70C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C39 | sing | 1.53Å | 1.55Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C39 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C28 | sing | 1.51Å | 1.54Å | |
| C39 | C41 | sing | 1.51Å | 1.59Å | |
| C30 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | O48 | doub | 1.21Å | 1.22Å | |
| C41 | O47 | sing | 1.34Å | 1.30Å | |
| C31 | N33 | sing | 1.41Å | 1.42Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.50Å | 1.51Å | |
| N33 | C35 | sing | 1.36Å | 1.36Å | |
| C26 | N25 | sing | 1.48Å | 1.46Å | |
| O24 | C13 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C35 | O34 | sing | 1.35Å | 1.35Å | |
| C35 | O36 | doub | 1.22Å | 1.21Å | |
| O34 | C2 | sing | 1.45Å | 1.45Å | |
| C13 | N25 | sing | 1.36Å | 1.35Å | |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| N25 | C37 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| N12 | C10 | sing | 1.46Å | 1.45Å | |
| N12 | C14 | sing | 1.40Å | 1.39Å | |
| C10 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C11 | sing | 1.53Å | 1.54Å | |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| C17 | C23 | sing | 1.41Å | 1.45Å | Aromatic |
| C16 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| N38 | C23 | sing | 1.39Å | 1.35Å | |
| C23 | N22 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | F40 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | doub | 1.36Å | 1.40Å | Aromatic |
| N22 | C21 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | H64 | sing | 1.08Å | 1.08Å | |
| C15 | H63 | sing | 1.08Å | 1.08Å | |
| C19 | H65 | sing | 1.08Å | 1.08Å | |
| C21 | H66 | sing | 1.08Å | 1.08Å | |
| C11 | H60 | sing | 1.09Å | 1.10Å | |
| C11 | H59 | sing | 1.09Å | 1.10Å | |
| C11 | H61 | sing | 1.09Å | 1.10Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C2 | H50 | sing | 1.09Å | 1.10Å | |
| C2 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H52 | sing | 1.08Å | 1.08Å | |
| C5 | H53 | sing | 1.08Å | 1.08Å | |
| C7 | H54 | sing | 1.08Å | 1.08Å | |
| C9 | H55 | sing | 1.09Å | 1.10Å | |
| C9 | H57 | sing | 1.09Å | 1.10Å | |
| C9 | H56 | sing | 1.09Å | 1.10Å | |
| C10 | H58 | sing | 1.10Å | 1.10Å | |
| N12 | H62 | sing | 0.97Å | 1.00Å | |
| C26 | H68 | sing | 1.09Å | 1.10Å | |
| C26 | H67 | sing | 1.09Å | 1.10Å | |
| C29 | H69 | sing | 1.08Å | 1.08Å | |
| C30 | H70 | sing | 1.08Å | 1.08Å | |
| C32 | H71 | sing | 1.08Å | 1.08Å | |
| N33 | H72 | sing | 0.98Å | 1.00Å | |
| C37 | H75 | sing | 1.09Å | 1.10Å | |
| C37 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H73 | sing | 1.09Å | 1.10Å | |
| N38 | H76 | sing | 0.97Å | 1.00Å | |
| N38 | H77 | sing | 0.97Å | 1.00Å | |
| C42 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H79 | sing | 1.09Å | 1.10Å | |
| C43 | H80 | sing | 1.09Å | 1.10Å | |
| C43 | H81 | sing | 1.09Å | 1.10Å | |
| C44 | H83 | sing | 1.09Å | 1.10Å | |
| C44 | H82 | sing | 1.09Å | 1.10Å | |
