | C55 | C58 | C60 | 60.8° | 57.7° |
| C52 | C55 | C58 | N66 | 174.1° | 177.5° |
| C55 | C52 | H3 | H4 | 118.5° | 120.0° |
| C52 | C55 | H5 | H6 | 120.1° | 120.1° |
| C52 | C55 | C58 | H7 | 56.0° | 62.3° |
| N22 | C24 | C25 | C20 | 1.3° | 0.2° |
| N22 | C24 | C31 | C25 | 178.9° | 179.8° |
| N22 | C24 | C31 | C30 | 179.2° | 179.8° |
| N22 | C24 | C25 | C26 | 179.8° | 179.9° |
| N22 | C24 | C31 | H18 | 0.7° | 0.2° |
| CL2 | C8 | C6 | C4 | 179.9° | 180.0° |
| CL2 | C8 | C6 | H15 | 0.1° | 0.0° |
| CL2 | C8 | C9 | H16 | 0.0° | 0.0° |
| C8 | C6 | C4 | H15 | 180.0° | 180.0° |
| C8 | C6 | C4 | H14 | 179.5° | 179.9° |
| C6 | C8 | C9 | H16 | 179.6° | 179.9° |
| C63 | C60 | C58 | C55 | 64.2° | 57.7° |
| C63 | C60 | C58 | H8 | 119.9° | 119.9° |
| C63 | C60 | C58 | H9 | 119.9° | 120.0° |
| C63 | C60 | C58 | N66 | 173.5° | 177.6° |
| C63 | C60 | C58 | H7 | 52.7° | 62.3° |
| C63 | C60 | H8 | H9 | 120.3° | 120.1° |
| C60 | C63 | H22 | H23 | 119.5° | 120.0° |
| C15 | N14 | C19 | C20 | 179.6° | 179.9° |
| N14 | C15 | N17 | H11 | 180.0° | 179.8° |
| C15 | N14 | C19 | C18 | 0.5° | 0.2° |
| N14 | C15 | N17 | C18 | 0.9° | 0.2° |
| C15 | N14 | C12 | H10 | 128.8° | 180.0° |
| N14 | C19 | C20 | C18 | 178.9° | 179.9° |
| N14 | C19 | C20 | C25 | 113.1° | 90.0° |
| C19 | N14 | C15 | N17 | 0.2° | 0.0° |
| N14 | C19 | C18 | N17 | 1.0° | 0.3° |
| N14 | C19 | C18 | C79 | 177.0° | 179.9° |
| C19 | N14 | C12 | H10 | 52.4° | 0.0° |
| C19 | N14 | C15 | H11 | 179.8° | 179.7° |
| C19 | C20 | C25 | C24 | 178.6° | 180.0° |
| C19 | C20 | C25 | C26 | 2.6° | 0.1° |
| C20 | C19 | C18 | N17 | 180.0° | 179.8° |
| C20 | C19 | C18 | C79 | 3.9° | 0.0° |
| C20 | C25 | C24 | C31 | 179.6° | 180.0° |
| C20 | C25 | C24 | C26 | 178.9° | 179.9° |
| C25 | C20 | C19 | C18 | 65.7° | 90.1° |
| C20 | C25 | C26 | C28 | 178.9° | 179.9° |
| C20 | C25 | C26 | H12 | 1.1° | 0.1° |
| C24 | C31 | C30 | H18 | 180.0° | 180.0° |
| C31 | C24 | C25 | C26 | 0.7° | 0.0° |
| C24 | C31 | C30 | CL3 | 179.7° | 179.9° |
| C24 | C31 | C30 | C28 | 0.4° | 0.0° |
| C31 | C24 | N22 | H17 | 1.7° | 0.0° |
| C25 | C24 | C31 | C30 | 0.3° | 0.0° |
| C24 | C25 | C26 | C28 | 0.3° | 0.0° |
| C24 | C25 | C26 | H12 | 179.7° | 180.0° |
| C25 | C24 | N22 | H17 | 177.4° | 179.8° |
| C25 | C24 | C31 | H18 | 179.7° | 180.0° |
| C15 | N17 | C18 | C19 | 1.2° | 0.3° |
| C15 | N17 | C18 | C79 | 177.9° | 179.9° |
| C19 | C18 | N17 | C79 | 176.7° | 179.8° |
| C19 | C18 | C79 | C88 | 30.7° | 35.2° |
| C19 | C18 | C79 | C80 | 152.4° | 145.0° |
| C31 | C30 | CL3 | C28 | 179.9° | 180.0° |
| C31 | C30 | C28 | C26 | 0.8° | 0.0° |
| C31 | C30 | C28 | H13 | 179.2° | 180.0° |
| C55 | C58 | C60 | N66 | 122.4° | 119.9° |
| C55 | C58 | C60 | H7 | 116.9° | 120.0° |
| C55 | C58 | N66 | H7 | 117.6° | 120.1° |
