A1B7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | N39 | sing | 1.32Å | 1.38Å | Aromatic |
| C7 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| N39 | C21 | doub | 1.29Å | 1.31Å | Aromatic |
| C14 | C19 | sing | 1.48Å | 1.49Å | |
| C14 | C13 | doub | 1.41Å | 1.44Å | Aromatic |
| N38 | C19 | doub | 1.33Å | 1.35Å | Aromatic |
| N38 | C8 | sing | 1.31Å | 1.32Å | Aromatic |
| C11 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | S51 | sing | 1.76Å | 1.71Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C18 | F49 | sing | 1.35Å | 1.35Å | |
| C18 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | S51 | sing | 1.71Å | 1.73Å | Aromatic |
| C21 | C35 | sing | 1.51Å | 1.50Å | |
| C27 | N44 | sing | 1.48Å | 1.51Å | |
| C27 | C24 | sing | 1.55Å | 1.50Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C12 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C15 | N40 | sing | 1.34Å | 1.36Å | Aromatic |
| N44 | C32 | sing | 1.48Å | 1.50Å | |
| N44 | C34 | sing | 1.48Å | 1.55Å | |
| C20 | N42 | sing | 1.38Å | 1.37Å | |
| C20 | N41 | doub | 1.33Å | 1.32Å | Aromatic |
| C32 | C33 | sing | 1.55Å | 1.50Å | |
| N42 | C29 | sing | 1.47Å | 1.47Å | |
| N42 | C28 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| N40 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C31 | C29 | sing | 1.53Å | 1.48Å | |
| C31 | N43 | sing | 1.47Å | 1.48Å | |
| N41 | C22 | sing | 1.33Å | 1.33Å | Aromatic |
| C22 | O47 | sing | 1.35Å | 1.33Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C10 | C2 | sing | 1.43Å | 1.43Å | |
| C10 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| O47 | C37 | sing | 1.43Å | 1.43Å | |
| C4 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | trip | 1.17Å | 1.19Å | |
| C37 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | C25 | sing | 1.54Å | 1.54Å | |
| C34 | C26 | sing | 1.54Å | 1.54Å | |
| N43 | C30 | sing | 1.47Å | 1.47Å | |
| N43 | C23 | sing | 1.35Å | 1.34Å | |
| C17 | F48 | sing | 1.35Å | 1.35Å | |
| C36 | C23 | sing | 1.51Å | 1.52Å | |
| C33 | F50 | sing | 1.40Å | 1.41Å | |
| C33 | C26 | sing | 1.55Å | 1.50Å | |
| C23 | O45 | doub | 1.21Å | 1.23Å | |
| C36 | F1 | sing | 1.40Å | 1.83Å | |
| C4 | H54 | sing | 1.08Å | 1.08Å | |
| C5 | H55 | sing | 1.08Å | 1.08Å | |
| C6 | H56 | sing | 1.08Å | 1.08Å | |
| C7 | H57 | sing | 1.08Å | 1.08Å | |
| C8 | H58 | sing | 1.08Å | 1.08Å | |
| C24 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H60 | sing | 1.09Å | 1.10Å | |
| C26 | H65 | sing | 1.09Å | 1.10Å | |
| C26 | H64 | sing | 1.09Å | 1.10Å | |
| C28 | H69 | sing | 1.09Å | 1.10Å | |
| C28 | H68 | sing | 1.09Å | 1.10Å | |
| C1 | H52 | sing | 1.05Å | 1.06Å | |
| C3 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H59 | sing | 1.08Å | 1.08Å | |
| C25 | H62 | sing | 1.09Å | 1.10Å | |
| C25 | H63 | sing | 1.09Å | 1.10Å | |
| C27 | H67 | sing | 1.09Å | 1.10Å | |
| C27 | H66 | sing | 1.09Å | 1.10Å | |
| C29 | H71 | sing | 1.09Å | 1.10Å | |
| C29 | H70 | sing | 1.09Å | 1.10Å | |
| C30 | H72 | sing | 1.09Å | 1.10Å | |
