A1AAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F39 | C32 | sing | 1.35Å | 1.36Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| CL75 | C72 | sing | 1.74Å | 1.78Å | |
| F41 | C34 | sing | 1.35Å | 1.36Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| O93 | S89 | doub | 1.42Å | 1.66Å | |
| C4 | C12 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.54Å | 1.56Å | |
| C4 | C9 | sing | 1.54Å | 1.55Å | |
| C12 | C3 | sing | 1.53Å | 1.55Å | |
| F10 | C9 | sing | 1.40Å | 1.35Å | |
| C72 | C73 | doub | 1.38Å | 1.39Å | Aromatic |
| C72 | C71 | sing | 1.40Å | 1.40Å | Aromatic |
| C73 | C74 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| N83 | S89 | sing | 1.66Å | 1.72Å | |
| N83 | C76 | sing | 1.40Å | 1.43Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C9 | F11 | sing | 1.40Å | 1.36Å | |
| C9 | C1 | sing | 1.51Å | 1.53Å | |
| S89 | C90 | sing | 1.81Å | 1.81Å | |
| S89 | O94 | doub | 1.42Å | 1.66Å | |
| C71 | C76 | sing | 1.46Å | 1.39Å | Aromatic |
| C71 | C70 | doub | 1.41Å | 1.40Å | Aromatic |
| C74 | C69 | doub | 1.39Å | 1.40Å | Aromatic |
| C90 | C91 | sing | 1.53Å | 1.56Å | |
| C90 | C92 | sing | 1.53Å | 1.56Å | |
| C76 | N78 | doub | 1.31Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C91 | C92 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | doub | 1.35Å | 1.36Å | Aromatic |
| C2 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | N6 | sing | 1.35Å | 1.37Å | Aromatic |
| O26 | C25 | doub | 1.21Å | 1.19Å | |
| C70 | C69 | sing | 1.40Å | 1.41Å | Aromatic |
| C70 | N77 | sing | 1.37Å | 1.38Å | Aromatic |
| C69 | C47 | sing | 1.48Å | 1.54Å | |
| C28 | N23 | sing | 1.46Å | 1.43Å | |
| C28 | C43 | sing | 1.51Å | 1.54Å | |
| F21 | C15 | sing | 1.40Å | 1.36Å | |
| N78 | N77 | sing | 1.40Å | 1.24Å | Aromatic |
| C25 | N23 | sing | 1.35Å | 1.43Å | |
| C25 | C8 | sing | 1.51Å | 1.40Å | |
| C5 | C15 | sing | 1.51Å | 1.53Å | |
| C5 | N7 | doub | 1.31Å | 1.38Å | Aromatic |
| N77 | C79 | sing | 1.46Å | 1.43Å | |
| N6 | C8 | sing | 1.46Å | 1.37Å | |
| N6 | N7 | sing | 1.40Å | 1.25Å | Aromatic |
| C47 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
| C47 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | F22 | sing | 1.40Å | 1.36Å | |
| C43 | N48 | sing | 1.32Å | 1.37Å | Aromatic |
| C79 | C80 | sing | 1.53Å | 1.54Å | |
| C46 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| N48 | C44 | doub | 1.33Å | 1.37Å | Aromatic |
| F81 | C80 | sing | 1.40Å | 1.36Å | |
| C45 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C80 | F82 | sing | 1.40Å | 1.36Å | |
| C44 | C49 | sing | 1.43Å | 1.54Å | |
| C49 | C50 | trip | 1.17Å | 1.20Å | |
| O59 | S56 | doub | 1.42Å | 1.66Å | |
| C50 | C53 | sing | 1.47Å | 1.54Å | |
| O58 | S56 | doub | 1.42Å | 1.66Å | |
| S56 | C53 | sing | 1.81Å | 1.81Å | |
| S56 | C57 | sing | 1.81Å | 1.81Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.08Å | 1.08Å | |
| C35 | H13 | sing | 1.08Å | 1.08Å | |
| C45 | H14 | sing | 1.08Å | 1.08Å | |
| C46 | H15 | sing | 1.08Å | 1.08Å | |
| C54 | H16 | sing | 1.09Å | 1.10Å | |
| C54 | H17 | sing | 1.09Å | 1.10Å | |
| C54 | H18 | sing | 1.09Å | 1.10Å | |
| C55 | H19 | sing | 1.09Å | 1.10Å | |
| C55 | H20 | sing | 1.09Å | 1.10Å | |
| C55 | H21 | sing | 1.09Å | 1.10Å | |
| C57 | H22 | sing | 1.09Å | 1.10Å | |
| C57 | H23 | sing | 1.09Å | 1.10Å | |
| C57 | H24 | sing | 1.09Å | 1.10Å | |
