B8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| CL24 | C1 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.34Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | N13 | sing | 1.47Å | 1.43Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.37Å | |
| C3 | N15 | sing | 1.39Å | 1.41Å | |
| C14 | N15 | sing | 1.35Å | 1.38Å | |
| C14 | O58 | doub | 1.22Å | 1.22Å | |
| N15 | C20 | sing | 1.47Å | 1.54Å | |
| C20 | C26 | sing | 1.53Å | 1.52Å | |
| C20 | C30 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | N28 | sing | 1.47Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | N28 | sing | 1.47Å | 1.45Å | |
| N28 | C37 | sing | 1.47Å | 1.47Å | |
| C37 | C39 | sing | 1.53Å | 1.52Å | |
| F96 | C87 | sing | 1.35Å | 1.36Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C88 | C87 | doub | 1.39Å | 1.37Å | Aromatic |
| C88 | C89 | sing | 1.38Å | 1.38Å | Aromatic |
| C87 | C86 | sing | 1.39Å | 1.37Å | Aromatic |
| C41 | N43 | sing | 1.47Å | 1.48Å | |
| C86 | C85 | doub | 1.38Å | 1.38Å | Aromatic |
| C89 | C83 | doub | 1.40Å | 1.39Å | Aromatic |
| N43 | C45 | sing | 1.35Å | 1.39Å | |
| N43 | C49 | sing | 1.36Å | 1.37Å | |
| O56 | C45 | doub | 1.22Å | 1.22Å | |
| C45 | C46 | sing | 1.47Å | 1.45Å | |
| C49 | C48 | doub | 1.35Å | 1.35Å | |
| C85 | C83 | sing | 1.40Å | 1.39Å | Aromatic |
| C83 | C79 | sing | 1.48Å | 1.49Å | |
| C48 | N47 | sing | 1.33Å | 1.38Å | |
| C46 | N47 | doub | 1.32Å | 1.36Å | |
| C46 | C60 | sing | 1.48Å | 1.47Å | |
| C60 | C62 | doub | 1.39Å | 1.39Å | Aromatic |
| C60 | C66 | sing | 1.40Å | 1.38Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.38Å | Aromatic |
| C79 | N77 | sing | 1.35Å | 1.34Å | |
| C79 | O81 | doub | 1.22Å | 1.23Å | |
| N77 | C75 | sing | 1.47Å | 1.46Å | |
| C66 | C65 | doub | 1.38Å | 1.39Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C65 | C64 | sing | 1.39Å | 1.40Å | Aromatic |
| C65 | C75 | sing | 1.51Å | 1.50Å | |
| C64 | CL73 | sing | 1.74Å | 1.75Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.09Å | 1.10Å | |
| C48 | H21 | sing | 1.08Å | 1.08Å | |
| C49 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C62 | H26 | sing | 1.08Å | 1.08Å | |
| C63 | H27 | sing | 1.08Å | 1.08Å | |
| C66 | H28 | sing | 1.08Å | 1.08Å | |
| C75 | H29 | sing | 1.09Å | 1.10Å | |
| C75 | H30 | sing | 1.09Å | 1.10Å | |
| C85 | H31 | sing | 1.08Å | 1.08Å | |
| C86 | H32 | sing | 1.08Å | 1.08Å | |
| C88 | H33 | sing | 1.08Å | 1.08Å | |
| C89 | H34 | sing | 1.08Å | 1.08Å | |
| N77 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 120.1° | 120.3° |