| C30 | H73 | sing | 1.09Å | 1.10Å | |
| C31 | H74 | sing | 1.09Å | 1.10Å | |
| C31 | H75 | sing | 1.09Å | 1.10Å | |
| C32 | H77 | sing | 1.09Å | 1.10Å | |
| C32 | H76 | sing | 1.09Å | 1.10Å | |
| C33 | H78 | sing | 1.09Å | 1.10Å | |
| C35 | H79 | sing | 1.09Å | 1.10Å | |
| C35 | H80 | sing | 1.09Å | 1.10Å | |
| C36 | H81 | sing | 1.09Å | 1.10Å | |
| C37 | H84 | sing | 1.09Å | 1.10Å | |
| C37 | H83 | sing | 1.09Å | 1.10Å | |
| O46 | H85 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C16 | C6 | 117.2° | 119.6° |
| O46 | C16 | C5 | 122.0° | 119.5° |
| C16 | O46 | H85 | 109.5° | 114.0° |
| C6 | C16 | C5 | 120.7° | 120.9° |
| C16 | C6 | C14 | 121.8° | 120.5° |
| C16 | C6 | H56 | 119.1° | 119.7° |
| C16 | C5 | C11 | 120.3° | 119.9° |
| C16 | C5 | H55 | 119.8° | 120.1° |
| C6 | C14 | C19 | 117.4° | 120.2° |
| C6 | C14 | C13 | 119.4° | 119.5° |
| C14 | C6 | H56 | 119.1° | 119.7° |
| C5 | C11 | C13 | 119.9° | 119.5° |
| C5 | C11 | C3 | 121.1° | 120.9° |
| C11 | C5 | H55 | 119.8° | 120.0° |
| N39 | C7 | C9 | 116.1° | 114.5° |
| C7 | N39 | C21 | 110.1° | 117.2° |
| N39 | C7 | H57 | 122.0° | 122.8° |
| C7 | C9 | S51 | 110.0° | 107.9° |
| C9 | C7 | H57 | 121.9° | 122.7° |
| C7 | C9 | H59 | 124.9° | 126.0° |
| N39 | C21 | S51 | 114.4° | 110.1° |
| N39 | C21 | C35 | 123.1° | 125.0° |
| C19 | C14 | C13 | 122.0° | 120.3° |
| C14 | C19 | N38 | 117.7° | 119.3° |
| C14 | C19 | C18 | 122.6° | 119.3° |
| C14 | C13 | C11 | 117.8° | 119.6° |
| C14 | C13 | C10 | 124.4° | 121.0° |
| C19 | N38 | C8 | 118.5° | 122.6° |
| N38 | C19 | C18 | 119.7° | 121.4° |
| N38 | C8 | C12 | 125.5° | 120.1° |
| N38 | C8 | H58 | 117.2° | 120.0° |
| C13 | C11 | C3 | 119.1° | 119.5° |
| C11 | C13 | C10 | 117.7° | 119.4° |
| C11 | C3 | C4 | 121.8° | 120.2° |
| C11 | C3 | H53 | 119.1° | 119.9° |
| C19 | C18 | F49 | 119.2° | 120.8° |
| C19 | C18 | C15 | 123.5° | 118.4° |
| C9 | S51 | C21 | 89.4° | 90.3° |
| S51 | C9 | H59 | 125.0° | 126.1° |
| C8 | C12 | C15 | 115.8° | 119.2° |
| C8 | C12 | C20 | 128.2° | 122.6° |
| C12 | C8 | H58 | 117.3° | 119.9° |
| C13 | C10 | C2 | 119.4° | 120.4° |
| C13 | C10 | C17 | 119.5° | 119.3° |
| F49 | C18 | C15 | 117.3° | 120.8° |
| C18 | C15 | C12 | 117.0° | 118.2° |
| C18 | C15 | N40 | 119.5° | 122.8° |
| S51 | C21 | C35 | 121.9° | 124.9° |
| C21 | C35 | C36 | 114.6° | 109.5° |
| C21 | C35 | H79 | 108.2° | 109.5° |
| C21 | C35 | H80 | 108.2° | 109.4° |
| N44 | C27 | C24 | 104.0° | 105.1° |
| C27 | N44 | C32 | 117.0° | 109.4° |
| C27 | N44 | C34 | 107.1° | 108.4° |
| N44 | C27 | H67 | 110.8° | 110.3° |
| N44 | C27 | H66 | 110.8° | 110.3° |
| C27 | C24 | C25 | 103.1° | 101.6° |
| C27 | C24 | H61 | 111.1° | 111.0° |
| C27 | C24 | H60 | 111.1° | 111.1° |
| C24 | C27 | H67 | 110.8° | 110.3° |
| C24 | C27 | H66 | 110.8° | 110.3° |
| C3 | C4 | C17 | 119.1° | 121.1° |
| C3 | C4 | H54 | 120.5° | 119.4° |
| C4 | C3 | H53 | 119.1° | 120.0° |
| C15 | C12 | C20 | 115.8° | 118.2° |
| C12 | C15 | N40 | 123.1° | 119.0° |
| C12 | C20 | N42 | 123.5° | 120.9° |