| C73 | H25 | sing | 1.08Å | 1.08Å | |
| C74 | H26 | sing | 1.08Å | 1.08Å | |
| C79 | H27 | sing | 1.09Å | 1.10Å | |
| C79 | H28 | sing | 1.09Å | 1.10Å | |
| C80 | H29 | sing | 1.09Å | 1.10Å | |
| C90 | H30 | sing | 1.09Å | 1.10Å | |
| C91 | H31 | sing | 1.09Å | 1.10Å | |
| C91 | H32 | sing | 1.09Å | 1.10Å | |
| C92 | H33 | sing | 1.09Å | 1.10Å | |
| C92 | H34 | sing | 1.09Å | 1.10Å | |
| N23 | H35 | sing | 0.97Å | 1.00Å | |
| N83 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F39 | C32 | C33 | 119.9° | 120.0° |
| F39 | C32 | C31 | 119.8° | 120.0° |
| C32 | C33 | C34 | 119.7° | 119.9° |
| C33 | C32 | C31 | 120.3° | 120.0° |
| C32 | C33 | H12 | 120.2° | 120.0° |
| C33 | C34 | F41 | 120.3° | 120.0° |
| C33 | C34 | C35 | 120.3° | 120.0° |
| C34 | C33 | H12 | 120.2° | 120.1° |
| C32 | C31 | C30 | 119.7° | 120.0° |
| C32 | C31 | H11 | 120.2° | 120.0° |
| CL75 | C72 | C73 | 119.6° | 120.0° |
| CL75 | C72 | C71 | 120.6° | 120.0° |
| F41 | C34 | C35 | 119.3° | 120.0° |
| C34 | C35 | C30 | 119.8° | 120.1° |
| C34 | C35 | H13 | 120.1° | 120.0° |
| C31 | C30 | C35 | 120.3° | 120.0° |
| C31 | C30 | C29 | 120.1° | 120.0° |
| C30 | C31 | H11 | 120.2° | 120.0° |
| O93 | S89 | N83 | 110.0° | 104.3° |
| O93 | S89 | C90 | 109.1° | 110.5° |
| O93 | S89 | O94 | 109.2° | 121.0° |
| C12 | C4 | C3 | 59.7° | 59.8° |
| C12 | C4 | C9 | 143.3° | 118.5° |
| C4 | C12 | C3 | 60.6° | 60.3° |
| C12 | C4 | H3 | 108.4° | 119.5° |
| C4 | C12 | H4 | 119.9° | 117.5° |
| C4 | C12 | H5 | 119.9° | 117.5° |
| C3 | C4 | C9 | 108.2° | 104.5° |
| C4 | C3 | C12 | 59.7° | 59.9° |
| C4 | C3 | C2 | 102.9° | 106.7° |
| C3 | C4 | H3 | 108.2° | 121.9° |
| C4 | C3 | H10 | 110.5° | 120.8° |
| C4 | C9 | F10 | 109.3° | 110.0° |
| C4 | C9 | F11 | 112.0° | 110.0° |
| C4 | C9 | C1 | 104.2° | 106.7° |
| C9 | C4 | H3 | 108.3° | 118.1° |
| C12 | C3 | C2 | 138.4° | 119.0° |
| C3 | C12 | H4 | 119.9° | 117.5° |
| C3 | C12 | H5 | 119.9° | 117.5° |
| C12 | C3 | H10 | 110.7° | 119.0° |
| F10 | C9 | F11 | 111.3° | 110.0° |
| F10 | C9 | C1 | 109.0° | 110.0° |
| C73 | C72 | C71 | 119.7° | 119.9° |
| C72 | C73 | C74 | 119.3° | 120.6° |
| C72 | C73 | H25 | 120.4° | 119.7° |
| C72 | C71 | C76 | 132.5° | 133.8° |
| C72 | C71 | C70 | 121.8° | 119.9° |
| C73 | C74 | C69 | 121.1° | 120.6° |
| C74 | C73 | H25 | 120.3° | 119.7° |
| C73 | C74 | H26 | 119.5° | 119.7° |
| C35 | C30 | C29 | 119.6° | 120.0° |
| C30 | C35 | H13 | 120.1° | 119.9° |
| C30 | C29 | C28 | 111.1° | 109.5° |
| C30 | C29 | H8 | 109.1° | 109.4° |
| C30 | C29 | H9 | 109.0° | 109.5° |
| S89 | N83 | C76 | 121.0° | 120.0° |
| N83 | S89 | C90 | 108.5° | 104.4° |
| N83 | S89 | O94 | 110.0° | 104.3° |
| S89 | N83 | H36 | 106.5° | 120.0° |
| N83 | C76 | C71 | 126.2° | 126.2° |
| N83 | C76 | N78 | 127.4° | 126.2° |
| C76 | N83 | H36 | 106.5° | 120.0° |
| C3 | C2 | C1 | 113.3° | 111.0° |
| C3 | C2 | C5 | 141.2° | 141.1° |
| C2 | C3 | H10 | 110.9° | 117.5° |
| F11 | C9 | C1 | 110.7° | 110.0° |
| C9 | C1 | C2 | 111.3° | 111.0° |
| C9 | C1 | N6 | 140.1° | 141.2° |
| C90 | S89 | O94 | 110.0° | 110.5° |
| S89 | C90 | C91 | 114.5° | 117.5° |
| S89 | C90 | C92 | 115.8° | 117.5° |
| S89 | C90 | H30 | 115.4° | 115.6° |
| C76 | C71 | C70 | 105.7° | 106.3° |
| C71 | C76 | N78 | 106.4° | 107.6° |
| C71 | C70 | C69 | 118.3° | 119.4° |
| C71 | C70 | N77 | 106.2° | 106.9° |
| C74 | C69 | C70 | 119.8° | 119.6° |
| C74 | C69 | C47 | 116.5° | 120.2° |