| C6 | C5 | C4 | 118.5° | 119.9° |
| C6 | C5 | H24 | 120.8° | 120.1° |
| C5 | C6 | H25 | 120.0° | 119.9° |
| C6 | C1 | CL24 | 117.8° | 119.9° |
| C6 | C1 | C2 | 122.5° | 120.2° |
| C1 | C6 | H25 | 120.0° | 119.9° |
| CL24 | C1 | C2 | 119.7° | 119.9° |
| C5 | C4 | N13 | 129.8° | 133.3° |
| C5 | C4 | C3 | 121.9° | 119.9° |
| C4 | C5 | H24 | 120.7° | 120.1° |
| C1 | C2 | C3 | 116.3° | 119.8° |
| C1 | C2 | H7 | 121.8° | 120.1° |
| N13 | C4 | C3 | 108.3° | 106.8° |
| C4 | N13 | C22 | 125.1° | 125.8° |
| C4 | N13 | C14 | 110.6° | 108.4° |
| C4 | C3 | C2 | 120.7° | 119.9° |
| C4 | C3 | N15 | 106.3° | 106.8° |
| C22 | N13 | C14 | 124.4° | 125.8° |
| N13 | C22 | H9 | 109.5° | 109.5° |
| N13 | C22 | H10 | 109.5° | 109.5° |
| N13 | C22 | H11 | 109.4° | 109.4° |
| C2 | C3 | N15 | 133.0° | 133.3° |
| C3 | C2 | H7 | 121.9° | 120.1° |
| N13 | C14 | N15 | 106.8° | 109.6° |
| N13 | C14 | O58 | 126.3° | 125.2° |
| C3 | N15 | C14 | 108.1° | 108.4° |
| C3 | N15 | C20 | 132.7° | 125.8° |
| N15 | C14 | O58 | 126.8° | 125.2° |
| C14 | N15 | C20 | 119.3° | 125.8° |
| N15 | C20 | C26 | 115.8° | 109.6° |
| N15 | C20 | C30 | 117.9° | 109.5° |
| N15 | C20 | H8 | 101.0° | 109.6° |
| C26 | C20 | C30 | 115.5° | 109.1° |
| C20 | C26 | C27 | 111.6° | 109.3° |
| C20 | C26 | H1 | 108.9° | 109.5° |
| C20 | C26 | H2 | 109.0° | 109.5° |
| C26 | C20 | H8 | 101.2° | 109.5° |
| C20 | C30 | C29 | 111.7° | 109.2° |
| C20 | C30 | H5 | 108.9° | 109.4° |
| C20 | C30 | H6 | 108.9° | 109.5° |
| C30 | C20 | H8 | 101.0° | 109.5° |
| C26 | C27 | N28 | 111.7° | 109.5° |
| C27 | C26 | H1 | 108.9° | 109.5° |
| C27 | C26 | H2 | 108.9° | 109.5° |
| C26 | C27 | H12 | 108.9° | 109.4° |
| C26 | C27 | H13 | 108.9° | 109.5° |
| C27 | N28 | C29 | 108.8° | 111.2° |
| C27 | N28 | C37 | 114.1° | 111.0° |
| N28 | C27 | H12 | 108.9° | 109.5° |
| N28 | C27 | H13 | 108.9° | 109.5° |
| C30 | C29 | N28 | 111.9° | 109.5° |
| C30 | C29 | H3 | 108.9° | 109.5° |
| C30 | C29 | H4 | 108.9° | 109.4° |
| C29 | C30 | H5 | 108.9° | 109.6° |
| C29 | C30 | H6 | 108.9° | 109.5° |
| C29 | N28 | C37 | 113.3° | 111.0° |
| N28 | C29 | H3 | 108.9° | 109.4° |
| N28 | C29 | H4 | 108.8° | 109.5° |
| N28 | C37 | C39 | 112.4° | 109.4° |
| N28 | C37 | H14 | 108.7° | 109.4° |
| N28 | C37 | H15 | 108.7° | 109.5° |
| C37 | C39 | C41 | 116.4° | 109.4° |
| C39 | C37 | H14 | 108.7° | 109.5° |
| C39 | C37 | H15 | 108.8° | 109.5° |
| C37 | C39 | H16 | 107.7° | 109.5° |
| C37 | C39 | H17 | 107.7° | 109.5° |
| F96 | C87 | C88 | 118.3° | 119.8° |