| C12 | C20 | N41 | 120.2° | 118.2° |
| C15 | N40 | C22 | 114.3° | 120.3° |
| C32 | N44 | C34 | 107.5° | 108.4° |
| N44 | C32 | C33 | 103.5° | 105.1° |
| N44 | C32 | H77 | 110.9° | 110.3° |
| N44 | C32 | H76 | 110.9° | 110.4° |
| N44 | C34 | C37 | 110.3° | 111.4° |
| N44 | C34 | C25 | 104.0° | 107.3° |
| N44 | C34 | C26 | 104.0° | 107.3° |
| N42 | C20 | N41 | 115.5° | 120.9° |
| C20 | N42 | C29 | 116.2° | 111.0° |
| C20 | N42 | C28 | 123.4° | 111.0° |
| C20 | N41 | C22 | 118.5° | 121.5° |
| C32 | C33 | F50 | 107.7° | 111.0° |
| C32 | C33 | C26 | 105.6° | 101.7° |
| C33 | C32 | H77 | 110.9° | 110.3° |
| C33 | C32 | H76 | 111.0° | 110.3° |
| C32 | C33 | H78 | 111.2° | 111.0° |
| C29 | N42 | C28 | 116.3° | 111.2° |
| N42 | C29 | C31 | 109.9° | 109.3° |
| N42 | C29 | H71 | 109.4° | 109.5° |
| N42 | C29 | H70 | 109.4° | 109.5° |
| N42 | C28 | C30 | 111.3° | 109.4° |
| N42 | C28 | H69 | 109.0° | 109.4° |
| N42 | C28 | H68 | 109.0° | 109.5° |
| C24 | C25 | C34 | 105.0° | 102.9° |
| C25 | C24 | H61 | 111.0° | 110.9° |
| C25 | C24 | H60 | 111.0° | 111.0° |
| C24 | C25 | H62 | 110.6° | 110.7° |
| C24 | C25 | H63 | 110.6° | 110.8° |
| N40 | C22 | N41 | 127.8° | 122.9° |
| N40 | C22 | O47 | 113.3° | 118.6° |
| C35 | C36 | C23 | 111.4° | 109.5° |
| C35 | C36 | F1 | 119.4° | 109.5° |
| C36 | C35 | H79 | 108.2° | 109.5° |
| C36 | C35 | H80 | 108.2° | 109.5° |
| C35 | C36 | H81 | 105.3° | 109.5° |
| C29 | C31 | N43 | 110.1° | 108.5° |
| C31 | C29 | H71 | 109.4° | 109.6° |
| C31 | C29 | H70 | 109.4° | 109.5° |
| C29 | C31 | H74 | 109.3° | 109.7° |
| C29 | C31 | H75 | 109.3° | 109.7° |
| C31 | N43 | C30 | 116.5° | 118.2° |
| C31 | N43 | C23 | 123.8° | 120.9° |
| N43 | C31 | H74 | 109.3° | 109.6° |
| N43 | C31 | H75 | 109.3° | 109.6° |
| N41 | C22 | O47 | 118.7° | 118.6° |
| C22 | O47 | C37 | 117.6° | 117.0° |
| C28 | C30 | N43 | 110.8° | 108.5° |
| C30 | C28 | H69 | 109.0° | 109.5° |
| C30 | C28 | H68 | 109.0° | 109.5° |
| C28 | C30 | H72 | 109.1° | 109.6° |
| C28 | C30 | H73 | 109.1° | 109.6° |
| C2 | C10 | C17 | 121.0° | 120.4° |
| C10 | C2 | C1 | 174.2° | 180.0° |
| C10 | C17 | C4 | 122.7° | 120.6° |
| C10 | C17 | F48 | 118.3° | 119.7° |
| O47 | C37 | C34 | 107.5° | 109.5° |
| O47 | C37 | H84 | 109.9° | 109.5° |
| O47 | C37 | H83 | 109.9° | 109.5° |
| C4 | C17 | F48 | 118.9° | 119.7° |
| C17 | C4 | H54 | 120.4° | 119.5° |
| C2 | C1 | H52 | 180.0° | 179.9° |
| C37 | C34 | C25 | 111.9° | 110.7° |
| C37 | C34 | C26 | 112.8° | 110.7° |
| C34 | C37 | H84 | 110.0° | 109.5° |
| C34 | C37 | H83 | 110.0° | 109.5° |
| C25 | C34 | C26 | 113.3° | 109.3° |
| C34 | C25 | H62 | 110.6° | 110.7° |
| C34 | C25 | H63 | 110.6° | 110.9° |
| C34 | C26 | C33 | 106.2° | 102.9° |
| C34 | C26 | H65 | 110.3° | 110.7° |
| C34 | C26 | H64 | 110.3° | 110.8° |
| C30 | N43 | C23 | 119.4° | 120.9° |
| N43 | C30 | H72 | 109.1° | 109.6° |
| N43 | C30 | H73 | 109.2° | 109.8° |
| N43 | C23 | C36 | 117.0° | 120.0° |
| N43 | C23 | O45 | 121.2° | 120.0° |
| C36 | C23 | O45 | 121.8° | 120.0° |