| C69 | C74 | H26 | 119.5° | 119.7° |
| C91 | C90 | C92 | 60.3° | 60.0° |
| C90 | C91 | C92 | 59.9° | 60.0° |
| C91 | C90 | H30 | 119.9° | 117.5° |
| C90 | C91 | H31 | 120.0° | 117.6° |
| C90 | C91 | H32 | 120.0° | 117.5° |
| C90 | C92 | C91 | 59.8° | 60.0° |
| C92 | C90 | H30 | 119.9° | 117.5° |
| C90 | C92 | H33 | 120.1° | 117.5° |
| C90 | C92 | H34 | 120.1° | 117.5° |
| C76 | N78 | N77 | 111.6° | 110.0° |
| C29 | C28 | N23 | 110.1° | 109.5° |
| C29 | C28 | C43 | 105.7° | 109.5° |
| C29 | C28 | H7 | 110.0° | 109.4° |
| C28 | C29 | H8 | 109.0° | 109.5° |
| C28 | C29 | H9 | 109.1° | 109.5° |
| C92 | C91 | H31 | 120.0° | 117.6° |
| C92 | C91 | H32 | 120.0° | 117.5° |
| C91 | C92 | H33 | 120.0° | 117.5° |
| C91 | C92 | H34 | 120.0° | 117.4° |
| C1 | C2 | C5 | 105.5° | 107.9° |
| C2 | C1 | N6 | 108.6° | 107.8° |
| C2 | C5 | C15 | 126.1° | 125.9° |
| C2 | C5 | N7 | 105.8° | 108.2° |
| C1 | N6 | C8 | 125.9° | 126.1° |
| C1 | N6 | N7 | 108.5° | 107.9° |
| O26 | C25 | N23 | 121.4° | 120.0° |
| O26 | C25 | C8 | 120.5° | 120.1° |
| C69 | C70 | N77 | 135.5° | 133.7° |
| C70 | C69 | C47 | 123.7° | 120.2° |
| C70 | N77 | N78 | 110.0° | 109.2° |
| C70 | N77 | C79 | 127.7° | 125.4° |
| C69 | C47 | C43 | 123.4° | 120.4° |
| C69 | C47 | C46 | 117.3° | 120.4° |
| N23 | C28 | C43 | 109.3° | 109.5° |
| C28 | N23 | C25 | 122.2° | 120.0° |
| N23 | C28 | H7 | 111.6° | 109.5° |
| C28 | N23 | H35 | 118.9° | 120.0° |
| C28 | C43 | C47 | 122.5° | 119.7° |
| C28 | C43 | N48 | 117.8° | 119.6° |
| C43 | C28 | H7 | 110.0° | 109.5° |
| F21 | C15 | C5 | 109.0° | 109.5° |
| F21 | C15 | F22 | 109.7° | 109.5° |
| F21 | C15 | H6 | 110.7° | 109.5° |
| N78 | N77 | C79 | 122.3° | 125.4° |
| N23 | C25 | C8 | 118.0° | 120.0° |
| C25 | N23 | H35 | 118.9° | 120.0° |
| C25 | C8 | N6 | 113.0° | 109.5° |
| C25 | C8 | H1 | 108.6° | 109.5° |
| C25 | C8 | H2 | 108.6° | 109.5° |
| C15 | C5 | N7 | 128.1° | 125.9° |
| C5 | C15 | F22 | 108.4° | 109.4° |
| C5 | C15 | H6 | 108.2° | 109.4° |
| C5 | N7 | N6 | 111.5° | 108.2° |
| N77 | C79 | C80 | 109.1° | 109.5° |
| N77 | C79 | H27 | 109.6° | 109.5° |
| N77 | C79 | H28 | 109.6° | 109.5° |
| C8 | N6 | N7 | 125.6° | 126.1° |
| N6 | C8 | H1 | 108.6° | 109.5° |
| N6 | C8 | H2 | 108.6° | 109.5° |
| C43 | C47 | C46 | 119.3° | 119.2° |
| C47 | C43 | N48 | 119.7° | 120.7° |
| C47 | C46 | C45 | 120.0° | 118.4° |
| C47 | C46 | H15 | 120.0° | 120.8° |
| F22 | C15 | H6 | 110.7° | 109.5° |
| C43 | N48 | C44 | 121.2° | 121.8° |
| C79 | C80 | F81 | 108.8° | 109.5° |
| C79 | C80 | F82 | 109.7° | 109.5° |
| C80 | C79 | H27 | 109.6° | 109.5° |
| C80 | C79 | H28 | 109.6° | 109.4° |
| C79 | C80 | H29 | 107.9° | 109.5° |
| C46 | C45 | C44 | 119.5° | 119.2° |
| C46 | C45 | H14 | 120.3° | 120.4° |
| C45 | C46 | H15 | 120.0° | 120.8° |
| N48 | C44 | C45 | 120.3° | 120.8° |
| N48 | C44 | C49 | 120.8° | 119.6° |
| F81 | C80 | F82 | 109.7° | 109.4° |
| F81 | C80 | H29 | 110.3° | 109.5° |
| C45 | C44 | C49 | 119.0° | 119.6° |
| C44 | C45 | H14 | 120.3° | 120.4° |
| F82 | C80 | H29 | 110.4° | 109.5° |
| C44 | C49 | C50 | 179.9° | 180.0° |
| C49 | C50 | C53 | 179.9° | 180.0° |
| O59 | S56 | O58 | 108.8° | 119.2° |
| O59 | S56 | C53 | 109.8° | 108.6° |
| O59 | S56 | C57 | 109.8° | 108.6° |
| C50 | C53 | S56 | 109.6° | 109.5° |
| C50 | C53 | C54 | 108.4° | 109.5° |
| C50 | C53 | C55 | 109.6° | 109.5° |
