74T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C22 | doub | 1.29Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | S23 | sing | 1.76Å | 1.71Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.61Å | |
| C6 | C7 | doub | 1.37Å | 1.39Å | Aromatic |
| S8 | O9 | doub | 1.42Å | 1.43Å | |
| S8 | O10 | doub | 1.42Å | 1.44Å | |
| S8 | N11 | sing | 1.66Å | 1.62Å | |
| N11 | C12 | sing | 1.46Å | 1.48Å | |
| N11 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C19 | C32 | sing | 1.53Å | 1.52Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C21 | O23 | sing | 1.35Å | 1.45Å | |
| C22 | S23 | sing | 1.76Å | 1.73Å | Aromatic |
| C22 | N24 | sing | 1.38Å | 1.45Å | |
| O23 | C24 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C24 | C31 | sing | 1.54Å | 1.52Å | |
| N24 | C42 | sing | 1.46Å | 1.46Å | |
| C25 | O26 | sing | 1.43Å | 1.44Å | |
| O26 | C27 | sing | 1.44Å | 1.43Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C27 | C31 | sing | 1.56Å | 1.52Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C29 | C30 | sing | 1.54Å | 1.52Å | |
| C30 | C31 | sing | 1.55Å | 1.51Å | |
| C32 | C38 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | C47 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | N45 | sing | 1.47Å | 1.48Å | |
| N45 | C46 | sing | 1.47Å | 1.48Å | |
| N45 | C48 | sing | 1.47Å | 1.47Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.54Å | 1.53Å | |
| C48 | C52 | sing | 1.55Å | 1.52Å | |
| C49 | C50 | sing | 1.54Å | 1.52Å | |
| C50 | C51 | sing | 1.54Å | 1.52Å | |
| C51 | C52 | sing | 1.55Å | 1.53Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C22 | 111.5° | 117.9° |
| N1 | C2 | C3 | 109.6° | 112.9° |
| N1 | C2 | C7 | 130.2° | 128.8° |
| N1 | C22 | S23 | 117.3° | 110.4° |
| N1 | C22 | N24 | 116.2° | 124.8° |
| C3 | C2 | C7 | 120.2° | 118.4° |
| C2 | C3 | C4 | 118.8° | 120.4° |
| C2 | C3 | S23 | 117.1° | 108.4° |
| C2 | C7 | C6 | 120.9° | 120.4° |
| C2 | C7 | H7 | 119.6° | 119.8° |
| C4 | C3 | S23 | 124.2° | 131.2° |
| C3 | C4 | C5 | 121.0° | 120.2° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C3 | S23 | C22 | 84.5° | 90.4° |
| C4 | C5 | C6 | 119.0° | 120.0° |
| C4 | C5 | S8 | 123.4° | 120.0° |
| C5 | C4 | H4 | 119.5° | 119.9° |
| C6 | C5 | S8 | 117.5° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.6° |
| C5 | C6 | H6 | 119.9° | 119.8° |
| C5 | S8 | O9 | 112.1° | 106.4° |
| C5 | S8 | O10 | 109.3° | 106.4° |
| C5 | S8 | N11 | 111.6° | 107.2° |
| C7 | C6 | H6 | 120.0° | 119.6° |
| C6 | C7 | H7 | 119.6° | 119.8° |
| O9 | S8 | O10 | 111.4° | 123.2° |
| O9 | S8 | N11 | 106.6° | 106.4° |
| O10 | S8 | N11 | 105.6° | 106.4° |
| S8 | N11 | C12 | 113.0° | 120.0° |