| C45 | H84 | sing | 1.09Å | 1.10Å | |
| C45 | H85 | sing | 1.09Å | 1.10Å | |
| C46 | H86 | sing | 1.09Å | 1.10Å | |
| C46 | H87 | sing | 1.09Å | 1.10Å | |
| O47 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C44 | C45 | 111.3° | 109.4° |
| C44 | C43 | C42 | 110.8° | 109.5° |
| C44 | C43 | H80 | 109.1° | 109.4° |
| C44 | C43 | H81 | 109.1° | 109.5° |
| C43 | C44 | H83 | 109.0° | 109.5° |
| C43 | C44 | H82 | 109.0° | 109.5° |
| C44 | C45 | C46 | 112.2° | 109.5° |
| C45 | C44 | H83 | 109.0° | 109.5° |
| C45 | C44 | H82 | 109.0° | 109.5° |
| C44 | C45 | H84 | 108.8° | 109.4° |
| C44 | C45 | H85 | 108.8° | 109.4° |
| C43 | C42 | C39 | 112.6° | 109.4° |
| C43 | C42 | H78 | 108.7° | 109.5° |
| C43 | C42 | H79 | 108.7° | 109.5° |
| C42 | C43 | H80 | 109.1° | 109.5° |
| C42 | C43 | H81 | 109.1° | 109.5° |
| C42 | C39 | C46 | 106.7° | 109.5° |
| C42 | C39 | C28 | 114.6° | 109.5° |
| C42 | C39 | C41 | 105.5° | 109.5° |
| C39 | C42 | H78 | 108.7° | 109.4° |
| C39 | C42 | H79 | 108.7° | 109.5° |
| C45 | C46 | C39 | 114.7° | 109.5° |
| C46 | C45 | H84 | 108.8° | 109.6° |
| C46 | C45 | H85 | 108.8° | 109.5° |
| C45 | C46 | H86 | 108.2° | 109.4° |
| C45 | C46 | H87 | 108.1° | 109.5° |
| C46 | C39 | C28 | 108.6° | 109.4° |
| C46 | C39 | C41 | 115.2° | 109.5° |
| C39 | C46 | H86 | 108.1° | 109.5° |
| C39 | C46 | H87 | 108.2° | 109.5° |
| C30 | C29 | C28 | 122.3° | 120.1° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H69 | 118.8° | 120.0° |
| C29 | C30 | H70 | 120.0° | 120.2° |
| C29 | C28 | C39 | 118.7° | 119.1° |
| C29 | C28 | C27 | 117.9° | 120.4° |
| C28 | C29 | H69 | 118.8° | 119.8° |
| C28 | C39 | C41 | 106.5° | 109.5° |
| C39 | C28 | C27 | 123.3° | 120.5° |
| C39 | C41 | O48 | 122.4° | 120.0° |
| C39 | C41 | O47 | 116.1° | 120.0° |
| C30 | C31 | N33 | 118.3° | 117.9° |
| C30 | C31 | C32 | 118.7° | 119.5° |
| C31 | C30 | H70 | 120.0° | 119.8° |
| C28 | C27 | C32 | 119.3° | 119.3° |
| C28 | C27 | C26 | 123.1° | 119.1° |
| O48 | C41 | O47 | 121.5° | 120.0° |
| C41 | O47 | H1 | 109.5° | 117.0° |
| N33 | C31 | C32 | 123.0° | 122.6° |
| C31 | N33 | C35 | 127.0° | 119.4° |
| C31 | N33 | H72 | 116.5° | 120.3° |
| C31 | C32 | C27 | 121.6° | 120.6° |
| C31 | C32 | H71 | 119.2° | 119.5° |
| C32 | C27 | C26 | 117.6° | 121.6° |
| C27 | C32 | H71 | 119.2° | 119.8° |
| C27 | C26 | N25 | 113.3° | 111.0° |
| C27 | C26 | H68 | 108.5° | 110.0° |
| C27 | C26 | H67 | 108.5° | 109.5° |
| N33 | C35 | O34 | 109.9° | 116.2° |
| N33 | C35 | O36 | 125.6° | 122.4° |
| C35 | N33 | H72 | 116.5° | 120.3° |
| C26 | N25 | C13 | 117.8° | 115.0° |
| C26 | N25 | C37 | 116.3° | 120.4° |
| N25 | C26 | H68 | 108.5° | 107.8° |
| N25 | C26 | H67 | 108.5° | 109.3° |
| O24 | C13 | N25 | 121.0° | 119.0° |
| O24 | C13 | C10 | 118.4° | 118.4° |
| C9 | C8 | C7 | 118.1° | 118.4° |
| C9 | C8 | C3 | 122.9° | 121.3° |
| C8 | C9 | H55 | 109.5° | 109.5° |
| C8 | C9 | H57 | 109.5° | 109.4° |