| O58 | S56 | C53 | 109.8° | 108.6° |
| O58 | S56 | C57 | 109.4° | 108.6° |
| C53 | S56 | C57 | 109.3° | 101.9° |
| S56 | C53 | C54 | 109.8° | 109.5° |
| S56 | C53 | C55 | 110.1° | 109.5° |
| S56 | C57 | H22 | 109.5° | 109.4° |
| S56 | C57 | H23 | 109.5° | 109.5° |
| S56 | C57 | H24 | 109.5° | 109.5° |
| C54 | C53 | C55 | 109.5° | 109.4° |
| C53 | C54 | H16 | 109.5° | 109.5° |
| C53 | C54 | H17 | 109.4° | 109.5° |
| C53 | C54 | H18 | 109.4° | 109.4° |
| C53 | C55 | H19 | 109.5° | 109.5° |
| C53 | C55 | H20 | 109.5° | 109.5° |
| C53 | C55 | H21 | 109.5° | 109.5° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 115.5° |
| H8 | C29 | H9 | 109.5° | 109.5° |
| H16 | C54 | H17 | 109.5° | 109.5° |
| H16 | C54 | H18 | 109.5° | 109.5° |
| H17 | C54 | H18 | 109.5° | 109.5° |
| H19 | C55 | H20 | 109.4° | 109.4° |
| H19 | C55 | H21 | 109.4° | 109.5° |
| H20 | C55 | H21 | 109.5° | 109.4° |
| H22 | C57 | H23 | 109.5° | 109.5° |
| H22 | C57 | H24 | 109.4° | 109.5° |
| H23 | C57 | H24 | 109.4° | 109.4° |
| H27 | C79 | H28 | 109.5° | 109.5° |
| H31 | C91 | H32 | 109.4° | 115.5° |
| H33 | C92 | H34 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F39 | C32 | C33 | C31 | 179.9° | 179.9° |
| F39 | C32 | C33 | C34 | 179.6° | 180.0° |
| F39 | C32 | C31 | C30 | 179.9° | 180.0° |
| F39 | C32 | C31 | H11 | 0.1° | 0.1° |
| F39 | C32 | C33 | H12 | 0.3° | 0.0° |
| C32 | C33 | C34 | H12 | 180.0° | 180.0° |
| C32 | C33 | C34 | F41 | 179.7° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.3° |
| C33 | C32 | C31 | C30 | 0.3° | 0.1° |
| C33 | C32 | C31 | H11 | 179.8° | 180.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C33 | C34 | F41 | C35 | 179.0° | 179.8° |
| C33 | C34 | C35 | C30 | 0.6° | 0.6° |
| C33 | C34 | C35 | H13 | 179.4° | 179.9° |
| C32 | C31 | C30 | H11 | 180.0° | 179.9° |
| C32 | C31 | C30 | C35 | 0.3° | 0.2° |
| C32 | C31 | C30 | C29 | 179.8° | 180.0° |
| C31 | C32 | C33 | H12 | 179.8° | 179.9° |
| CL75 | C72 | C73 | C71 | 180.0° | 179.6° |
| CL75 | C72 | C73 | C74 | 179.8° | 180.0° |
| CL75 | C72 | C71 | C76 | 0.2° | 0.3° |
| CL75 | C72 | C71 | C70 | 179.9° | 179.6° |
| CL75 | C72 | C73 | H25 | 0.1° | 0.4° |
| F41 | C34 | C35 | C30 | 179.6° | 179.7° |
| F41 | C34 | C33 | H12 | 0.3° | 0.0° |
| F41 | C34 | C35 | H13 | 0.4° | 0.3° |
| C34 | C35 | C30 | C31 | 0.1° | 0.6° |
| C34 | C35 | C30 | H13 | 180.0° | 179.4° |
| C34 | C35 | C30 | C29 | 179.4° | 179.7° |
| C35 | C34 | C33 | H12 | 179.4° | 179.7° |
| C31 | C30 | C35 | C29 | 179.4° | 179.7° |
| C31 | C30 | C29 | C28 | 97.5° | 90.0° |
| C31 | C30 | C29 | H8 | 22.7° | 30.0° |
| C31 | C30 | C29 | H9 | 142.3° | 150.0° |
| C31 | C30 | C35 | H13 | 179.9° | 179.9° |
| O93 | S89 | N83 | C90 | 119.3° | 116.1° |
| O93 | S89 | N83 | O94 | 120.4° | 127.9° |
| O93 | S89 | N83 | C76 | 126.2° | 51.0° |
| O93 | S89 | C90 | O94 | 119.8° | 136.7° |
| O93 | S89 | C90 | C91 | 150.8° | 63.3° |
| O93 | S89 | C90 | C92 | 141.9° | 5.3° |
| O93 | S89 | C90 | H30 | 5.4° | 150.9° |
| O93 | S89 | N83 | H36 | 112.2° | 128.9° |
| C12 | C4 | C3 | C9 | 141.8° | 114.8° |
| C12 | C4 | C3 | H3 | 101.1° | 108.0° |
| C12 | C4 | C9 | H3 | 179.5° | 157.6° |
| C4 | C12 | C3 | H4 | 109.6° | 107.6° |
| C4 | C12 | C3 | H5 | 109.6° | 107.6° |
| C12 | C4 | C9 | F10 | 176.6° | 177.9° |
| C12 | C4 | C3 | C2 | 139.0° | 114.2° |
| C12 | C4 | C9 | F11 | 59.5° | 56.5° |
| C12 | C4 | C9 | C1 | 60.2° | 62.8° |