| S8 | N11 | C16 | 110.1° | 120.0° |
| C12 | N11 | C16 | 112.4° | 120.0° |
| N11 | C12 | C13 | 111.2° | 109.5° |
| N11 | C12 | H12 | 108.9° | 109.4° |
| N11 | C12 | H12A | 108.9° | 109.5° |
| N11 | C16 | C17 | 107.9° | 109.5° |
| N11 | C16 | H16 | 110.0° | 109.5° |
| N11 | C16 | H16A | 110.0° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C12 | C13 | C15 | 110.5° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H12A | 108.9° | 109.5° |
| C12 | C13 | H13 | 107.0° | 109.4° |
| C14 | C13 | C15 | 110.6° | 109.5° |
| C14 | C13 | H13 | 106.9° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C15 | C13 | H13 | 109.1° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.4° |
| C16 | C17 | O18 | 111.1° | 109.5° |
| C16 | C17 | C19 | 110.5° | 109.4° |
| C17 | C16 | H16 | 110.0° | 109.4° |
| C17 | C16 | H16A | 110.0° | 109.5° |
| C16 | C17 | H17 | 108.3° | 109.5° |
| O18 | C17 | C19 | 111.4° | 109.5° |
| O18 | C17 | H17 | 107.4° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| C17 | C19 | N20 | 106.4° | 109.5° |
| C17 | C19 | C32 | 113.8° | 109.5° |
| C19 | C17 | H17 | 108.0° | 109.5° |
| C17 | C19 | H19 | 107.4° | 109.5° |
| N20 | C19 | C32 | 105.2° | 109.4° |
| C19 | N20 | C21 | 126.7° | 120.0° |
| N20 | C19 | H19 | 115.7° | 109.4° |
| C19 | N20 | HN20 | 116.6° | 119.9° |
| C19 | C32 | C38 | 108.5° | 109.5° |
| C32 | C19 | H19 | 108.5° | 109.5° |
| C19 | C32 | H32 | 109.8° | 109.5° |
| C19 | C32 | H32A | 109.8° | 109.4° |
| N20 | C21 | O22 | 125.6° | 120.0° |
| N20 | C21 | O23 | 113.2° | 120.0° |
| C21 | N20 | HN20 | 116.6° | 120.0° |
| O22 | C21 | O23 | 121.2° | 119.9° |
| C21 | O23 | C24 | 121.5° | 117.1° |
| S23 | C22 | N24 | 126.4° | 124.8° |
| C22 | N24 | C42 | 128.5° | 120.0° |
| C22 | N24 | HN24 | 103.5° | 119.9° |
| O23 | C24 | C25 | 106.7° | 110.4° |
| O23 | C24 | C31 | 109.7° | 110.4° |
| O23 | C24 | H24 | 109.4° | 110.3° |
| C25 | C24 | C31 | 103.7° | 104.8° |
| C24 | C25 | O26 | 106.4° | 107.4° |
| C25 | C24 | H24 | 114.9° | 110.3° |
| C24 | C25 | H25 | 110.5° | 109.9° |
| C24 | C25 | H25A | 110.5° | 109.9° |
| C24 | C31 | C27 | 105.8° | 102.7° |
| C24 | C31 | C30 | 113.4° | 108.9° |
| C31 | C24 | H24 | 112.1° | 110.5° |
| C24 | C31 | H31 | 108.2° | 113.8° |
| N24 | C42 | C43 | 114.3° | 109.5° |
| N24 | C42 | C47 | 115.7° | 109.5° |
| C42 | N24 | HN24 | 103.6° | 120.0° |
| N24 | C42 | H42 | 100.5° | 109.5° |
| C25 | O26 | C27 | 110.2° | 108.0° |
| O26 | C25 | H25 | 110.5° | 109.8° |
| O26 | C25 | H25A | 110.5° | 109.8° |
| O26 | C27 | O28 | 111.7° | 108.8° |
| O26 | C27 | C31 | 106.9° | 104.0° |
| O26 | C27 | H27 | 109.0° | 112.5° |
| O28 | C27 | C31 | 107.1° | 105.2° |