| C23 | C36 | F1 | 111.3° | 109.5° |
| C23 | C36 | H81 | 105.2° | 109.4° |
| F50 | C33 | C26 | 108.5° | 111.0° |
| F50 | C33 | H78 | 112.5° | 110.9° |
| C33 | C26 | H65 | 110.3° | 110.7° |
| C33 | C26 | H64 | 110.3° | 110.9° |
| C26 | C33 | H78 | 111.1° | 111.0° |
| F1 | C36 | H81 | 102.6° | 109.5° |
| H61 | C24 | H60 | 109.5° | 110.9° |
| H65 | C26 | H64 | 109.5° | 110.6° |
| H69 | C28 | H68 | 109.5° | 109.5° |
| H62 | C25 | H63 | 109.5° | 110.6° |
| H67 | C27 | H66 | 109.4° | 110.4° |
| H71 | C29 | H70 | 109.4° | 109.5° |
| H72 | C30 | H73 | 109.4° | 109.7° |
| H74 | C31 | H75 | 109.4° | 109.8° |
| H77 | C32 | H76 | 109.5° | 110.3° |
| H79 | C35 | H80 | 109.5° | 109.4° |
| H84 | C37 | H83 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C16 | C6 | C5 | 176.8° | 179.1° |
| O46 | C16 | C6 | C14 | 177.3° | 180.0° |
| O46 | C16 | C5 | C11 | 176.6° | 179.7° |
| O46 | C16 | C5 | H55 | 3.4° | 0.4° |
| O46 | C16 | C6 | H56 | 2.7° | 0.1° |
| C16 | C6 | C14 | H56 | 180.0° | 179.9° |
| C6 | C16 | C5 | C11 | 0.0° | 0.6° |
| C16 | C6 | C14 | C19 | 165.8° | 180.0° |
| C16 | C6 | C14 | C13 | 2.2° | 0.7° |
| C6 | C16 | C5 | H55 | 180.0° | 179.4° |
| C6 | C16 | O46 | H85 | 180.0° | 90.0° |
| C5 | C16 | C6 | C14 | 0.6° | 0.9° |
| C16 | C5 | C11 | H55 | 180.0° | 179.9° |
| C16 | C5 | C11 | C13 | 1.2° | 0.1° |
| C16 | C5 | C11 | C3 | 179.7° | 180.0° |
| C5 | C16 | C6 | H56 | 179.5° | 179.1° |
| C5 | C16 | O46 | H85 | 3.3° | 89.1° |
| C6 | C14 | C19 | C13 | 167.7° | 179.4° |
| C6 | C14 | C19 | N38 | 75.2° | 92.0° |
| C6 | C14 | C13 | C11 | 3.3° | 0.1° |
| C6 | C14 | C19 | C18 | 105.1° | 87.7° |
| C6 | C14 | C13 | C10 | 173.8° | 179.9° |
| C5 | C11 | C13 | C14 | 2.8° | 0.2° |
| C5 | C11 | C13 | C3 | 179.2° | 179.9° |
| C5 | C11 | C13 | C10 | 174.5° | 179.7° |
| C5 | C11 | C3 | C4 | 177.0° | 180.0° |
| C5 | C11 | C3 | H53 | 3.0° | 0.0° |
| N39 | C7 | C9 | H57 | 180.0° | 179.6° |
| N39 | C7 | C9 | S51 | 0.1° | 0.1° |
| C7 | N39 | C21 | S51 | 0.6° | 0.0° |
| C7 | N39 | C21 | C35 | 170.5° | 179.9° |
| N39 | C7 | C9 | H59 | 179.9° | 180.0° |
| C9 | C7 | N39 | C21 | 0.4° | 0.0° |
| C7 | C9 | S51 | H59 | 180.0° | 179.9° |
| C7 | C9 | S51 | C21 | 0.2° | 0.1° |
| N39 | C21 | S51 | C9 | 0.4° | 0.0° |
| N39 | C21 | S51 | C35 | 171.2° | 179.9° |
| N39 | C21 | C35 | C36 | 149.5° | 89.9° |
| C21 | N39 | C7 | H57 | 179.6° | 179.7° |
| N39 | C21 | C35 | H79 | 28.8° | 150.1° |
| N39 | C21 | C35 | H80 | 89.7° | 30.1° |
| C14 | C19 | N38 | C18 | 179.8° | 179.7° |
| C14 | C19 | N38 | C8 | 179.3° | 179.7° |
| C19 | C14 | C13 | C11 | 164.2° | 179.5° |
| C19 | C14 | C13 | C10 | 18.7° | 0.7° |
| C14 | C19 | C18 | F49 | 3.8° | 0.0° |
| C14 | C19 | C18 | C15 | 179.3° | 179.6° |
| C19 | C14 | C6 | H56 | 14.1° | 0.0° |
| C13 | C14 | C19 | N38 | 117.1° | 88.6° |
| C14 | C13 | C11 | C10 | 177.3° | 179.8° |
| C14 | C13 | C11 | C3 | 178.1° | 179.8° |
| C13 | C14 | C19 | C18 | 62.7° | 91.6° |
| C14 | C13 | C10 | C2 | 6.4° | 0.1° |
| C14 | C13 | C10 | C17 | 177.9° | 179.5° |