| C4 | C12 | H4 | H5 | 144.4° | 145.6° |
| C12 | C4 | C3 | H10 | 102.6° | 107.9° |
| C3 | C4 | C9 | H3 | 117.1° | 139.1° |
| C3 | C4 | C9 | F10 | 113.3° | 118.8° |
| C4 | C3 | C2 | H10 | 118.1° | 139.5° |
| C3 | C4 | C9 | F11 | 122.9° | 119.8° |
| C3 | C4 | C9 | C1 | 3.2° | 0.5° |
| C4 | C3 | C2 | C1 | 1.4° | 0.5° |
| C4 | C3 | C2 | C5 | 177.6° | 179.6° |
| C4 | C9 | F10 | F11 | 124.2° | 121.4° |
| C4 | C9 | F10 | C1 | 113.4° | 117.3° |
| C9 | C4 | C3 | C2 | 2.8° | 0.6° |
| C4 | C9 | F11 | C1 | 115.8° | 117.3° |
| C4 | C9 | C1 | C2 | 2.4° | 0.2° |
| C4 | C9 | C1 | N6 | 178.8° | 179.7° |
| C9 | C4 | C12 | H4 | 30.0° | 16.7° |
| C9 | C4 | C12 | H5 | 170.7° | 161.6° |
| C9 | C4 | C3 | H10 | 115.6° | 137.3° |
| C12 | C3 | C2 | H10 | 176.7° | 156.1° |
| C12 | C3 | C2 | C1 | 60.0° | 64.9° |
| C12 | C3 | C2 | C5 | 119.0° | 115.2° |
| C3 | C12 | H4 | H5 | 144.4° | 145.5° |
| F10 | C9 | F11 | C1 | 121.4° | 121.3° |
| F10 | C9 | C1 | C2 | 114.2° | 119.1° |
| F10 | C9 | C1 | N6 | 64.6° | 60.9° |
| F10 | C9 | C4 | H3 | 3.8° | 20.3° |
| C72 | C73 | C74 | H25 | 180.0° | 179.6° |
| C73 | C72 | C71 | C76 | 179.8° | 179.9° |
| C73 | C72 | C71 | C70 | 0.1° | 0.0° |
| C72 | C73 | C74 | C69 | 0.5° | 0.8° |
| C72 | C73 | C74 | H26 | 179.5° | 179.9° |
| C71 | C72 | C73 | C74 | 0.1° | 0.4° |
| C72 | C71 | C76 | N83 | 0.6° | 0.1° |
| C72 | C71 | C76 | C70 | 179.7° | 179.9° |
| C72 | C71 | C76 | N78 | 179.9° | 180.0° |
| C72 | C71 | C70 | C69 | 0.4° | 0.1° |
| C72 | C71 | C70 | N77 | 179.9° | 180.0° |
| C71 | C72 | C73 | H25 | 179.9° | 180.0° |
| C73 | C74 | C69 | H26 | 180.0° | 179.3° |
| C73 | C74 | C69 | C70 | 0.8° | 0.7° |
| C73 | C74 | C69 | C47 | 179.5° | 179.6° |
| C35 | C30 | C29 | C28 | 83.1° | 90.3° |
| C35 | C30 | C29 | H8 | 156.7° | 149.7° |
| C35 | C30 | C29 | H9 | 37.2° | 29.7° |
| C35 | C30 | C31 | H11 | 179.7° | 179.7° |
| C30 | C29 | C28 | H8 | 120.3° | 119.9° |
| C30 | C29 | C28 | H9 | 120.2° | 120.0° |
| C30 | C29 | C28 | N23 | 81.5° | 65.5° |
| C30 | C29 | C28 | C43 | 160.5° | 174.4° |
| C30 | C29 | C28 | H7 | 41.8° | 54.5° |
| C30 | C29 | H8 | H9 | 119.2° | 120.0° |
| C29 | C30 | C31 | H11 | 0.3° | 0.0° |
| C29 | C30 | C35 | H13 | 0.6° | 0.4° |
| S89 | N83 | C76 | H36 | 121.6° | 179.9° |
| N83 | S89 | C90 | O94 | 120.4° | 111.6° |
| S89 | N83 | C76 | C71 | 179.8° | 180.0° |
| N83 | S89 | C90 | C91 | 30.9° | 175.0° |
| N83 | S89 | C90 | C92 | 98.3° | 106.4° |
| S89 | N83 | C76 | N78 | 0.6° | 0.1° |
| N83 | S89 | C90 | H30 | 114.4° | 39.3° |
| C76 | N83 | S89 | C90 | 114.5° | 65.0° |
| C76 | N83 | S89 | O94 | 5.9° | 178.9° |
| N83 | C76 | C71 | N78 | 179.4° | 179.9° |
| N83 | C76 | C71 | C70 | 179.7° | 179.9° |
| N83 | C76 | N78 | N77 | 179.6° | 179.9° |
| C3 | C2 | C1 | C9 | 0.7° | 0.2° |
| C3 | C2 | C1 | C5 | 179.3° | 179.9° |
| C3 | C2 | C1 | N6 | 179.9° | 179.9° |
| C3 | C2 | C5 | C15 | 0.9° | 0.1° |
| C3 | C2 | C5 | N7 | 179.4° | 179.9° |
| C2 | C3 | C4 | H3 | 119.9° | 137.7° |
| C2 | C3 | C12 | H4 | 35.2° | 14.2° |
| C2 | C3 | C12 | H5 | 176.0° | 159.0° |
| F11 | C9 | C1 | C2 | 123.0° | 119.5° |
| F11 | C9 | C1 | N6 | 58.2° | 60.4° |
| F11 | C9 | C4 | H3 | 120.0° | 101.1° |
| C9 | C1 | C2 | N6 | 179.2° | 180.0° |
| C9 | C1 | C2 | C5 | 180.0° | 179.9° |
| C9 | C1 | N6 | C8 | 2.0° | 0.1° |
| C9 | C1 | N6 | N7 | 179.7° | 179.9° |
| C1 | C9 | C4 | H3 | 120.3° | 139.6° |
| S89 | C90 | C91 | C92 | 106.9° | 107.5° |