| F96 | C87 | C86 | 118.7° | 119.9° |
| C39 | C41 | N43 | 112.0° | 109.5° |
| C41 | C39 | H16 | 107.7° | 109.5° |
| C41 | C39 | H17 | 107.7° | 109.4° |
| C39 | C41 | H18 | 108.8° | 109.5° |
| C39 | C41 | H19 | 108.8° | 109.5° |
| C87 | C88 | C89 | 118.4° | 120.1° |
| C88 | C87 | C86 | 123.0° | 120.3° |
| C87 | C88 | H33 | 120.8° | 120.0° |
| C88 | C89 | C83 | 120.7° | 119.9° |
| C89 | C88 | H33 | 120.8° | 119.9° |
| C88 | C89 | H34 | 119.6° | 120.0° |
| C87 | C86 | C85 | 118.3° | 120.1° |
| C87 | C86 | H32 | 120.9° | 119.9° |
| C41 | N43 | C45 | 117.4° | 120.4° |
| C41 | N43 | C49 | 120.4° | 120.4° |
| N43 | C41 | H18 | 108.9° | 109.4° |
| N43 | C41 | H19 | 108.9° | 109.4° |
| C86 | C85 | C83 | 120.8° | 119.9° |
| C86 | C85 | H31 | 119.6° | 120.1° |
| C85 | C86 | H32 | 120.9° | 120.0° |
| C89 | C83 | C85 | 118.8° | 119.8° |
| C89 | C83 | C79 | 119.7° | 120.1° |
| C83 | C89 | H34 | 119.6° | 120.1° |
| C45 | N43 | C49 | 122.2° | 119.2° |
| N43 | C45 | O56 | 121.6° | 120.8° |
| N43 | C45 | C46 | 114.3° | 118.4° |
| N43 | C49 | C48 | 120.1° | 120.9° |
| N43 | C49 | H22 | 119.9° | 119.5° |
| O56 | C45 | C46 | 124.2° | 120.8° |
| C45 | C46 | N47 | 124.2° | 119.1° |
| C45 | C46 | C60 | 119.4° | 120.4° |
| C49 | C48 | N47 | 122.9° | 121.8° |
| C49 | C48 | H21 | 118.5° | 119.1° |
| C48 | C49 | H22 | 119.9° | 119.5° |
| C85 | C83 | C79 | 121.4° | 120.1° |
| C83 | C85 | H31 | 119.6° | 120.1° |
| C83 | C79 | N77 | 116.7° | 120.0° |
| C83 | C79 | O81 | 120.6° | 120.0° |
| C48 | N47 | C46 | 116.3° | 120.7° |
| N47 | C48 | H21 | 118.5° | 119.1° |
| N47 | C46 | C60 | 116.4° | 120.5° |
| C46 | C60 | C62 | 121.5° | 120.1° |
| C46 | C60 | C66 | 119.1° | 120.1° |
| C62 | C60 | C66 | 119.5° | 119.8° |
| C60 | C62 | C63 | 120.3° | 119.8° |
| C60 | C62 | H26 | 119.8° | 120.1° |
| C60 | C66 | C65 | 121.7° | 119.8° |
| C60 | C66 | H28 | 119.1° | 120.1° |
| C62 | C63 | C64 | 119.6° | 120.2° |
| C63 | C62 | H26 | 119.9° | 120.1° |
| C62 | C63 | H27 | 120.2° | 119.9° |
| N77 | C79 | O81 | 122.7° | 120.0° |
| C79 | N77 | C75 | 123.0° | 120.0° |
| C79 | N77 | H36 | 118.5° | 120.0° |
| N77 | C75 | C65 | 109.9° | 109.4° |
| N77 | C75 | H29 | 109.4° | 109.5° |
| N77 | C75 | H30 | 109.3° | 109.5° |
| C75 | N77 | H36 | 118.4° | 120.0° |
| C66 | C65 | C64 | 117.2° | 120.2° |
| C66 | C65 | C75 | 120.2° | 119.9° |
| C65 | C66 | H28 | 119.1° | 120.1° |
| C63 | C64 | C65 | 121.7° | 120.2° |
| C63 | C64 | CL73 | 117.7° | 119.9° |
| C64 | C63 | H27 | 120.2° | 119.9° |
| C64 | C65 | C75 | 122.5° | 119.9° |