| C27 | O28 | C29 | 110.2° | 110.4° |
| O28 | C27 | H27 | 108.8° | 112.5° |
| C27 | C31 | C30 | 105.6° | 101.1° |
| C31 | C27 | H27 | 113.4° | 113.2° |
| C27 | C31 | H31 | 115.6° | 114.2° |
| O28 | C29 | C30 | 106.6° | 107.6° |
| O28 | C29 | H29 | 110.4° | 109.8° |
| O28 | C29 | H29A | 110.4° | 109.8° |
| C29 | C30 | C31 | 103.6° | 102.7° |
| C30 | C29 | H29 | 110.4° | 109.8° |
| C30 | C29 | H29A | 110.4° | 109.9° |
| C29 | C30 | H30 | 111.5° | 110.8° |
| C29 | C30 | H30A | 111.5° | 110.8° |
| C31 | C30 | H30 | 111.5° | 110.8° |
| C31 | C30 | H30A | 111.5° | 110.8° |
| C30 | C31 | H31 | 108.4° | 114.7° |
| C32 | C38 | C33 | 119.9° | 120.0° |
| C32 | C38 | C37 | 120.2° | 120.0° |
| C38 | C32 | H32 | 109.8° | 109.5° |
| C38 | C32 | H32A | 109.8° | 109.4° |
| C34 | C33 | C38 | 120.4° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C34 | C33 | H33 | 119.8° | 119.9° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C33 | C38 | C37 | 119.9° | 120.0° |
| C38 | C33 | H33 | 119.8° | 120.0° |
| C34 | C35 | C36 | 120.2° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C36 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | C38 | 119.7° | 120.0° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C38 | C37 | H37 | 120.2° | 120.0° |
| C43 | C42 | C47 | 107.4° | 109.2° |
| C42 | C43 | C44 | 107.8° | 109.3° |
| C43 | C42 | H42 | 110.1° | 109.5° |
| C42 | C43 | H43 | 110.0° | 109.5° |
| C42 | C43 | H43A | 110.0° | 109.6° |
| C42 | C47 | C46 | 106.2° | 109.3° |
| C47 | C42 | H42 | 108.5° | 109.6° |
| C42 | C47 | H47 | 110.6° | 109.5° |
| C42 | C47 | H47A | 110.6° | 109.5° |
| C43 | C44 | N45 | 110.9° | 109.5° |
| C44 | C43 | H43 | 110.0° | 109.4° |
| C44 | C43 | H43A | 110.0° | 109.5° |
| C43 | C44 | H44 | 109.0° | 109.5° |
| C43 | C44 | H44A | 109.0° | 109.4° |
| C44 | N45 | C46 | 112.6° | 111.3° |
| C44 | N45 | C48 | 110.0° | 111.0° |
| N45 | C44 | H44 | 109.0° | 109.5° |
| N45 | C44 | H44A | 109.0° | 109.4° |
| C46 | N45 | C48 | 108.4° | 111.0° |
| N45 | C46 | C47 | 110.8° | 109.5° |
| N45 | C46 | H46 | 109.0° | 109.5° |
| N45 | C46 | H46A | 109.0° | 109.4° |
| N45 | C48 | C49 | 112.3° | 110.5° |
| N45 | C48 | C52 | 110.7° | 110.5° |
| N45 | C48 | H48 | 105.7° | 110.4° |
| C47 | C46 | H46 | 109.0° | 109.5° |
| C47 | C46 | H46A | 109.0° | 109.4° |
| C46 | C47 | H47 | 110.6° | 109.5° |
| C46 | C47 | H47A | 110.6° | 109.5° |
| C49 | C48 | C52 | 106.5° | 104.2° |
| C48 | C49 | C50 | 107.7° | 106.6° |
| C49 | C48 | H48 | 110.0° | 110.5° |
| C48 | C49 | H49 | 110.1° | 110.0° |
| C48 | C49 | H49A | 110.1° | 110.1° |
| C48 | C52 | C51 | 107.4° | 102.8° |
| C52 | C48 | H48 | 111.7° | 110.6° |