| C8 | C9 | H56 | 109.5° | 109.5° |
| O34 | C35 | O36 | 124.4° | 121.4° |
| C35 | O34 | C2 | 116.2° | 119.0° |
| O34 | C2 | C1 | 110.7° | 110.7° |
| O34 | C2 | H50 | 109.2° | 109.5° |
| O34 | C2 | H51 | 109.2° | 109.2° |
| N25 | C13 | C10 | 120.6° | 122.5° |
| C13 | N25 | C37 | 125.7° | 124.6° |
| C13 | C10 | N12 | 106.3° | 111.8° |
| C13 | C10 | C6 | 111.0° | 109.0° |
| C13 | C10 | H58 | 108.5° | 108.0° |
| N25 | C37 | H75 | 109.5° | 109.5° |
| N25 | C37 | H74 | 109.5° | 109.4° |
| N25 | C37 | H73 | 109.5° | 109.4° |
| C8 | C7 | C6 | 122.1° | 120.3° |
| C7 | C8 | C3 | 119.0° | 120.4° |
| C8 | C7 | H54 | 118.9° | 118.5° |
| C7 | C6 | C10 | 120.1° | 122.0° |
| C7 | C6 | C5 | 118.2° | 119.5° |
| C6 | C7 | H54 | 119.0° | 121.2° |
| C8 | C3 | C1 | 121.5° | 120.5° |
| C8 | C3 | C4 | 118.9° | 119.2° |
| C2 | C1 | C3 | 114.0° | 108.8° |
| C2 | C1 | C11 | 108.9° | 109.7° |
| C2 | C1 | H49 | 106.7° | 109.2° |
| C1 | C2 | H50 | 109.2° | 109.5° |
| C1 | C2 | H51 | 109.2° | 109.1° |
| C10 | N12 | C14 | 124.1° | 119.9° |
| N12 | C10 | C6 | 113.2° | 112.0° |
| N12 | C10 | H58 | 109.4° | 108.0° |
| C10 | N12 | H62 | 105.7° | 120.0° |
| N12 | C14 | C19 | 117.6° | 119.7° |
| N12 | C14 | C15 | 122.5° | 119.6° |
| C14 | N12 | H62 | 105.7° | 120.0° |
| C10 | C6 | C5 | 121.5° | 118.6° |
| C6 | C10 | H58 | 108.4° | 107.8° |
| C6 | C5 | C4 | 120.8° | 120.3° |
| C6 | C5 | H53 | 119.6° | 119.7° |
| C1 | C3 | C4 | 119.6° | 120.4° |
| C3 | C1 | C11 | 112.4° | 110.8° |
| C3 | C1 | H49 | 107.2° | 110.6° |
| C3 | C4 | C5 | 121.0° | 120.4° |
| C3 | C4 | H52 | 119.5° | 121.2° |
| C1 | C11 | H60 | 109.5° | 109.5° |
| C1 | C11 | H59 | 109.5° | 109.5° |
| C1 | C11 | H61 | 109.5° | 109.5° |
| C11 | C1 | H49 | 107.1° | 107.8° |
| C14 | C19 | C18 | 121.4° | 120.9° |
| C19 | C14 | C15 | 119.8° | 120.7° |
| C14 | C19 | H65 | 119.3° | 119.5° |
| C19 | C18 | C17 | 120.9° | 119.8° |
| C19 | C18 | H64 | 119.5° | 120.1° |
| C18 | C19 | H65 | 119.3° | 119.5° |
| C14 | C15 | C16 | 120.5° | 119.3° |
| C14 | C15 | H63 | 119.7° | 120.4° |
| C5 | C4 | H52 | 119.5° | 118.3° |
| C4 | C5 | H53 | 119.6° | 120.0° |
| C18 | C17 | C16 | 118.1° | 119.6° |
| C18 | C17 | C23 | 123.8° | 121.9° |
| C17 | C18 | H64 | 119.6° | 120.1° |
| C15 | C16 | C17 | 119.1° | 119.7° |
| C15 | C16 | C20 | 122.8° | 122.1° |
| C16 | C15 | H63 | 119.7° | 120.3° |
| C16 | C17 | C23 | 118.0° | 118.5° |
| C17 | C16 | C20 | 118.1° | 118.3° |
| C17 | C23 | N38 | 122.2° | 120.1° |
| C17 | C23 | N22 | 121.6° | 119.8° |
| C16 | C20 | F40 | 120.8° | 120.6° |
| C16 | C20 | C21 | 119.0° | 118.8° |
| N38 | C23 | N22 | 116.2° | 120.0° |
| C23 | N38 | H76 | 109.5° | 120.0° |
| C23 | N38 | H77 | 109.5° | 120.1° |
| C23 | N22 | C21 | 119.5° | 122.7° |
| F40 | C20 | C21 | 120.0° | 120.6° |
| C20 | C21 | N22 | 123.7° | 122.0° |
| C20 | C21 | H66 | 118.2° | 119.0° |
| N22 | C21 | H66 | 118.2° | 119.1° |