| C65 | C64 | CL73 | 120.7° | 119.9° |
| C65 | C75 | H29 | 109.3° | 109.4° |
| C65 | C75 | H30 | 109.4° | 109.5° |
| H1 | C26 | H2 | 109.5° | 109.5° |
| H3 | C29 | H4 | 109.5° | 109.5° |
| H5 | C30 | H6 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C37 | H15 | 109.5° | 109.5° |
| H16 | C39 | H17 | 109.5° | 109.5° |
| H18 | C41 | H19 | 109.5° | 109.5° |
| H29 | C75 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | H25 | 180.0° | 179.8° |
| C5 | C6 | C1 | CL24 | 179.7° | 179.7° |
| C6 | C5 | C4 | H24 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | N13 | 179.9° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C1 | CL24 | C2 | 179.8° | 179.6° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | H7 | 180.0° | 180.0° |
| C1 | C6 | C5 | H24 | 179.8° | 179.9° |
| CL24 | C1 | C2 | C3 | 179.8° | 179.7° |
| CL24 | C1 | C2 | H7 | 0.2° | 0.3° |
| CL24 | C1 | C6 | H25 | 0.3° | 0.4° |
| C5 | C4 | N13 | C3 | 179.7° | 180.0° |
| C5 | C4 | N13 | C22 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | N13 | C14 | 179.6° | 180.0° |
| C5 | C4 | C3 | N15 | 179.5° | 180.0° |
| C4 | C5 | C6 | H25 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H7 | 180.0° | 179.9° |
| C1 | C2 | C3 | N15 | 179.5° | 180.0° |
| C2 | C1 | C6 | H25 | 179.9° | 180.0° |
| C4 | N13 | C22 | C14 | 179.6° | 180.0° |
| N13 | C4 | C3 | C2 | 179.9° | 179.9° |
| N13 | C4 | C3 | N15 | 0.2° | 0.0° |
| C4 | N13 | C14 | N15 | 0.0° | 0.0° |
| C4 | N13 | C14 | O58 | 180.0° | 180.0° |
| C4 | N13 | C22 | H9 | 180.0° | 90.0° |
| C4 | N13 | C22 | H10 | 60.0° | 150.0° |
| C4 | N13 | C22 | H11 | 60.0° | 30.0° |
| N13 | C4 | C5 | H24 | 0.1° | 0.1° |
| C3 | C4 | N13 | C22 | 179.7° | 180.0° |
| C4 | C3 | C2 | N15 | 179.5° | 179.9° |
| C3 | C4 | N13 | C14 | 0.1° | 0.0° |
| C4 | C3 | N15 | C14 | 0.3° | 0.0° |
| C4 | C3 | N15 | C20 | 179.1° | 180.0° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H24 | 179.8° | 179.9° |
| C22 | N13 | C14 | N15 | 179.6° | 180.0° |
| C22 | N13 | C14 | O58 | 0.4° | 0.0° |
| N13 | C22 | H9 | H10 | 120.0° | 120.0° |
| N13 | C22 | H9 | H11 | 120.0° | 120.0° |
| N13 | C22 | H10 | H11 | 120.0° | 120.0° |
| C2 | C3 | N15 | C14 | 179.8° | 179.9° |
| C2 | C3 | N15 | C20 | 1.3° | 0.1° |
| N13 | C14 | N15 | C3 | 0.2° | 0.0° |
| N13 | C14 | N15 | O58 | 180.0° | 180.0° |
| N13 | C14 | N15 | C20 | 179.2° | 180.0° |
| C14 | N13 | C22 | H9 | 0.4° | 90.0° |
| C14 | N13 | C22 | H10 | 120.4° | 30.0° |
| C14 | N13 | C22 | H11 | 119.6° | 150.0° |
| C3 | N15 | C14 | C20 | 179.0° | 180.0° |