| C13 | C14 | C6 | H56 | 177.8° | 179.4° |
| C19 | N38 | C8 | C12 | 0.0° | 0.0° |
| N38 | C19 | C18 | F49 | 176.0° | 179.7° |
| N38 | C19 | C18 | C15 | 0.9° | 0.7° |
| C19 | N38 | C8 | H58 | 180.0° | 179.7° |
| C8 | N38 | C19 | C18 | 0.5° | 0.5° |
| N38 | C8 | C12 | H58 | 180.0° | 179.8° |
| N38 | C8 | C12 | C15 | 1.8° | 0.2° |
| N38 | C8 | C12 | C20 | 176.4° | 179.8° |
| C13 | C11 | C3 | C4 | 2.1° | 0.1° |
| C11 | C13 | C10 | C2 | 170.7° | 180.0° |
| C11 | C13 | C10 | C17 | 5.0° | 0.7° |
| C13 | C11 | C5 | H55 | 178.8° | 180.0° |
| C13 | C11 | C3 | H53 | 177.9° | 180.0° |
| C3 | C11 | C13 | C10 | 4.6° | 0.4° |
| C11 | C3 | C4 | H53 | 180.0° | 180.0° |
| C11 | C3 | C4 | C17 | 0.1° | 0.0° |
| C11 | C3 | C4 | H54 | 179.9° | 179.7° |
| C3 | C11 | C5 | H55 | 0.3° | 0.0° |
| C19 | C18 | F49 | C15 | 177.1° | 179.6° |
| C19 | C18 | C15 | C12 | 2.7° | 0.4° |
| C19 | C18 | C15 | N40 | 170.3° | 179.6° |
| C9 | S51 | C21 | C35 | 170.8° | 179.9° |
| S51 | C9 | C7 | H57 | 179.9° | 179.7° |
| C8 | C12 | C15 | C18 | 2.9° | 0.0° |
| C8 | C12 | C15 | C20 | 175.3° | 180.0° |
| C8 | C12 | C15 | N40 | 169.8° | 180.0° |
| C8 | C12 | C20 | N42 | 22.2° | 0.0° |
| C8 | C12 | C20 | N41 | 168.3° | 180.0° |
| C13 | C10 | C2 | C17 | 175.7° | 179.3° |
| C13 | C10 | C17 | C4 | 2.9° | 0.7° |
| C13 | C10 | C2 | C1 | 152.5° | 11.6° |
| C13 | C10 | C17 | F48 | 179.3° | 179.4° |
| F49 | C18 | C15 | C12 | 174.3° | 180.0° |
| F49 | C18 | C15 | N40 | 12.7° | 0.0° |
| C18 | C15 | C12 | N40 | 172.8° | 180.0° |
| C18 | C15 | C12 | C20 | 178.2° | 180.0° |
| C18 | C15 | N40 | C22 | 174.5° | 180.0° |
| S51 | C21 | C35 | C36 | 40.0° | 90.0° |
| C21 | S51 | C9 | H59 | 179.8° | 180.0° |
| S51 | C21 | C35 | H79 | 160.8° | 30.1° |
| S51 | C21 | C35 | H80 | 80.7° | 150.0° |
| C21 | C35 | C36 | H79 | 120.8° | 120.0° |
| C21 | C35 | C36 | H80 | 120.7° | 120.0° |
| C21 | C35 | C36 | C23 | 163.5° | 175.0° |
| C21 | C35 | C36 | F1 | 64.6° | 65.0° |
| C21 | C35 | H79 | H80 | 117.7° | 119.9° |
| C21 | C35 | C36 | H81 | 49.9° | 55.0° |
| N44 | C27 | C24 | H67 | 119.1° | 118.9° |
| N44 | C27 | C24 | H66 | 119.1° | 118.8° |
| C27 | N44 | C32 | C34 | 120.5° | 118.0° |
| C27 | N44 | C32 | C33 | 90.9° | 140.8° |
| N44 | C27 | C24 | C25 | 40.3° | 36.7° |
| C27 | N44 | C34 | C37 | 123.4° | 120.7° |
| C27 | N44 | C34 | C25 | 3.4° | 0.6° |
| C27 | N44 | C34 | C26 | 115.4° | 118.0° |
| N44 | C27 | C24 | H61 | 78.6° | 154.7° |
| N44 | C27 | C24 | H60 | 159.3° | 81.4° |
| N44 | C27 | H67 | H66 | 122.5° | 122.2° |
| C27 | N44 | C32 | H77 | 28.2° | 100.3° |
| C27 | N44 | C32 | H76 | 150.0° | 21.9° |
| C24 | C27 | N44 | C32 | 147.9° | 140.8° |
| C24 | C27 | N44 | C34 | 27.3° | 22.8° |
| C27 | C24 | C25 | H61 | 119.0° | 118.0° |
| C27 | C24 | C25 | H60 | 119.0° | 118.2° |
| C27 | C24 | C25 | C34 | 38.6° | 36.2° |
| C27 | C24 | H61 | H60 | 123.0° | 124.0° |
| C27 | C24 | C25 | H62 | 157.9° | 154.5° |
| C27 | C24 | C25 | H63 | 80.7° | 82.4° |
| C24 | C27 | H67 | H66 | 122.5° | 122.2° |
| C3 | C4 | C17 | C10 | 0.2° | 0.3° |