| H60 | C11 | H59 | 109.5° | 109.5° |
| H60 | C11 | H61 | 109.5° | 109.4° |
| H59 | C11 | H61 | 109.5° | 109.5° |
| H50 | C2 | H51 | 109.5° | 108.8° |
| H55 | C9 | H57 | 109.5° | 109.5° |
| H55 | C9 | H56 | 109.5° | 109.5° |
| H57 | C9 | H56 | 109.5° | 109.5° |
| H68 | C26 | H67 | 109.5° | 109.2° |
| H75 | C37 | H74 | 109.5° | 109.5° |
| H75 | C37 | H73 | 109.4° | 109.5° |
| H74 | C37 | H73 | 109.5° | 109.5° |
| H76 | N38 | H77 | 109.4° | 119.9° |
| H78 | C42 | H79 | 109.5° | 109.5° |
| H80 | C43 | H81 | 109.5° | 109.4° |
| H83 | C44 | H82 | 109.5° | 109.5° |
| H84 | C45 | H85 | 109.4° | 109.4° |
| H86 | C46 | H87 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C44 | C45 | H83 | 120.3° | 120.0° |
| C43 | C44 | C45 | H82 | 120.3° | 120.0° |
| C44 | C43 | C42 | H80 | 120.2° | 120.0° |
| C44 | C43 | C42 | H81 | 120.2° | 120.1° |
| C44 | C43 | C42 | C39 | 60.2° | 60.0° |
| C43 | C44 | C45 | C46 | 51.5° | 60.0° |
| C44 | C43 | C42 | H78 | 179.3° | 59.9° |
| C44 | C43 | C42 | H79 | 60.2° | 180.0° |
| C44 | C43 | H80 | H81 | 119.4° | 120.0° |
| C43 | C44 | H83 | H82 | 119.2° | 120.0° |
| C43 | C44 | C45 | H84 | 171.9° | 180.0° |
| C43 | C44 | C45 | H85 | 68.9° | 60.0° |
| C45 | C44 | C43 | C42 | 55.6° | 60.0° |
| C44 | C45 | C46 | H84 | 120.4° | 120.0° |
| C44 | C45 | C46 | H85 | 120.4° | 120.0° |
| C44 | C45 | C46 | C39 | 52.2° | 60.0° |
| C45 | C44 | C43 | H80 | 64.6° | 180.0° |
| C45 | C44 | C43 | H81 | 175.8° | 60.0° |
| C45 | C44 | H83 | H82 | 119.2° | 120.0° |
| C44 | C45 | H84 | H85 | 118.8° | 119.9° |
| C44 | C45 | C46 | H86 | 68.6° | 180.0° |
| C44 | C45 | C46 | H87 | 172.9° | 60.0° |
| C43 | C42 | C39 | H78 | 120.5° | 120.0° |
| C43 | C42 | C39 | H79 | 120.5° | 120.0° |
| C43 | C42 | C39 | C46 | 56.7° | 60.0° |
| C43 | C42 | C39 | C28 | 176.9° | 180.0° |
| C43 | C42 | C39 | C41 | 66.3° | 60.0° |
| C43 | C42 | H78 | H79 | 118.6° | 120.1° |
| C42 | C43 | H80 | H81 | 119.4° | 120.0° |
| C42 | C43 | C44 | H83 | 64.6° | 60.0° |
| C42 | C43 | C44 | H82 | 175.9° | 180.0° |
| C42 | C39 | C46 | C45 | 52.9° | 60.0° |
| C42 | C39 | C46 | C28 | 124.0° | 120.0° |
| C42 | C39 | C46 | C41 | 116.7° | 120.0° |
| C42 | C39 | C28 | C29 | 17.0° | 115.7° |
| C42 | C39 | C28 | C41 | 116.2° | 120.0° |
| C42 | C39 | C28 | C27 | 166.1° | 63.9° |
| C42 | C39 | C41 | O48 | 72.2° | 0.5° |
| C42 | C39 | C41 | O47 | 111.2° | 179.6° |
| C39 | C42 | H78 | H79 | 118.6° | 120.0° |
| C39 | C42 | C43 | H80 | 60.0° | 180.0° |
| C39 | C42 | C43 | H81 | 179.6° | 60.1° |
| C42 | C39 | C46 | H86 | 67.8° | 180.0° |
| C42 | C39 | C46 | H87 | 173.7° | 60.0° |
| C45 | C46 | C39 | H86 | 120.8° | 120.0° |
| C45 | C46 | C39 | H87 | 120.8° | 120.0° |
| C45 | C46 | C39 | C28 | 176.9° | 180.0° |
| C45 | C46 | C39 | C41 | 63.8° | 60.0° |
| C46 | C45 | C44 | H83 | 68.7° | 60.0° |
| C46 | C45 | C44 | H82 | 171.8° | 179.9° |
| C46 | C45 | H84 | H85 | 118.8° | 120.1° |
| C45 | C46 | H86 | H87 | 117.6° | 119.9° |