| C3 | N15 | C14 | O58 | 179.8° | 180.0° |
| C3 | N15 | C20 | C26 | 56.1° | 120.0° |
| C3 | N15 | C20 | C30 | 86.7° | 120.3° |
| N15 | C3 | C2 | H7 | 0.5° | 0.1° |
| C3 | N15 | C20 | H8 | 164.4° | 0.2° |
| C14 | N15 | C20 | C26 | 122.7° | 60.0° |
| C14 | N15 | C20 | C30 | 94.6° | 59.7° |
| C14 | N15 | C20 | H8 | 14.3° | 179.8° |
| O58 | C14 | N15 | C20 | 0.8° | 0.0° |
| N15 | C20 | C26 | C30 | 143.7° | 119.9° |
| N15 | C20 | C26 | H8 | 108.2° | 120.2° |
| N15 | C20 | C30 | H8 | 108.9° | 120.2° |
| N15 | C20 | C26 | C27 | 103.7° | 177.6° |
| N15 | C20 | C30 | C29 | 104.4° | 177.6° |
| N15 | C20 | C26 | H1 | 16.6° | 57.6° |
| N15 | C20 | C26 | H2 | 136.0° | 62.4° |
| N15 | C20 | C30 | H5 | 135.2° | 57.6° |
| N15 | C20 | C30 | H6 | 15.9° | 62.5° |
| C26 | C20 | C30 | H8 | 108.2° | 119.9° |
| C20 | C26 | C27 | H1 | 120.3° | 120.0° |
| C20 | C26 | C27 | H2 | 120.3° | 119.9° |
| C20 | C26 | C27 | N28 | 53.3° | 59.2° |
| C26 | C20 | C30 | C29 | 38.5° | 57.6° |
| C20 | C26 | H1 | H2 | 119.1° | 120.0° |
| C26 | C20 | C30 | H5 | 81.9° | 62.3° |
| C26 | C20 | C30 | H6 | 158.8° | 177.6° |
| C20 | C26 | C27 | H12 | 67.0° | 179.2° |
| C20 | C26 | C27 | H13 | 173.7° | 60.8° |
| C30 | C20 | C26 | C27 | 40.0° | 57.7° |
| C20 | C30 | C29 | H5 | 120.3° | 119.9° |
| C20 | C30 | C29 | H6 | 120.4° | 120.0° |
| C20 | C30 | C29 | N28 | 50.0° | 59.2° |
| C30 | C20 | C26 | H1 | 160.3° | 62.3° |
| C30 | C20 | C26 | H2 | 80.3° | 177.6° |
| C20 | C30 | C29 | H3 | 170.4° | 60.8° |
| C20 | C30 | C29 | H4 | 70.3° | 179.2° |
| C20 | C30 | H5 | H6 | 119.0° | 120.1° |
| C26 | C27 | N28 | H12 | 120.3° | 120.0° |
| C26 | C27 | N28 | H13 | 120.3° | 120.0° |
| C26 | C27 | N28 | C29 | 65.7° | 61.8° |
| C26 | C27 | N28 | C37 | 61.9° | 174.1° |
| C27 | C26 | H1 | H2 | 119.0° | 120.1° |
| C27 | C26 | C20 | H8 | 148.1° | 62.2° |
| C26 | C27 | H12 | H13 | 119.0° | 120.0° |
| C27 | N28 | C29 | C30 | 63.9° | 61.8° |
| C27 | N28 | C29 | C37 | 128.0° | 124.0° |
| C27 | N28 | C37 | C39 | 163.8° | 65.8° |
| N28 | C27 | C26 | H1 | 173.6° | 60.7° |
| N28 | C27 | C26 | H2 | 67.0° | 179.1° |
| C27 | N28 | C29 | H3 | 175.7° | 58.2° |
| C27 | N28 | C29 | H4 | 56.4° | 178.2° |
| N28 | C27 | H12 | H13 | 119.0° | 120.0° |
| C27 | N28 | C37 | H14 | 43.4° | 174.2° |
| C27 | N28 | C37 | H15 | 75.7° | 54.2° |
| C30 | C29 | N28 | H3 | 120.4° | 120.0° |
| C30 | C29 | N28 | H4 | 120.4° | 120.0° |
| C30 | C29 | N28 | C37 | 64.1° | 174.2° |
| C30 | C29 | H3 | H4 | 118.9° | 120.0° |
| C29 | C30 | H5 | H6 | 119.0° | 120.2° |
| C29 | C30 | C20 | H8 | 146.7° | 62.3° |