| C3 | C4 | C17 | H54 | 180.0° | 179.7° |
| C3 | C4 | C17 | F48 | 176.7° | 179.7° |
| C15 | C12 | C20 | N42 | 163.2° | 180.0° |
| C15 | C12 | C20 | N41 | 6.3° | 0.0° |
| C12 | C15 | N40 | C22 | 1.9° | 0.0° |
| C15 | C12 | C8 | H58 | 178.2° | 180.0° |
| C20 | C12 | C15 | N40 | 5.5° | 0.0° |
| C12 | C20 | N42 | N41 | 169.9° | 180.0° |
| C12 | C20 | N42 | C29 | 176.1° | 118.6° |
| C12 | C20 | N42 | C28 | 27.6° | 117.2° |
| C12 | C20 | N41 | C22 | 3.6° | 0.0° |
| C20 | C12 | C8 | H58 | 3.6° | 0.0° |
| C15 | N40 | C22 | N41 | 1.3° | 0.1° |
| C15 | N40 | C22 | O47 | 173.4° | 180.0° |
| N44 | C32 | C33 | H77 | 119.0° | 118.9° |
| N44 | C32 | C33 | H76 | 119.1° | 119.0° |
| C32 | N44 | C34 | C37 | 110.0° | 120.6° |
| C32 | N44 | C34 | C25 | 129.9° | 118.0° |
| C32 | N44 | C34 | C26 | 11.1° | 0.6° |
| N44 | C32 | C33 | F50 | 78.7° | 154.7° |
| N44 | C32 | C33 | C26 | 37.0° | 36.7° |
| C32 | N44 | C27 | H67 | 92.9° | 21.9° |
| C32 | N44 | C27 | H66 | 28.8° | 100.3° |
| N44 | C32 | H77 | H76 | 122.8° | 122.2° |
| N44 | C32 | C33 | H78 | 157.6° | 81.4° |
| C34 | N44 | C32 | C33 | 29.6° | 22.8° |
| N44 | C34 | C25 | C24 | 21.3° | 23.6° |
| N44 | C34 | C37 | O47 | 59.7° | 179.7° |
| N44 | C34 | C37 | C25 | 115.2° | 119.3° |
| N44 | C34 | C37 | C26 | 115.7° | 119.3° |
| N44 | C34 | C25 | C26 | 112.2° | 116.0° |
| N44 | C34 | C26 | C33 | 11.6° | 23.5° |
| N44 | C34 | C26 | H65 | 107.9° | 94.8° |
| N44 | C34 | C26 | H64 | 131.1° | 142.1° |
| N44 | C34 | C25 | H62 | 140.6° | 141.9° |
| N44 | C34 | C25 | H63 | 98.0° | 94.9° |
| C34 | N44 | C27 | H67 | 146.4° | 96.1° |
| C34 | N44 | C27 | H66 | 91.9° | 141.7° |
| C34 | N44 | C32 | H77 | 148.6° | 141.7° |
| C34 | N44 | C32 | H76 | 89.5° | 96.1° |
| N44 | C34 | C37 | H84 | 179.4° | 59.7° |
| N44 | C34 | C37 | H83 | 60.0° | 60.3° |
| C20 | N42 | C29 | C28 | 158.0° | 124.2° |
| C20 | N42 | C29 | C31 | 167.1° | 172.7° |
| N42 | C20 | N41 | C22 | 166.7° | 179.9° |
| C20 | N42 | C28 | C30 | 133.3° | 172.7° |
| C20 | N42 | C28 | H69 | 13.1° | 52.8° |
| C20 | N42 | C28 | H68 | 106.4° | 67.3° |
| C20 | N42 | C29 | H71 | 47.0° | 67.2° |
| C20 | N42 | C29 | H70 | 72.8° | 52.8° |
| N41 | C20 | N42 | C29 | 13.9° | 61.5° |
| N41 | C20 | N42 | C28 | 142.3° | 62.8° |
| C20 | N41 | C22 | N40 | 0.4° | 0.1° |
| C20 | N41 | C22 | O47 | 174.1° | 179.9° |
| C32 | C33 | C26 | C34 | 30.5° | 36.1° |
| C32 | C33 | F50 | C26 | 113.9° | 112.3° |
| C32 | C33 | F50 | H78 | 122.8° | 123.9° |
| C32 | C33 | C26 | H78 | 120.6° | 118.1° |
| C32 | C33 | C26 | H65 | 89.0° | 82.2° |
| C32 | C33 | C26 | H64 | 150.0° | 154.6° |
| C33 | C32 | H77 | H76 | 122.8° | 122.1° |
| N42 | C29 | C31 | H71 | 120.1° | 120.0° |
| N42 | C29 | C31 | H70 | 120.1° | 119.9° |
| N42 | C29 | C31 | N43 | 62.8° | 53.9° |
| C29 | N42 | C28 | C30 | 22.9° | 63.1° |
| C29 | N42 | C28 | H69 | 143.2° | 176.9° |
| C29 | N42 | C28 | H68 | 97.4° | 56.9° |
| N42 | C29 | H71 | H70 | 119.8° | 120.0° |
| N42 | C29 | C31 | H74 | 57.2° | 65.8° |