| C46 | C39 | C28 | C29 | 102.1° | 4.3° |
| C46 | C39 | C28 | C41 | 124.7° | 120.0° |
| C46 | C39 | C28 | C27 | 74.7° | 176.1° |
| C46 | C39 | C41 | O48 | 170.4° | 119.6° |
| C46 | C39 | C41 | O47 | 6.2° | 60.4° |
| C46 | C39 | C42 | H78 | 177.2° | 59.9° |
| C46 | C39 | C42 | H79 | 63.8° | 180.0° |
| C39 | C46 | C45 | H84 | 172.6° | 180.0° |
| C39 | C46 | C45 | H85 | 68.3° | 59.9° |
| C39 | C46 | H86 | H87 | 117.6° | 120.1° |
| C30 | C29 | C28 | H69 | 180.0° | 179.8° |
| C30 | C29 | C28 | C39 | 176.2° | 179.5° |
| C29 | C30 | C31 | H70 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.8° | 0.1° |
| C29 | C30 | C31 | N33 | 174.0° | 179.9° |
| C29 | C30 | C31 | C32 | 5.1° | 1.1° |
| C29 | C28 | C39 | C27 | 176.8° | 179.6° |
| C29 | C28 | C39 | C41 | 133.2° | 124.3° |
| C28 | C29 | C30 | C31 | 3.9° | 0.5° |
| C29 | C28 | C27 | C32 | 1.0° | 0.4° |
| C29 | C28 | C27 | C26 | 179.9° | 180.0° |
| C28 | C29 | C30 | H70 | 176.1° | 179.6° |
| C28 | C39 | C41 | O48 | 49.9° | 120.5° |
| C28 | C39 | C41 | O47 | 126.7° | 59.6° |
| C39 | C28 | C27 | C32 | 177.8° | 179.2° |
| C39 | C28 | C27 | C26 | 3.0° | 0.4° |
| C39 | C28 | C29 | H69 | 3.7° | 0.8° |
| C28 | C39 | C42 | H78 | 62.6° | 60.0° |
| C28 | C39 | C42 | H79 | 56.4° | 60.0° |
| C28 | C39 | C46 | H86 | 56.1° | 60.0° |
| C28 | C39 | C46 | H87 | 62.3° | 60.0° |
| C41 | C39 | C28 | C27 | 49.9° | 56.1° |
| C39 | C41 | O48 | O47 | 176.4° | 179.9° |
| C41 | C39 | C42 | H78 | 54.1° | 180.0° |
| C41 | C39 | C42 | H79 | 173.2° | 60.0° |
| C41 | C39 | C46 | H86 | 175.4° | 60.0° |
| C41 | C39 | C46 | H87 | 57.0° | 180.0° |
| C39 | C41 | O47 | H1 | 176.6° | 180.0° |
| C30 | C31 | N33 | C32 | 179.0° | 178.7° |
| C30 | C31 | C32 | C27 | 3.4° | 1.4° |
| C30 | C31 | N33 | C35 | 168.3° | 154.8° |
| C31 | C30 | C29 | H69 | 176.1° | 179.3° |
| C30 | C31 | C32 | H71 | 176.6° | 176.9° |
| C30 | C31 | N33 | H72 | 11.8° | 25.1° |
| C28 | C27 | C32 | C31 | 0.4° | 1.1° |
| C28 | C27 | C32 | C26 | 179.2° | 179.6° |
| C28 | C27 | C26 | N25 | 158.6° | 164.9° |
| C28 | C27 | C26 | H68 | 38.1° | 45.7° |
| C28 | C27 | C26 | H67 | 80.8° | 74.2° |
| C27 | C28 | C29 | H69 | 179.2° | 179.7° |
| C28 | C27 | C32 | H71 | 179.6° | 177.3° |
| O48 | C41 | O47 | H1 | 0.0° | 0.1° |
| N33 | C31 | C32 | C27 | 175.6° | 179.9° |
| C31 | N33 | C35 | H72 | 180.0° | 179.9° |
| C31 | N33 | C35 | O34 | 160.8° | 168.9° |
| C31 | N33 | C35 | O36 | 21.9° | 12.4° |
| N33 | C31 | C30 | H70 | 6.0° | 0.2° |
| N33 | C31 | C32 | H71 | 4.4° | 1.8° |
| C31 | C32 | C27 | H71 | 180.0° | 178.3° |
| C31 | C32 | C27 | C26 | 178.9° | 179.4° |
| C32 | C31 | N33 | C35 | 10.8° | 26.5° |
| C32 | C31 | C30 | H70 | 174.9° | 179.0° |
| C32 | C31 | N33 | H72 | 169.2° | 153.6° |
| C32 | C27 | C26 | N25 | 22.1° | 15.5° |
| C32 | C27 | C26 | H68 | 142.7° | 134.7° |
| C32 | C27 | C26 | H67 | 98.4° | 105.3° |
| C27 | C26 | N25 | H68 | 120.6° | 120.5° |