| S89 | C90 | C91 | H30 | 143.6° | 145.1° |
| S89 | C90 | C92 | H30 | 145.8° | 145.0° |
| S89 | C90 | C91 | H31 | 143.7° | 145.0° |
| S89 | C90 | C91 | H32 | 2.6° | 0.0° |
| S89 | C90 | C92 | H33 | 4.7° | 0.1° |
| S89 | C90 | C92 | H34 | 145.9° | 145.0° |
| C90 | S89 | N83 | H36 | 7.1° | 115.0° |
| O94 | S89 | C90 | C91 | 89.5° | 73.4° |
| O94 | S89 | C90 | C92 | 22.1° | 142.0° |
| O94 | S89 | C90 | H30 | 125.2° | 72.4° |
| O94 | S89 | N83 | H36 | 127.4° | 1.0° |
| C76 | C71 | C70 | C69 | 179.9° | 180.0° |
| C76 | C71 | C70 | N77 | 0.3° | 0.0° |
| C71 | C76 | N78 | N77 | 0.3° | 0.0° |
| C71 | C76 | N83 | H36 | 58.6° | 0.1° |
| C71 | C70 | C69 | C74 | 0.7° | 0.3° |
| C70 | C71 | C76 | N78 | 0.3° | 0.0° |
| C71 | C70 | C69 | N77 | 179.4° | 180.0° |
| C71 | C70 | C69 | C47 | 179.4° | 180.0° |
| C71 | C70 | N77 | N78 | 0.1° | 0.0° |
| C71 | C70 | N77 | C79 | 179.9° | 180.0° |
| C74 | C69 | C70 | C47 | 178.6° | 179.7° |
| C74 | C69 | C70 | N77 | 179.9° | 179.7° |
| C74 | C69 | C47 | C43 | 100.2° | 74.4° |
| C74 | C69 | C47 | C46 | 79.0° | 105.6° |
| C69 | C74 | C73 | H25 | 179.5° | 179.7° |
| C91 | C90 | C92 | H30 | 109.5° | 107.5° |
| C90 | C91 | C92 | H31 | 109.4° | 107.5° |
| C90 | C91 | C92 | H32 | 109.5° | 107.5° |
| C90 | C91 | H31 | H32 | 144.8° | 145.7° |
| C91 | C90 | C92 | H33 | 109.4° | 107.4° |
| C91 | C90 | C92 | H34 | 109.4° | 107.4° |
| C90 | C92 | H33 | H34 | 144.9° | 145.8° |
| C76 | N78 | N77 | C70 | 0.1° | 0.0° |
| C76 | N78 | N77 | C79 | 179.7° | 180.0° |
| N78 | C76 | N83 | H36 | 122.2° | 180.0° |
| C29 | C28 | N23 | C43 | 115.7° | 120.0° |
| C29 | C28 | N23 | H7 | 122.4° | 119.9° |
| C29 | C28 | C43 | H7 | 118.7° | 119.9° |
| C29 | C28 | N23 | C25 | 113.0° | 85.0° |
| C29 | C28 | C43 | C47 | 106.6° | 104.7° |
| C29 | C28 | C43 | N48 | 72.9° | 75.1° |
| C28 | C29 | H8 | H9 | 119.2° | 120.1° |
| C29 | C28 | N23 | H35 | 67.0° | 95.0° |
| C92 | C91 | H31 | H32 | 144.8° | 145.7° |
| C91 | C92 | H33 | H34 | 144.8° | 145.6° |
| C1 | C2 | C5 | C15 | 179.9° | 180.0° |
| C1 | C2 | C5 | N7 | 0.4° | 0.0° |
| C2 | C1 | N6 | C8 | 179.2° | 180.0° |
| C2 | C1 | N6 | N7 | 0.9° | 0.1° |
| C1 | C2 | C3 | H10 | 116.8° | 139.0° |
| C5 | C2 | C1 | N6 | 0.8° | 0.0° |
| C2 | C5 | C15 | F21 | 56.5° | 30.0° |
| C2 | C5 | C15 | N7 | 179.6° | 180.0° |
| C2 | C5 | N7 | N6 | 0.1° | 0.0° |
| C2 | C5 | C15 | F22 | 62.8° | 150.0° |
| C2 | C5 | C15 | H6 | 177.1° | 90.0° |
| C5 | C2 | C3 | H10 | 64.3° | 40.9° |
| C1 | N6 | C8 | C25 | 73.2° | 90.0° |
| C1 | N6 | N7 | C5 | 0.6° | 0.1° |
| C1 | N6 | C8 | N7 | 178.0° | 179.9° |
| C1 | N6 | C8 | H1 | 166.3° | 30.0° |
| C1 | N6 | C8 | H2 | 47.4° | 150.0° |
| O26 | C25 | N23 | C28 | 0.0° | 0.0° |
| O26 | C25 | N23 | C8 | 179.7° | 180.0° |
| O26 | C25 | C8 | N6 | 4.0° | 0.0° |
| O26 | C25 | C8 | H1 | 116.5° | 120.0° |
| O26 | C25 | C8 | H2 | 124.5° | 120.0° |
| O26 | C25 | N23 | H35 | 180.0° | 179.9° |
| C69 | C70 | N77 | N78 | 179.6° | 180.0° |
| C69 | C70 | N77 | C79 | 0.7° | 0.0° |
| C70 | C69 | C47 | C43 | 81.1° | 105.2° |
| C70 | C69 | C47 | C46 | 99.7° | 74.7° |
| C70 | C69 | C74 | H26 | 179.2° | 180.0° |
| N77 | C70 | C69 | C47 | 1.2° | 0.0° |
| C70 | N77 | N78 | C79 | 179.8° | 180.0° |
| C70 | N77 | C79 | C80 | 101.6° | 96.9° |
| C70 | N77 | C79 | H27 | 18.3° | 23.1° |
| C70 | N77 | C79 | H28 | 138.4° | 143.1° |
| C69 | C47 | C43 | C28 | 0.2° | 0.0° |