| N42 | C29 | C31 | H75 | 177.0° | 173.5° |
| C28 | N42 | C29 | C31 | 34.9° | 63.1° |
| N42 | C28 | C30 | H69 | 120.3° | 119.9° |
| N42 | C28 | C30 | H68 | 120.3° | 119.9° |
| N42 | C28 | C30 | N43 | 54.7° | 53.8° |
| N42 | C28 | H69 | H68 | 119.2° | 120.0° |
| C28 | N42 | C29 | H71 | 155.0° | 56.9° |
| C28 | N42 | C29 | H70 | 85.2° | 177.0° |
| N42 | C28 | C30 | H72 | 65.5° | 173.5° |
| N42 | C28 | C30 | H73 | 175.0° | 66.0° |
| C24 | C25 | C34 | C37 | 97.7° | 98.2° |
| C24 | C25 | C34 | H62 | 119.3° | 118.4° |
| C24 | C25 | C34 | H63 | 119.3° | 118.5° |
| C24 | C25 | C34 | C26 | 133.5° | 139.6° |
| C25 | C24 | H61 | H60 | 122.9° | 123.8° |
| C24 | C25 | H62 | H63 | 122.1° | 123.2° |
| C25 | C24 | C27 | H67 | 159.5° | 82.2° |
| C25 | C24 | C27 | H66 | 78.8° | 155.5° |
| N40 | C22 | N41 | O47 | 174.4° | 180.0° |
| N40 | C22 | O47 | C37 | 176.3° | 0.0° |
| C35 | C36 | C23 | N43 | 87.6° | 136.1° |
| C35 | C36 | C23 | F1 | 135.9° | 120.0° |
| C35 | C36 | C23 | H81 | 113.7° | 120.0° |
| C35 | C36 | C23 | O45 | 93.5° | 44.0° |
| C35 | C36 | F1 | H81 | 115.9° | 120.0° |
| C36 | C35 | H79 | H80 | 117.7° | 120.0° |
| C29 | C31 | N43 | H74 | 120.1° | 119.8° |
| C29 | C31 | N43 | H75 | 120.1° | 119.7° |
| C29 | C31 | N43 | C30 | 30.4° | 51.2° |
| C29 | C31 | N43 | C23 | 144.2° | 128.8° |
| C31 | C29 | H71 | H70 | 119.8° | 120.1° |
| C29 | C31 | H74 | H75 | 119.7° | 120.6° |
| C31 | N43 | C30 | C28 | 27.1° | 51.2° |
| C31 | N43 | C30 | C23 | 174.9° | 180.0° |
| C31 | N43 | C23 | C36 | 11.8° | 5.5° |
| C31 | N43 | C23 | O45 | 167.1° | 174.5° |
| N43 | C31 | C29 | H71 | 177.1° | 66.1° |
| N43 | C31 | C29 | H70 | 57.2° | 173.8° |
| C31 | N43 | C30 | H72 | 93.1° | 170.9° |
| C31 | N43 | C30 | H73 | 147.4° | 68.6° |
| N43 | C31 | H74 | H75 | 119.7° | 120.4° |
| N41 | C22 | O47 | C37 | 8.5° | 179.9° |
| C22 | O47 | C37 | C34 | 174.1° | 180.0° |
| C22 | O47 | C37 | H84 | 66.2° | 60.0° |
| C22 | O47 | C37 | H83 | 54.4° | 60.0° |
| C28 | C30 | N43 | H72 | 120.2° | 119.7° |
| C28 | C30 | N43 | H73 | 120.2° | 119.8° |
| C28 | C30 | N43 | C23 | 158.0° | 128.9° |
| C30 | C28 | H69 | H68 | 119.2° | 120.1° |
| C28 | C30 | H72 | H73 | 119.4° | 120.4° |
| C2 | C10 | C17 | C4 | 172.8° | 180.0° |
| C2 | C10 | C17 | F48 | 3.7° | 0.0° |
| C10 | C2 | C1 | H52 | 131.2° | 158.9° |
| C10 | C17 | C4 | F48 | 176.4° | 180.0° |
| C17 | C10 | C2 | C1 | 23.2° | 167.8° |
| C10 | C17 | C4 | H54 | 179.8° | 180.0° |
| O47 | C37 | C34 | H84 | 119.7° | 120.0° |
| O47 | C37 | C34 | H83 | 119.7° | 120.0° |
| O47 | C37 | C34 | C25 | 174.9° | 61.0° |
| O47 | C37 | C34 | C26 | 56.0° | 60.4° |
| O47 | C37 | H84 | H83 | 120.9° | 120.0° |
| C17 | C4 | C3 | H53 | 179.9° | 180.0° |
| C37 | C34 | C25 | C26 | 128.8° | 122.2° |
| C37 | C34 | C26 | C33 | 131.1° | 98.2° |
| C37 | C34 | C26 | H65 | 11.6° | 143.5° |
| C37 | C34 | C26 | H64 | 109.4° | 20.4° |
| C37 | C34 | C25 | H62 | 21.6° | 20.2° |
| C37 | C34 | C25 | H63 | 143.1° | 143.4° |
| C34 | C37 | H84 | H83 | 120.9° | 120.0° |
| C25 | C34 | C26 | C33 | 100.5° | 139.6° |