| C27 | C26 | N25 | H67 | 120.6° | 121.0° |
| C27 | C26 | N25 | C13 | 74.2° | 111.3° |
| C27 | C26 | N25 | C37 | 101.7° | 69.2° |
| C27 | C26 | H68 | H67 | 118.3° | 120.2° |
| C26 | C27 | C32 | H71 | 1.1° | 2.3° |
| N33 | C35 | O34 | O36 | 177.3° | 178.7° |
| N33 | C35 | O34 | C2 | 174.4° | 170.7° |
| C26 | N25 | C13 | O24 | 5.3° | 9.1° |
| C26 | N25 | C13 | C37 | 175.5° | 179.5° |
| C26 | N25 | C13 | C10 | 173.7° | 171.1° |
| N25 | C26 | H68 | H67 | 118.2° | 118.6° |
| C26 | N25 | C37 | H75 | 180.0° | 179.5° |
| C26 | N25 | C37 | H74 | 60.0° | 60.5° |
| C26 | N25 | C37 | H73 | 60.0° | 59.5° |
| O24 | C13 | N25 | C10 | 179.0° | 179.8° |
| O24 | C13 | N25 | C37 | 179.2° | 170.4° |
| O24 | C13 | C10 | N12 | 22.7° | 118.8° |
| O24 | C13 | C10 | C6 | 100.7° | 116.8° |
| O24 | C13 | C10 | H58 | 140.3° | 0.1° |
| C9 | C8 | C7 | C3 | 179.0° | 179.7° |
| C9 | C8 | C7 | C6 | 179.4° | 179.3° |
| C9 | C8 | C3 | C1 | 4.9° | 0.3° |
| C9 | C8 | C3 | C4 | 178.9° | 179.7° |
| C9 | C8 | C7 | H54 | 0.6° | 0.7° |
| C8 | C9 | H55 | H57 | 120.0° | 120.0° |
| C8 | C9 | H55 | H56 | 120.0° | 120.0° |
| C8 | C9 | H57 | H56 | 120.0° | 119.9° |
| C35 | O34 | C2 | C1 | 91.4° | 92.1° |
| C35 | O34 | C2 | H50 | 28.8° | 28.9° |
| C35 | O34 | C2 | H51 | 148.4° | 147.9° |
| O34 | C35 | N33 | H72 | 19.2° | 11.2° |
| O36 | C35 | O34 | C2 | 8.2° | 8.0° |
| O36 | C35 | N33 | H72 | 158.1° | 167.5° |
| O34 | C2 | C1 | H50 | 120.2° | 120.9° |
| O34 | C2 | C1 | H51 | 120.2° | 120.1° |
| O34 | C2 | C1 | C3 | 56.3° | 63.1° |
| O34 | C2 | C1 | C11 | 177.3° | 58.3° |
| O34 | C2 | C1 | H49 | 62.0° | 176.2° |
| O34 | C2 | H50 | H51 | 119.4° | 119.2° |
| N25 | C13 | C10 | N12 | 158.2° | 61.0° |
| N25 | C13 | C10 | C6 | 78.3° | 63.4° |
| N25 | C13 | C10 | H58 | 40.7° | 179.7° |
| C13 | N25 | C26 | H68 | 46.3° | 128.2° |
| C13 | N25 | C26 | H67 | 165.2° | 9.7° |
| C13 | N25 | C37 | H75 | 4.5° | 0.0° |
| C13 | N25 | C37 | H74 | 124.5° | 120.0° |
| C13 | N25 | C37 | H73 | 115.5° | 120.0° |
| C10 | C13 | N25 | C37 | 1.8° | 9.4° |
| C13 | C10 | C6 | C7 | 59.2° | 126.4° |
| C13 | C10 | N12 | C6 | 122.0° | 122.7° |
| C13 | C10 | N12 | H58 | 116.9° | 118.7° |
| C13 | C10 | N12 | C14 | 157.3° | 85.0° |
| C13 | C10 | C6 | H58 | 119.0° | 117.0° |
| C13 | C10 | C6 | C5 | 115.6° | 53.1° |
| C13 | C10 | N12 | H62 | 80.7° | 95.0° |
| C37 | N25 | C26 | H68 | 137.8° | 51.3° |
| C37 | N25 | C26 | H67 | 18.9° | 169.9° |
| N25 | C37 | H75 | H74 | 120.0° | 120.0° |
| N25 | C37 | H75 | H73 | 120.0° | 120.0° |
| N25 | C37 | H74 | H73 | 120.0° | 119.9° |
| C8 | C7 | C6 | H54 | 180.0° | 180.0° |
| C8 | C7 | C6 | C10 | 172.9° | 178.6° |
| C8 | C7 | C6 | C5 | 2.1° | 0.9° |
| C7 | C8 | C3 | C1 | 174.1° | 179.3° |
| C7 | C8 | C3 | C4 | 2.1° | 0.0° |
| C7 | C8 | C9 | H55 | 90.5° | 90.0° |
| C7 | C8 | C9 | H57 | 149.5° | 150.0° |
| C7 | C8 | C9 | H56 | 29.5° | 30.0° |
| C6 | C7 | C8 | C3 | 0.4° | 0.3° |