| C29 | N28 | C37 | C39 | 70.9° | 170.0° |
| N28 | C29 | H3 | H4 | 118.9° | 120.0° |
| N28 | C29 | C30 | H5 | 70.3° | 60.7° |
| N28 | C29 | C30 | H6 | 170.4° | 179.1° |
| C29 | N28 | C27 | H12 | 54.6° | 178.2° |
| C29 | N28 | C27 | H13 | 173.9° | 58.2° |
| C29 | N28 | C37 | H14 | 168.7° | 50.0° |
| C29 | N28 | C37 | H15 | 49.5° | 70.0° |
| N28 | C37 | C39 | H14 | 120.4° | 119.9° |
| N28 | C37 | C39 | H15 | 120.5° | 120.0° |
| N28 | C37 | C39 | C41 | 142.7° | 180.0° |
| C37 | N28 | C29 | H3 | 56.3° | 65.8° |
| C37 | N28 | C29 | H4 | 175.6° | 54.2° |
| C37 | N28 | C27 | H12 | 177.8° | 54.2° |
| C37 | N28 | C27 | H13 | 58.5° | 65.9° |
| N28 | C37 | H14 | H15 | 118.7° | 120.0° |
| N28 | C37 | C39 | H16 | 96.3° | 60.0° |
| N28 | C37 | C39 | H17 | 21.8° | 60.1° |
| C37 | C39 | C41 | H16 | 121.0° | 120.0° |
| C37 | C39 | C41 | H17 | 121.0° | 120.0° |
| C37 | C39 | C41 | N43 | 85.6° | 180.0° |
| C39 | C37 | H14 | H15 | 118.7° | 120.1° |
| C37 | C39 | H16 | H17 | 116.9° | 120.1° |
| C37 | C39 | C41 | H18 | 154.0° | 60.0° |
| C37 | C39 | C41 | H19 | 34.8° | 60.0° |
| F96 | C87 | C88 | C86 | 179.9° | 180.0° |
| F96 | C87 | C88 | C89 | 179.6° | 179.7° |
| F96 | C87 | C86 | C85 | 179.9° | 180.0° |
| F96 | C87 | C86 | H32 | 0.1° | 0.0° |
| F96 | C87 | C88 | H33 | 0.4° | 0.1° |
| C39 | C41 | N43 | H18 | 120.4° | 120.0° |
| C39 | C41 | N43 | H19 | 120.4° | 120.0° |
| C39 | C41 | N43 | C45 | 112.0° | 90.0° |
| C39 | C41 | N43 | C49 | 67.6° | 90.0° |
| C41 | C39 | C37 | H14 | 22.3° | 60.1° |
| C41 | C39 | C37 | H15 | 96.8° | 60.0° |
| C41 | C39 | H16 | H17 | 116.8° | 119.9° |
| C39 | C41 | H18 | H19 | 118.8° | 120.0° |
| C87 | C88 | C89 | H33 | 180.0° | 179.6° |
| C88 | C87 | C86 | C85 | 0.0° | 0.0° |
| C87 | C88 | C89 | C83 | 0.3° | 0.6° |
| C88 | C87 | C86 | H32 | 180.0° | 180.0° |
| C87 | C88 | C89 | H34 | 179.7° | 180.0° |
| C89 | C88 | C87 | C86 | 0.3° | 0.3° |
| C88 | C89 | C83 | H34 | 180.0° | 179.4° |
| C88 | C89 | C83 | C85 | 0.2° | 0.6° |
| C88 | C89 | C83 | C79 | 179.6° | 179.7° |
| C87 | C86 | C85 | H32 | 180.0° | 180.0° |
| C87 | C86 | C85 | C83 | 0.2° | 0.0° |
| C87 | C86 | C85 | H31 | 179.8° | 180.0° |
| C86 | C87 | C88 | H33 | 179.8° | 180.0° |
| C41 | N43 | C45 | C49 | 179.6° | 180.0° |
| C41 | N43 | C45 | O56 | 0.5° | 0.2° |
| C41 | N43 | C45 | C46 | 179.8° | 180.0° |
| C41 | N43 | C49 | C48 | 179.7° | 179.9° |
| N43 | C41 | C39 | H16 | 35.4° | 60.0° |
| N43 | C41 | C39 | H17 | 153.4° | 60.0° |
| N43 | C41 | H18 | H19 | 118.9° | 119.9° |
| C41 | N43 | C49 | H22 | 0.3° | 0.0° |