| C48 | C52 | H52 | 110.2° | 110.7° |
| C48 | C52 | H52A | 110.2° | 110.7° |
| C49 | C50 | C51 | 107.5° | 106.6° |
| C50 | C49 | H49 | 110.0° | 110.0° |
| C50 | C49 | H49A | 110.0° | 110.0° |
| C49 | C50 | H50 | 110.1° | 110.0° |
| C49 | C50 | H50A | 110.1° | 110.0° |
| C50 | C51 | C52 | 107.5° | 104.2° |
| C51 | C50 | H50 | 110.1° | 110.0° |
| C51 | C50 | H50A | 110.1° | 110.0° |
| C50 | C51 | H51 | 110.1° | 110.5° |
| C50 | C51 | H51A | 110.1° | 110.5° |
| C52 | C51 | H51 | 110.1° | 110.5° |
| C52 | C51 | H51A | 110.1° | 110.5° |
| C51 | C52 | H52 | 110.2° | 110.8° |
| C51 | C52 | H52A | 110.2° | 110.7° |
| H12 | C12 | H12A | 110.0° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.0° | 109.5° |
| H25 | C25 | H25A | 108.4° | 109.9° |
| H29 | C29 | H29A | 108.5° | 109.9° |
| H30 | C30 | H30A | 107.4° | 110.8° |
| H32 | C32 | H32A | 109.2° | 109.5° |
| H43 | C43 | H43A | 109.0° | 109.5° |
| H44 | C44 | H44A | 109.9° | 109.5° |
| H46 | C46 | H46A | 109.9° | 109.4° |
| H47 | C47 | H47A | 108.3° | 109.5° |
| H49 | C49 | H49A | 108.9° | 110.1° |
| H50 | C50 | H50A | 108.8° | 110.1° |
| H51 | C51 | H51A | 108.8° | 110.5° |
| H52 | C52 | H52A | 108.8° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C7 | 179.0° | 180.0° |
| N1 | C2 | C3 | C4 | 179.3° | 180.0° |
| N1 | C2 | C3 | S23 | 0.3° | 0.0° |
| N1 | C2 | C7 | C6 | 179.1° | 180.0° |
| C2 | N1 | C22 | S23 | 0.4° | 0.0° |
| C2 | N1 | C22 | N24 | 177.5° | 180.0° |
| N1 | C2 | C7 | H7 | 0.9° | 0.1° |
| C22 | N1 | C2 | C3 | 0.0° | 0.0° |
| C22 | N1 | C2 | C7 | 178.8° | 180.0° |
| N1 | C22 | S23 | C3 | 0.5° | 0.0° |
| N1 | C22 | S23 | N24 | 176.8° | 180.0° |
| N1 | C22 | N24 | C42 | 163.5° | 0.0° |
| N1 | C22 | N24 | HN24 | 76.5° | 180.0° |
| C2 | C3 | C4 | S23 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.0° |
| C2 | C3 | S23 | C22 | 0.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C3 | C2 | C7 | H7 | 179.7° | 180.0° |
| C7 | C2 | C3 | C4 | 0.3° | 0.0° |
| C7 | C2 | C3 | S23 | 179.3° | 180.0° |
| C2 | C7 | C6 | C5 | 0.5° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H6 | 179.5° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C3 | C4 | C5 | S8 | 178.3° | 180.0° |
| C4 | C3 | S23 | C22 | 179.1° | 180.0° |
| S23 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | S23 | C22 | N24 | 177.3° | 180.0° |
| S23 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | S8 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 1.3° | 0.0° |
| C4 | C5 | S8 | O9 | 31.7° | 156.4° |
| C4 | C5 | S8 | O10 | 155.8° | 23.5° |
| C4 | C5 | S8 | N11 | 87.8° | 90.0° |
| C4 | C5 | C6 | H6 | 178.7° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | S8 | O9 | 148.7° | 23.6° |