| C55 | C58 | N66 | C77 | 103.5° | 60.0° |
| C55 | C58 | N66 | C67 | 77.6° | 119.8° |
| C58 | C55 | C52 | H3 | 71.2° | 179.2° |
| C58 | C55 | C52 | H4 | 169.8° | 60.8° |
| C58 | C55 | H5 | H6 | 120.1° | 120.1° |
| C55 | C58 | C60 | H8 | 55.8° | 177.6° |
| C55 | C58 | C60 | H9 | 176.0° | 62.3° |
| C25 | C26 | C28 | C30 | 0.4° | 0.0° |
| C25 | C26 | C28 | H12 | 180.0° | 180.0° |
| C25 | C26 | C28 | H13 | 179.6° | 180.0° |
| C60 | C58 | N66 | H7 | 120.2° | 120.2° |
| C60 | C58 | N66 | C77 | 134.3° | 59.7° |
| C60 | C58 | N66 | C67 | 44.6° | 120.6° |
| C60 | C58 | C55 | H5 | 179.2° | 177.6° |
| C60 | C58 | C55 | H6 | 59.2° | 62.3° |
| C58 | C60 | H8 | H9 | 120.3° | 120.1° |
| C58 | C60 | C63 | H22 | 174.9° | 60.8° |
| C58 | C60 | C63 | H23 | 65.5° | 179.2° |
| C58 | N66 | C77 | O78 | 0.0° | 2.3° |
| C58 | N66 | C77 | C67 | 178.9° | 179.8° |
| C58 | N66 | C77 | O76 | 179.5° | 178.0° |
| C58 | N66 | C67 | C70 | 169.2° | 160.6° |
| N66 | C58 | C55 | H5 | 54.2° | 62.5° |
| N66 | C58 | C55 | H6 | 65.9° | 57.6° |
| N66 | C58 | C60 | H8 | 66.6° | 62.5° |
| N66 | C58 | C60 | H9 | 53.6° | 57.5° |
| C58 | N66 | C67 | H24 | 48.5° | 79.3° |
| C58 | N66 | C67 | H25 | 70.1° | 40.5° |
| N17 | C18 | C79 | C88 | 144.8° | 145.1° |
| N17 | C18 | C79 | C80 | 32.1° | 34.7° |
| C18 | N17 | C15 | H11 | 179.1° | 180.0° |
| C18 | C79 | C88 | C80 | 176.8° | 179.7° |
| C18 | C79 | C88 | C86 | 178.3° | 179.7° |
| C18 | C79 | C80 | C82 | 178.7° | 180.0° |
| C18 | C79 | C80 | H30 | 1.3° | 0.1° |
| C18 | C79 | C88 | H34 | 1.7° | 0.0° |
| CL3 | C30 | C28 | C26 | 179.4° | 179.9° |
| CL3 | C30 | C28 | H13 | 0.6° | 0.0° |
| CL3 | C30 | C31 | H18 | 0.2° | 0.0° |
| C30 | C28 | C26 | H13 | 180.0° | 180.0° |
| C30 | C28 | C26 | H12 | 179.6° | 180.0° |
| C28 | C30 | C31 | H18 | 179.6° | 180.0° |
| O78 | C77 | N66 | O76 | 179.5° | 179.7° |
| O78 | C77 | N66 | C67 | 178.9° | 178.0° |
| O78 | C77 | O76 | C73 | 157.8° | 163.5° |
| C77 | N66 | C67 | C70 | 11.9° | 19.2° |
| N66 | C77 | O76 | C73 | 21.7° | 16.2° |
| C77 | N66 | C58 | H7 | 14.1° | 179.9° |
| C77 | N66 | C67 | H24 | 132.6° | 101.0° |
| C77 | N66 | C67 | H25 | 108.8° | 139.3° |
| C67 | N66 | C77 | O76 | 0.5° | 1.7° |
| N66 | C67 | C70 | H24 | 120.7° | 120.2° |
| N66 | C67 | C70 | H25 | 120.8° | 120.1° |
| N66 | C67 | C70 | C73 | 40.1° | 48.0° |
| C67 | N66 | C58 | H7 | 164.8° | 0.3° |
| N66 | C67 | H24 | H25 | 117.7° | 119.8° |
| N66 | C67 | C70 | H26 | 79.4° | 167.7° |
| N66 | C67 | C70 | H27 | 159.7° | 71.7° |
| C79 | C88 | C86 | H34 | 180.0° | 179.8° |
| C79 | C88 | C86 | C84 | 0.6° | 0.5° |
| C88 | C79 | C80 | C82 | 1.7° | 0.3° |
| C88 | C79 | C80 | H30 | 178.3° | 179.8° |
| C79 | C88 | C86 | H33 | 179.4° | 179.7° |
| C86 | C88 | C79 | C80 | 1.5° | 0.5° |