| C86 | C85 | C83 | C89 | 0.1° | 0.3° |
| C86 | C85 | C83 | H31 | 180.0° | 180.0° |
| C86 | C85 | C83 | C79 | 179.9° | 179.9° |
| C89 | C83 | C85 | C79 | 179.8° | 179.7° |
| C89 | C83 | C79 | N77 | 29.7° | 0.3° |
| C89 | C83 | C79 | O81 | 150.3° | 179.7° |
| C89 | C83 | C85 | H31 | 179.9° | 179.7° |
| C83 | C89 | C88 | H33 | 179.7° | 179.8° |
| N43 | C45 | O56 | C46 | 179.7° | 179.8° |
| C45 | N43 | C49 | C48 | 0.1° | 0.1° |
| N43 | C45 | C46 | N47 | 0.4° | 0.0° |
| N43 | C45 | C46 | C60 | 179.2° | 180.0° |
| C45 | N43 | C41 | H18 | 127.6° | 30.0° |
| C45 | N43 | C41 | H19 | 8.3° | 150.0° |
| C45 | N43 | C49 | H22 | 179.9° | 180.0° |
| C49 | N43 | C45 | O56 | 179.9° | 179.8° |
| C49 | N43 | C45 | C46 | 0.2° | 0.0° |
| N43 | C49 | C48 | H22 | 180.0° | 179.9° |
| N43 | C49 | C48 | N47 | 0.2° | 0.1° |
| C49 | N43 | C41 | H18 | 52.8° | 150.0° |
| C49 | N43 | C41 | H19 | 172.1° | 30.0° |
| N43 | C49 | C48 | H21 | 179.8° | 180.0° |
| O56 | C45 | C46 | N47 | 179.9° | 179.7° |
| O56 | C45 | C46 | C60 | 1.1° | 0.3° |
| C45 | C46 | N47 | C48 | 0.5° | 0.0° |
| C45 | C46 | N47 | C60 | 178.8° | 180.0° |
| C45 | C46 | C60 | C62 | 34.7° | 28.4° |
| C45 | C46 | C60 | C66 | 143.7° | 151.3° |
| C49 | C48 | N47 | H21 | 180.0° | 179.9° |
| C49 | C48 | N47 | C46 | 0.4° | 0.1° |
| C85 | C83 | C79 | N77 | 150.5° | 180.0° |
| C85 | C83 | C79 | O81 | 29.5° | 0.1° |
| C83 | C85 | C86 | H32 | 179.8° | 180.0° |
| C85 | C83 | C89 | H34 | 179.8° | 180.0° |
| C83 | C79 | N77 | O81 | 180.0° | 179.9° |
| C83 | C79 | N77 | C75 | 179.9° | 180.0° |
| C79 | C83 | C85 | H31 | 0.1° | 0.1° |
| C79 | C83 | C89 | H34 | 0.4° | 0.3° |
| C83 | C79 | N77 | H36 | 0.1° | 0.0° |
| C48 | N47 | C46 | C60 | 179.3° | 180.0° |
| N47 | C48 | C49 | H22 | 179.8° | 180.0° |
| N47 | C46 | C60 | C62 | 146.4° | 151.6° |
| N47 | C46 | C60 | C66 | 35.2° | 28.7° |
| C46 | N47 | C48 | H21 | 179.6° | 180.0° |
| C46 | C60 | C62 | C66 | 178.4° | 179.7° |
| C46 | C60 | C62 | C63 | 179.1° | 180.0° |
| C46 | C60 | C66 | C65 | 179.4° | 179.8° |
| C46 | C60 | C62 | H26 | 0.9° | 0.0° |
| C46 | C60 | C66 | H28 | 0.6° | 0.0° |
| C60 | C62 | C63 | H26 | 180.0° | 180.0° |
| C62 | C60 | C66 | C65 | 1.0° | 0.5° |
| C60 | C62 | C63 | C64 | 0.3° | 0.0° |
| C60 | C62 | C63 | H27 | 179.7° | 180.0° |
| C62 | C60 | C66 | H28 | 179.0° | 179.8° |
| C66 | C60 | C62 | C63 | 0.8° | 0.3° |
| C60 | C66 | C65 | H28 | 180.0° | 179.7° |
| C60 | C66 | C65 | C64 | 0.7° | 0.5° |
| C60 | C66 | C65 | C75 | 179.9° | 179.7° |
| C66 | C60 | C62 | H26 | 179.2° | 179.7° |