| C7 | C6 | C10 | N12 | 60.1° | 2.1° |
| C7 | C6 | C10 | C5 | 174.8° | 179.5° |
| C7 | C6 | C5 | C4 | 2.9° | 1.1° |
| C7 | C6 | C5 | H53 | 177.1° | 179.1° |
| C7 | C6 | C10 | H58 | 178.2° | 116.6° |
| C8 | C3 | C1 | C2 | 90.4° | 90.5° |
| C8 | C3 | C1 | C4 | 176.2° | 179.3° |
| C8 | C3 | C1 | C11 | 145.1° | 148.8° |
| C8 | C3 | C4 | C5 | 1.3° | 0.2° |
| C8 | C3 | C1 | H49 | 27.6° | 29.4° |
| C8 | C3 | C4 | H52 | 178.7° | 178.8° |
| C3 | C8 | C7 | H54 | 179.6° | 179.6° |
| C3 | C8 | C9 | H55 | 90.6° | 90.3° |
| C3 | C8 | C9 | H57 | 29.4° | 29.7° |
| C3 | C8 | C9 | H56 | 149.4° | 149.6° |
| C2 | C1 | C3 | C11 | 124.5° | 120.7° |
| C2 | C1 | C3 | H49 | 117.9° | 119.9° |
| C2 | C1 | C3 | C4 | 85.8° | 88.8° |
| C2 | C1 | C11 | H49 | 115.1° | 118.8° |
| C2 | C1 | C11 | H60 | 180.0° | 58.8° |
| C2 | C1 | C11 | H59 | 60.0° | 178.8° |
| C2 | C1 | C11 | H61 | 60.0° | 61.2° |
| C1 | C2 | H50 | H51 | 119.5° | 119.1° |
| C10 | N12 | C14 | H62 | 122.0° | 180.0° |
| N12 | C10 | C6 | H58 | 121.6° | 118.7° |
| N12 | C10 | C6 | C5 | 125.0° | 177.4° |
| C10 | N12 | C14 | C19 | 164.1° | 0.0° |
| C10 | N12 | C14 | C15 | 13.7° | 179.5° |
| C14 | N12 | C10 | C6 | 80.6° | 152.2° |
| N12 | C14 | C19 | C15 | 177.9° | 179.5° |
| N12 | C14 | C19 | C18 | 175.6° | 179.9° |
| N12 | C14 | C15 | C16 | 176.0° | 179.8° |
| N12 | C14 | C15 | H63 | 4.0° | 0.3° |
| N12 | C14 | C19 | H65 | 4.4° | 0.5° |
| C14 | N12 | C10 | H58 | 40.4° | 33.7° |
| C10 | C6 | C5 | C4 | 172.0° | 178.4° |
| C10 | C6 | C5 | H53 | 8.0° | 1.4° |
| C10 | C6 | C7 | H54 | 7.1° | 1.4° |
| C6 | C10 | N12 | H62 | 41.4° | 27.7° |
| C6 | C5 | C4 | C3 | 1.2° | 0.7° |
| C6 | C5 | C4 | H53 | 180.0° | 179.8° |
| C6 | C5 | C4 | H52 | 178.7° | 178.3° |
| C5 | C6 | C7 | H54 | 177.9° | 179.1° |
| C5 | C6 | C10 | H58 | 3.4° | 63.9° |
| C3 | C1 | C11 | H49 | 117.6° | 121.1° |
| C1 | C3 | C4 | C5 | 175.0° | 179.5° |
| C3 | C1 | C11 | H60 | 52.6° | 178.9° |
| C3 | C1 | C11 | H59 | 67.4° | 61.1° |
| C3 | C1 | C11 | H61 | 172.7° | 58.9° |
| C3 | C1 | C2 | H50 | 63.9° | 57.9° |
| C3 | C1 | C2 | H51 | 176.4° | 176.8° |
| C1 | C3 | C4 | H52 | 5.0° | 0.5° |
| C4 | C3 | C1 | C11 | 38.7° | 31.9° |
| C3 | C4 | C5 | H52 | 180.0° | 179.0° |
| C4 | C3 | C1 | H49 | 156.3° | 151.3° |
| C3 | C4 | C5 | H53 | 178.8° | 179.4° |
| C1 | C11 | H60 | H59 | 120.0° | 120.1° |
| C1 | C11 | H60 | H61 | 120.0° | 120.0° |
| C1 | C11 | H59 | H61 | 120.0° | 120.0° |
| C11 | C1 | C2 | H50 | 62.5° | 179.2° |
| C11 | C1 | C2 | H51 | 57.1° | 61.9° |
| C14 | C19 | C18 | H65 | 180.0° | 179.4° |
| C14 | C19 | C18 | C17 | 1.8° | 0.6° |
| C19 | C14 | C15 | C16 | 1.8° | 0.3° |
| C14 | C19 | C18 | H64 | 178.2° | 179.8° |
| C19 | C14 | C15 | H63 | 178.2° | 179.8° |
| C19 | C14 | N12 | H62 | 42.1° | 180.0° |
| C18 | C19 | C14 | C15 | 2.3° | 0.5° |
| C19 | C18 | C17 | H64 | 180.0° | 179.6° |
| C19 | C18 | C17 | C16 | 0.9° | 0.3° |
| C19 | C18 | C17 | C23 | 177.1° | 179.7° |