| C69 | C47 | C43 | C46 | 179.2° | 180.0° |
| C69 | C47 | C43 | N48 | 179.3° | 179.8° |
| C69 | C47 | C46 | C45 | 179.6° | 180.0° |
| C69 | C47 | C46 | H15 | 0.5° | 0.3° |
| C47 | C69 | C74 | H26 | 0.5° | 0.4° |
| N23 | C28 | C43 | H7 | 122.9° | 120.1° |
| C28 | N23 | C25 | H35 | 180.0° | 179.9° |
| C28 | N23 | C25 | C8 | 179.7° | 180.0° |
| N23 | C28 | C43 | C47 | 134.9° | 135.2° |
| N23 | C28 | C43 | N48 | 45.6° | 45.0° |
| N23 | C28 | C29 | H8 | 158.2° | 54.4° |
| N23 | C28 | C29 | H9 | 38.7° | 174.5° |
| C43 | C28 | N23 | C25 | 131.2° | 155.0° |
| C28 | C43 | C47 | N48 | 179.5° | 179.8° |
| C28 | C43 | C47 | C46 | 179.3° | 180.0° |
| C28 | C43 | N48 | C44 | 179.7° | 180.0° |
| C43 | C28 | C29 | H8 | 40.2° | 65.6° |
| C43 | C28 | C29 | H9 | 79.3° | 54.4° |
| C43 | C28 | N23 | H35 | 48.8° | 25.0° |
| F21 | C15 | C5 | F22 | 119.4° | 120.0° |
| F21 | C15 | C5 | H6 | 120.5° | 120.0° |
| F21 | C15 | C5 | N7 | 123.0° | 150.0° |
| F21 | C15 | F22 | H6 | 122.5° | 120.0° |
| N78 | N77 | C79 | C80 | 78.1° | 83.0° |
| N78 | N77 | C79 | H27 | 162.0° | 156.9° |
| N78 | N77 | C79 | H28 | 41.9° | 36.9° |
| N23 | C25 | C8 | N6 | 176.2° | 180.0° |
| N23 | C25 | C8 | H1 | 63.2° | 60.0° |
| N23 | C25 | C8 | H2 | 55.7° | 60.0° |
| C25 | N23 | C28 | H7 | 9.4° | 34.9° |
| C25 | C8 | N6 | H1 | 120.5° | 120.0° |
| C25 | C8 | N6 | H2 | 120.5° | 120.0° |
| C25 | C8 | N6 | N7 | 108.9° | 90.0° |
| C25 | C8 | H1 | H2 | 118.4° | 120.0° |
| C8 | C25 | N23 | H35 | 0.3° | 0.0° |
| C15 | C5 | N7 | N6 | 179.5° | 180.0° |
| C5 | C15 | F22 | H6 | 118.6° | 120.0° |
| C5 | N7 | N6 | C8 | 178.9° | 180.0° |
| N7 | C5 | C15 | F22 | 117.6° | 30.0° |
| N7 | C5 | C15 | H6 | 2.5° | 90.0° |
| N77 | C79 | C80 | H27 | 119.9° | 120.0° |
| N77 | C79 | C80 | H28 | 120.0° | 120.0° |
| N77 | C79 | C80 | F81 | 60.2° | 175.0° |
| N77 | C79 | C80 | F82 | 179.8° | 65.1° |
| N77 | C79 | H27 | H28 | 120.2° | 120.0° |
| N77 | C79 | C80 | H29 | 59.5° | 55.0° |
| N6 | C8 | H1 | H2 | 118.3° | 120.0° |
| N7 | N6 | C8 | H1 | 11.7° | 150.1° |
| N7 | N6 | C8 | H2 | 130.6° | 30.1° |
| C43 | C47 | C46 | C45 | 0.3° | 0.0° |
| C47 | C43 | N48 | C44 | 0.1° | 0.2° |
| C47 | C43 | C28 | H7 | 12.1° | 15.2° |
| C43 | C47 | C46 | H15 | 179.7° | 179.7° |
| C46 | C47 | C43 | N48 | 0.2° | 0.2° |
| C47 | C46 | C45 | H15 | 180.0° | 179.7° |
| C47 | C46 | C45 | C44 | 0.2° | 0.3° |
| C47 | C46 | C45 | H14 | 179.9° | 179.9° |
| C43 | N48 | C44 | C45 | 0.3° | 0.1° |
| C43 | N48 | C44 | C49 | 179.8° | 179.9° |
| N48 | C43 | C28 | H7 | 168.4° | 165.0° |
| C79 | C80 | F81 | F82 | 120.0° | 120.0° |
| C79 | C80 | F81 | H29 | 118.2° | 120.0° |
| C79 | C80 | F82 | H29 | 118.8° | 120.0° |
| C80 | C79 | H27 | H28 | 120.2° | 119.9° |
| C46 | C45 | C44 | N48 | 0.2° | 0.3° |
| C46 | C45 | C44 | H14 | 180.0° | 179.7° |
| C46 | C45 | C44 | C49 | 180.0° | 179.7° |
| N48 | C44 | C45 | C49 | 179.9° | 180.0° |
| N48 | C44 | C49 | C50 | 159.5° | 79.7° |
| N48 | C44 | C45 | H14 | 179.8° | 180.0° |
| F81 | C80 | F82 | H29 | 121.8° | 120.0° |
| F81 | C80 | C79 | H27 | 179.9° | 64.9° |
| F81 | C80 | C79 | H28 | 59.7° | 55.0° |
| C45 | C44 | C49 | C50 | 20.4° | 100.3° |
| C44 | C45 | C46 | H15 | 179.8° | 180.0° |
| F82 | C80 | C79 | H27 | 59.9° | 55.0° |
| F82 | C80 | C79 | H28 | 60.3° | 175.0° |
| C44 | C49 | C50 | C53 | 35.6° | 131.0° |
| C49 | C44 | C45 | H14 | 0.1° | 0.0° |