| C88 | C86 | C84 | H33 | 180.0° | 179.8° |
| C88 | C86 | C84 | C82 | 0.2° | 0.3° |
| C88 | C86 | C84 | H32 | 179.8° | 179.7° |
| C79 | C80 | C82 | H30 | 180.0° | 179.9° |
| C79 | C80 | C82 | C84 | 1.0° | 0.0° |
| C79 | C80 | C82 | H31 | 179.0° | 180.0° |
| C80 | C79 | C88 | H34 | 178.5° | 179.7° |
| C77 | O76 | C73 | C70 | 52.8° | 46.1° |
| C77 | O76 | C73 | H28 | 67.3° | 73.5° |
| C77 | O76 | C73 | H29 | 172.9° | 165.9° |
| C67 | C70 | C73 | O76 | 60.3° | 61.7° |
| C67 | C70 | C73 | H26 | 119.5° | 119.7° |
| C67 | C70 | C73 | H27 | 119.6° | 119.7° |
| C70 | C67 | H24 | H25 | 117.7° | 119.8° |
| C67 | C70 | H26 | H27 | 121.4° | 120.6° |
| C67 | C70 | C73 | H28 | 59.8° | 58.0° |
| C67 | C70 | C73 | H29 | 179.6° | 178.5° |
| C86 | C84 | C82 | C80 | 0.0° | 0.0° |
| C86 | C84 | C82 | H32 | 180.0° | 180.0° |
| C86 | C84 | C82 | H31 | 180.0° | 180.0° |
| C84 | C86 | C88 | H34 | 179.4° | 179.7° |
| C80 | C82 | C84 | H31 | 180.0° | 180.0° |
| C80 | C82 | C84 | H32 | 180.0° | 180.0° |
| O76 | C73 | C70 | H28 | 120.1° | 119.7° |
| O76 | C73 | C70 | H29 | 120.1° | 119.8° |
| O76 | C73 | C70 | H26 | 59.3° | 178.6° |
| O76 | C73 | C70 | H27 | 179.8° | 58.0° |
| O76 | C73 | H28 | H29 | 119.6° | 120.7° |
| C73 | C70 | C67 | H24 | 160.8° | 72.2° |
| C73 | C70 | C67 | H25 | 80.6° | 168.1° |
| C73 | C70 | H26 | H27 | 121.3° | 120.5° |
| C70 | C73 | H28 | H29 | 119.6° | 120.6° |
| C84 | C82 | C80 | H30 | 179.0° | 180.0° |
| C82 | C84 | C86 | H33 | 179.8° | 179.9° |
| H1 | C42 | C40 | H20 | 0.7° | 0.0° |
| H3 | C52 | C55 | H5 | 48.7° | 60.9° |
| H3 | C52 | C55 | H6 | 168.8° | 59.3° |
| H4 | C52 | C55 | H5 | 70.3° | 59.2° |
| H4 | C52 | C55 | H6 | 49.8° | 179.3° |
| H5 | C55 | C58 | H7 | 64.0° | 57.6° |
| H6 | C55 | C58 | H7 | 176.0° | 177.7° |
| H7 | C58 | C60 | H8 | 172.6° | 57.7° |
| H7 | C58 | C60 | H9 | 67.2° | 177.7° |
| H8 | C60 | C63 | H22 | 55.0° | 59.1° |
| H8 | C60 | C63 | H23 | 174.6° | 60.9° |
| H9 | C60 | C63 | H22 | 65.2° | 179.2° |
| H9 | C60 | C63 | H23 | 54.4° | 59.1° |
| H10 | C12 | C90 | H35 | 63.6° | 180.0° |
| H10 | C12 | C90 | H36 | 176.4° | 60.0° |
| H10 | C12 | C90 | H37 | 56.4° | 59.9° |
| H12 | C26 | C28 | H13 | 0.4° | 0.0° |
| H14 | C4 | C6 | H15 | 0.5° | 0.1° |
| H24 | C67 | C70 | H26 | 41.3° | 47.5° |
| H24 | C67 | C70 | H27 | 79.6° | 168.1° |
| H25 | C67 | C70 | H26 | 159.8° | 72.2° |
| H25 | C67 | C70 | H27 | 38.9° | 48.4° |
| H26 | C70 | C73 | H28 | 179.4° | 61.8° |
| H26 | C70 | C73 | H29 | 60.9° | 58.8° |
| H27 | C70 | C73 | H28 | 59.7° | 177.7° |
| H27 | C70 | C73 | H29 | 60.0° | 61.8° |
| H30 | C80 | C82 | H31 | 1.0° | 0.0° |
| H31 | C82 | C84 | H32 | 0.1° | 0.0° |
| H32 | C84 | C86 | H33 | 0.2° | 0.1° |
| H33 | C86 | C88 | H34 | 0.6° | 0.1° |
| H35 | C90 | H36 | H37 | 120.0° | 120.0° |