| C62 | C63 | C64 | H27 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.0° | 0.0° |
| C62 | C63 | C64 | CL73 | 179.7° | 180.0° |
| C79 | N77 | C75 | H36 | 180.0° | 180.0° |
| C79 | N77 | C75 | C65 | 137.6° | 180.0° |
| C79 | N77 | C75 | H29 | 102.3° | 60.1° |
| C79 | N77 | C75 | H30 | 17.6° | 60.0° |
| O81 | C79 | N77 | C75 | 0.1° | 0.1° |
| O81 | C79 | N77 | H36 | 179.8° | 180.0° |
| N77 | C75 | C65 | C66 | 71.5° | 105.3° |
| N77 | C75 | C65 | C64 | 107.9° | 74.9° |
| N77 | C75 | C65 | H29 | 120.1° | 119.9° |
| N77 | C75 | C65 | H30 | 120.1° | 120.1° |
| N77 | C75 | H29 | H30 | 119.8° | 120.1° |
| C66 | C65 | C64 | C63 | 0.2° | 0.3° |
| C66 | C65 | C64 | C75 | 179.4° | 179.8° |
| C66 | C65 | C64 | CL73 | 179.9° | 179.7° |
| C66 | C65 | C75 | H29 | 168.5° | 134.8° |
| C66 | C65 | C75 | H30 | 48.6° | 14.8° |
| C63 | C64 | C65 | CL73 | 179.6° | 180.0° |
| C63 | C64 | C65 | C75 | 179.6° | 179.9° |
| C64 | C63 | C62 | H26 | 179.7° | 180.0° |
| C65 | C64 | C63 | H27 | 180.0° | 180.0° |
| C64 | C65 | C66 | H28 | 179.3° | 179.7° |
| C64 | C65 | C75 | H29 | 12.2° | 45.0° |
| C64 | C65 | C75 | H30 | 132.1° | 165.0° |
| C75 | C65 | C64 | CL73 | 0.8° | 0.0° |
| C75 | C65 | C66 | H28 | 0.1° | 0.0° |
| C65 | C75 | H29 | H30 | 119.8° | 120.0° |
| C65 | C75 | N77 | H36 | 42.3° | 0.0° |
| CL73 | C64 | C63 | H27 | 0.3° | 0.0° |
| H1 | C26 | C20 | H8 | 91.6° | 177.8° |
| H1 | C26 | C27 | H12 | 53.3° | 59.3° |
| H1 | C26 | C27 | H13 | 66.0° | 179.3° |
| H2 | C26 | C20 | H8 | 27.8° | 57.8° |
| H2 | C26 | C27 | H12 | 172.6° | 60.9° |
| H2 | C26 | C27 | H13 | 53.3° | 59.1° |
| H3 | C29 | C30 | H5 | 50.1° | 179.3° |
| H3 | C29 | C30 | H6 | 69.3° | 59.2° |
| H4 | C29 | C30 | H5 | 169.4° | 59.3° |
| H4 | C29 | C30 | H6 | 50.0° | 60.9° |
| H5 | C30 | C20 | H8 | 26.3° | 177.8° |
| H6 | C30 | C20 | H8 | 93.0° | 57.7° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H14 | C37 | C39 | H16 | 143.3° | 59.9° |
| H14 | C37 | C39 | H17 | 98.7° | 180.0° |
| H15 | C37 | C39 | H16 | 24.2° | 180.0° |
| H15 | C37 | C39 | H17 | 142.2° | 59.9° |
| H16 | C39 | C41 | H18 | 85.0° | 180.0° |
| H16 | C39 | C41 | H19 | 155.8° | 60.0° |
| H17 | C39 | C41 | H18 | 33.0° | 60.0° |
| H17 | C39 | C41 | H19 | 86.3° | 180.0° |
| H21 | C48 | C49 | H22 | 0.2° | 0.1° |
| H24 | C5 | C6 | H25 | 0.3° | 0.0° |
| H26 | C62 | C63 | H27 | 0.3° | 0.0° |
| H29 | C75 | N77 | H36 | 77.7° | 119.9° |
| H30 | C75 | N77 | H36 | 162.4° | 120.0° |
| H31 | C85 | C86 | H32 | 0.2° | 0.0° |
| H33 | C88 | C89 | H34 | 0.3° | 0.3° |