| C49 | C50 | C53 | S56 | 90.0° | 90.7° |
| C49 | C50 | C53 | C54 | 29.8° | 149.3° |
| C49 | C50 | C53 | C55 | 149.1° | 29.3° |
| O59 | S56 | C53 | C50 | 56.0° | 65.5° |
| O59 | S56 | O58 | C53 | 120.1° | 124.9° |
| O59 | S56 | O58 | C57 | 120.0° | 125.0° |
| O59 | S56 | C53 | C57 | 120.5° | 114.5° |
| O59 | S56 | C53 | C54 | 62.8° | 54.6° |
| O59 | S56 | C53 | C55 | 176.6° | 174.5° |
| O59 | S56 | C57 | H22 | 180.0° | 65.5° |
| O59 | S56 | C57 | H23 | 60.0° | 54.5° |
| O59 | S56 | C57 | H24 | 60.0° | 174.5° |
| C50 | C53 | S56 | O58 | 63.5° | 65.5° |
| C50 | C53 | S56 | C54 | 118.9° | 120.0° |
| C50 | C53 | S56 | C55 | 120.6° | 120.0° |
| C50 | C53 | S56 | C57 | 176.5° | 180.0° |
| C50 | C53 | C54 | C55 | 119.5° | 120.0° |
| C50 | C53 | C54 | H16 | 180.0° | 60.0° |
| C50 | C53 | C54 | H17 | 60.0° | 180.0° |
| C50 | C53 | C54 | H18 | 60.0° | 60.0° |
| C50 | C53 | C55 | H19 | 180.0° | 60.1° |
| C50 | C53 | C55 | H20 | 60.0° | 180.0° |
| C50 | C53 | C55 | H21 | 60.0° | 60.0° |
| O58 | S56 | C53 | C57 | 120.0° | 114.5° |
| O58 | S56 | C53 | C54 | 177.6° | 174.5° |
| O58 | S56 | C53 | C55 | 57.1° | 54.5° |
| O58 | S56 | C57 | H22 | 60.7° | 65.5° |
| O58 | S56 | C57 | H23 | 179.3° | 174.5° |
| O58 | S56 | C57 | H24 | 59.3° | 54.5° |
| S56 | C53 | C54 | C55 | 120.9° | 120.0° |
| S56 | C53 | C54 | H16 | 60.4° | 180.0° |
| S56 | C53 | C54 | H17 | 179.6° | 59.9° |
| S56 | C53 | C54 | H18 | 59.6° | 60.0° |
| S56 | C53 | C55 | H19 | 59.4° | 60.0° |
| S56 | C53 | C55 | H20 | 60.6° | 60.0° |
| S56 | C53 | C55 | H21 | 179.4° | 180.0° |
| C53 | S56 | C57 | H22 | 59.5° | 180.0° |
| C53 | S56 | C57 | H23 | 60.5° | 60.0° |
| C53 | S56 | C57 | H24 | 179.6° | 60.0° |
| C57 | S56 | C53 | C54 | 57.6° | 60.0° |
| C57 | S56 | C53 | C55 | 62.9° | 60.0° |
| S56 | C57 | H22 | H23 | 120.0° | 120.0° |
| S56 | C57 | H22 | H24 | 120.0° | 120.0° |
| S56 | C57 | H23 | H24 | 120.0° | 120.0° |
| C53 | C54 | H16 | H17 | 120.0° | 120.0° |
| C53 | C54 | H16 | H18 | 120.0° | 119.9° |
| C53 | C54 | H17 | H18 | 120.0° | 119.9° |
| C54 | C53 | C55 | H19 | 61.3° | 180.0° |
| C54 | C53 | C55 | H20 | 178.7° | 60.0° |
| C54 | C53 | C55 | H21 | 58.7° | 60.0° |
| C55 | C53 | C54 | H16 | 60.5° | 60.0° |
| C55 | C53 | C54 | H17 | 59.5° | 60.1° |
| C55 | C53 | C54 | H18 | 179.5° | 180.0° |
| C53 | C55 | H19 | H20 | 120.0° | 120.0° |
| C53 | C55 | H19 | H21 | 120.0° | 120.1° |
| C53 | C55 | H20 | H21 | 120.0° | 120.0° |
| H3 | C4 | C12 | H4 | 149.5° | 140.6° |
| H3 | C4 | C12 | H5 | 8.8° | 4.3° |
| H3 | C4 | C3 | H10 | 1.5° | 0.2° |
| H4 | C12 | C3 | H10 | 148.1° | 141.6° |
| H5 | C12 | C3 | H10 | 7.3° | 3.3° |
| H7 | C28 | C29 | H8 | 78.4° | 174.4° |
| H7 | C28 | C29 | H9 | 162.1° | 65.6° |
| H7 | C28 | N23 | H35 | 170.6° | 145.0° |
| H14 | C45 | C46 | H15 | 0.1° | 0.4° |
| H16 | C54 | H17 | H18 | 120.0° | 120.0° |
| H19 | C55 | H20 | H21 | 120.0° | 120.0° |
| H22 | C57 | H23 | H24 | 120.0° | 120.0° |
| H25 | C73 | C74 | H26 | 0.5° | 0.4° |
| H27 | C79 | C80 | H29 | 60.4° | 175.0° |
| H28 | C79 | C80 | H29 | 179.4° | 65.0° |
| H30 | C90 | C91 | H31 | 0.1° | 0.1° |
| H30 | C90 | C91 | H32 | 141.1° | 145.0° |
| H30 | C90 | C92 | H33 | 141.1° | 145.1° |
| H30 | C90 | C92 | H34 | 0.1° | 0.0° |
| H31 | C91 | C92 | H33 | 141.1° | 144.9° |
| H31 | C91 | C92 | H34 | 0.0° | 0.1° |
| H32 | C91 | C92 | H33 | 0.0° | 0.0° |
| H32 | C91 | C92 | H34 | 141.1° | 145.0° |