| C34 | C25 | C24 | H61 | 80.4° | 154.2° |
| C34 | C25 | C24 | H60 | 157.6° | 82.0° |
| C25 | C34 | C26 | H65 | 140.0° | 21.2° |
| C25 | C34 | C26 | H64 | 18.9° | 101.9° |
| C34 | C25 | H62 | H63 | 122.1° | 123.3° |
| C25 | C34 | C37 | H84 | 65.5° | 179.0° |
| C25 | C34 | C37 | H83 | 55.1° | 59.0° |
| C34 | C26 | C33 | F50 | 84.8° | 154.2° |
| C34 | C26 | C33 | H65 | 119.5° | 118.3° |
| C34 | C26 | C33 | H64 | 119.5° | 118.5° |
| C34 | C26 | H65 | H64 | 121.5° | 123.2° |
| C26 | C34 | C25 | H62 | 107.3° | 102.0° |
| C26 | C34 | C25 | H63 | 14.2° | 21.1° |
| C34 | C26 | C33 | H78 | 151.1° | 82.0° |
| C26 | C34 | C37 | H84 | 63.7° | 59.6° |
| C26 | C34 | C37 | H83 | 175.7° | 179.5° |
| C30 | N43 | C23 | C36 | 173.7° | 174.4° |
| C30 | N43 | C23 | O45 | 7.4° | 5.6° |
| N43 | C30 | C28 | H69 | 175.0° | 173.8° |
| N43 | C30 | C28 | H68 | 65.5° | 66.1° |
| N43 | C30 | H72 | H73 | 119.4° | 120.6° |
| C30 | N43 | C31 | H74 | 89.7° | 68.5° |
| C30 | N43 | C31 | H75 | 150.5° | 170.9° |
| N43 | C23 | C36 | O45 | 178.9° | 180.0° |
| N43 | C23 | C36 | F1 | 136.5° | 104.0° |
| C23 | N43 | C30 | H72 | 81.8° | 9.1° |
| C23 | N43 | C30 | H73 | 37.8° | 111.4° |
| C23 | N43 | C31 | H74 | 95.7° | 111.4° |
| C23 | N43 | C31 | H75 | 24.1° | 9.1° |
| N43 | C23 | C36 | H81 | 26.1° | 16.1° |
| F48 | C17 | C4 | H54 | 3.3° | 0.0° |
| C23 | C36 | F1 | H81 | 112.1° | 120.0° |
| C23 | C36 | C35 | H79 | 42.7° | 55.0° |
| C23 | C36 | C35 | H80 | 75.8° | 65.0° |
| F50 | C33 | C26 | H78 | 124.1° | 123.8° |
| F50 | C33 | C26 | H65 | 155.7° | 35.9° |
| F50 | C33 | C26 | H64 | 34.7° | 87.3° |
| F50 | C33 | C32 | H77 | 40.3° | 86.3° |
| F50 | C33 | C32 | H76 | 162.2° | 35.7° |
| C33 | C26 | H65 | H64 | 121.5° | 123.4° |
| C26 | C33 | C32 | H77 | 156.1° | 155.6° |
| C26 | C33 | C32 | H76 | 82.0° | 82.4° |
| O45 | C23 | C36 | F1 | 42.4° | 76.0° |
| O45 | C23 | C36 | H81 | 152.8° | 164.0° |
| F1 | C36 | C35 | H79 | 174.7° | 175.0° |
| F1 | C36 | C35 | H80 | 56.2° | 55.0° |
| H54 | C4 | C3 | H53 | 0.1° | 0.3° |
| H57 | C7 | C9 | H59 | 0.1° | 0.4° |
| H61 | C24 | C25 | H62 | 38.9° | 87.4° |
| H61 | C24 | C25 | H63 | 160.3° | 35.7° |
| H61 | C24 | C27 | H67 | 40.5° | 35.8° |
| H61 | C24 | C27 | H66 | 162.2° | 86.5° |
| H60 | C24 | C25 | H62 | 83.2° | 36.3° |
| H60 | C24 | C25 | H63 | 38.3° | 159.4° |
| H60 | C24 | C27 | H67 | 81.6° | 159.7° |
| H60 | C24 | C27 | H66 | 40.2° | 37.4° |
| H65 | C26 | C33 | H78 | 31.6° | 159.7° |
| H64 | C26 | C33 | H78 | 89.4° | 36.5° |
| H69 | C28 | C30 | H72 | 54.8° | 66.5° |
| H69 | C28 | C30 | H73 | 64.7° | 53.9° |
| H68 | C28 | C30 | H72 | 174.3° | 53.6° |
| H68 | C28 | C30 | H73 | 54.7° | 174.0° |
| H71 | C29 | C31 | H74 | 62.8° | 174.2° |
| H71 | C29 | C31 | H75 | 57.0° | 53.5° |
| H70 | C29 | C31 | H74 | 177.3° | 54.1° |
| H70 | C29 | C31 | H75 | 62.9° | 66.6° |
| H77 | C32 | C33 | H78 | 83.4° | 37.5° |
| H76 | C32 | C33 | H78 | 38.5° | 159.5° |
| H79 | C35 | C36 | H81 | 70.9° | 65.0° |
| H80 | C35 | C36 | H81 | 170.6° | 175.0° |