| C14 | C15 | C16 | H63 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.9° | 0.0° |
| C14 | C15 | C16 | C20 | 179.7° | 180.0° |
| C15 | C14 | C19 | H65 | 177.7° | 180.0° |
| C15 | C14 | N12 | H62 | 135.6° | 0.5° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | C23 | 178.1° | 180.0° |
| C18 | C17 | C16 | C20 | 179.8° | 180.0° |
| C18 | C17 | C23 | N38 | 0.2° | 0.1° |
| C18 | C17 | C23 | N22 | 179.0° | 180.0° |
| C17 | C18 | C19 | H65 | 178.2° | 180.0° |
| C15 | C16 | C17 | C20 | 179.4° | 180.0° |
| C15 | C16 | C17 | C23 | 177.7° | 180.0° |
| C15 | C16 | C20 | F40 | 6.7° | 0.1° |
| C15 | C16 | C20 | C21 | 178.1° | 180.0° |
| C16 | C17 | C23 | N38 | 178.2° | 180.0° |
| C16 | C17 | C23 | N22 | 1.0° | 0.0° |
| C17 | C16 | C20 | F40 | 173.9° | 180.0° |
| C17 | C16 | C20 | C21 | 1.4° | 0.1° |
| C16 | C17 | C18 | H64 | 179.1° | 179.9° |
| C17 | C16 | C15 | H63 | 179.2° | 180.0° |
| C23 | C17 | C16 | C20 | 1.7° | 0.0° |
| C17 | C23 | N38 | N22 | 179.2° | 179.9° |
| C17 | C23 | N22 | C21 | 0.2° | 0.0° |
| C23 | C17 | C18 | H64 | 2.9° | 0.1° |
| C17 | C23 | N38 | H76 | 179.2° | 0.0° |
| C17 | C23 | N38 | H77 | 60.8° | 180.0° |
| C16 | C20 | F40 | C21 | 175.2° | 179.9° |
| C16 | C20 | C21 | N22 | 0.2° | 0.1° |
| C20 | C16 | C15 | H63 | 0.3° | 0.1° |
| C16 | C20 | C21 | H66 | 179.8° | 180.0° |
| N38 | C23 | N22 | C21 | 179.4° | 179.9° |
| C23 | N38 | H76 | H77 | 120.0° | 180.0° |
| C23 | N22 | C21 | C20 | 0.6° | 0.1° |
| C23 | N22 | C21 | H66 | 179.4° | 180.0° |
| N22 | C23 | N38 | H76 | 0.0° | 180.0° |
| N22 | C23 | N38 | H77 | 120.0° | 0.0° |
| F40 | C20 | C21 | N22 | 175.0° | 180.0° |
| F40 | C20 | C21 | H66 | 5.0° | 0.0° |
| C20 | C21 | N22 | H66 | 180.0° | 180.0° |
| H64 | C18 | C19 | H65 | 1.9° | 0.4° |
| H60 | C11 | H59 | H61 | 120.0° | 119.9° |
| H60 | C11 | C1 | H49 | 64.9° | 60.0° |
| H59 | C11 | C1 | H49 | 175.0° | 60.0° |
| H61 | C11 | C1 | H49 | 55.1° | 180.0° |
| H49 | C1 | C2 | H50 | 177.8° | 62.9° |
| H49 | C1 | C2 | H51 | 58.2° | 56.1° |
| H52 | C4 | C5 | H53 | 1.3° | 1.5° |
| H55 | C9 | H57 | H56 | 120.0° | 120.0° |
| H58 | C10 | N12 | H62 | 162.4° | 146.3° |
| H69 | C29 | C30 | H70 | 3.9° | 0.6° |
| H75 | C37 | H74 | H73 | 120.0° | 120.1° |
| H78 | C42 | C43 | H80 | 60.5° | 60.1° |
| H78 | C42 | C43 | H81 | 59.1° | 180.0° |
| H79 | C42 | C43 | H80 | 179.6° | 60.0° |
| H79 | C42 | C43 | H81 | 60.0° | 59.9° |
| H80 | C43 | C44 | H83 | 175.2° | 60.0° |
| H80 | C43 | C44 | H82 | 55.7° | 60.0° |
| H81 | C43 | C44 | H83 | 55.6° | 180.0° |
| H81 | C43 | C44 | H82 | 63.9° | 60.0° |
| H83 | C44 | C45 | H84 | 51.7° | 60.1° |
| H83 | C44 | C45 | H85 | 170.8° | 180.0° |
| H82 | C44 | C45 | H84 | 67.8° | 60.0° |
| H82 | C44 | C45 | H85 | 51.4° | 59.9° |
| H84 | C45 | C46 | H86 | 51.8° | 60.0° |
| H84 | C45 | C46 | H87 | 66.6° | 59.9° |
| H85 | C45 | C46 | H86 | 171.0° | 60.1° |
| H85 | C45 | C46 | H87 | 52.5° | 180.0° |