| C6 | C5 | S8 | O10 | 24.6° | 156.5° |
| C6 | C5 | S8 | N11 | 91.8° | 90.0° |
| C6 | C5 | C4 | H4 | 178.7° | 180.0° |
| C5 | C6 | C7 | H7 | 179.5° | 180.0° |
| S8 | C5 | C6 | C7 | 178.4° | 180.0° |
| C5 | S8 | O9 | O10 | 122.9° | 122.9° |
| C5 | S8 | O9 | N11 | 122.4° | 114.1° |
| C5 | S8 | O10 | N11 | 120.2° | 114.1° |
| C5 | S8 | N11 | C12 | 44.8° | 90.0° |
| C5 | S8 | N11 | C16 | 81.8° | 90.0° |
| S8 | C5 | C4 | H4 | 1.7° | 0.0° |
| S8 | C5 | C6 | H6 | 1.6° | 0.1° |
| O9 | S8 | O10 | N11 | 115.3° | 123.0° |
| O9 | S8 | N11 | C12 | 77.9° | 23.5° |
| O9 | S8 | N11 | C16 | 155.5° | 156.5° |
| O10 | S8 | N11 | C12 | 163.5° | 156.4° |
| O10 | S8 | N11 | C16 | 36.9° | 23.6° |
| S8 | N11 | C12 | C16 | 125.4° | 180.0° |
| S8 | N11 | C12 | C13 | 151.3° | 95.0° |
| S8 | N11 | C16 | C17 | 122.4° | 95.0° |
| S8 | N11 | C12 | H12 | 31.2° | 145.0° |
| S8 | N11 | C12 | H12A | 88.7° | 25.1° |
| S8 | N11 | C16 | H16 | 117.6° | 145.0° |
| S8 | N11 | C16 | H16A | 2.4° | 25.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | C13 | C14 | 51.1° | 175.0° |
| N11 | C12 | C13 | C15 | 175.2° | 65.0° |
| C12 | N11 | C16 | C17 | 110.7° | 85.0° |
| N11 | C12 | H12 | H12A | 119.3° | 120.0° |
| N11 | C12 | C13 | H13 | 66.1° | 55.0° |
| C12 | N11 | C16 | H16 | 9.3° | 35.0° |
| C12 | N11 | C16 | H16A | 129.4° | 155.0° |
| C16 | N11 | C12 | C13 | 83.3° | 85.0° |
| N11 | C16 | C17 | H16 | 120.0° | 120.0° |
| N11 | C16 | C17 | H16A | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 166.9° | 65.0° |
| N11 | C16 | C17 | C19 | 68.9° | 175.0° |
| C16 | N11 | C12 | H12 | 156.6° | 35.0° |
| C16 | N11 | C12 | H12A | 36.7° | 154.9° |
| N11 | C16 | H16 | H16A | 120.7° | 120.0° |
| N11 | C16 | C17 | H17 | 49.3° | 55.0° |
| C12 | C13 | C14 | C15 | 124.2° | 120.0° |
| C12 | C13 | C14 | H13 | 117.2° | 119.9° |
| C12 | C13 | C15 | H13 | 117.4° | 120.0° |
| C13 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 60.1° |
| C12 | C13 | C14 | H14A | 60.0° | 180.0° |
| C12 | C13 | C14 | H14B | 60.0° | 60.0° |
| C12 | C13 | C15 | H15 | 180.0° | 60.1° |
| C12 | C13 | C15 | H15A | 60.0° | 60.0° |
| C12 | C13 | C15 | H15B | 60.0° | 180.0° |
| C14 | C13 | C15 | H13 | 117.3° | 120.0° |
| C14 | C13 | C12 | H12 | 68.9° | 55.0° |
| C14 | C13 | C12 | H12A | 171.1° | 65.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C13 | C15 | H15 | 54.6° | 59.9° |
| C14 | C13 | C15 | H15A | 65.3° | 180.0° |
| C14 | C13 | C15 | H15B | 174.6° | 60.0° |
| C15 | C13 | C12 | H12 | 55.2° | 175.0° |
| C15 | C13 | C12 | H12A | 64.7° | 55.1° |
| C15 | C13 | C14 | H14 | 55.8° | 60.0° |
| C15 | C13 | C14 | H14A | 175.8° | 60.0° |
| C15 | C13 | C14 | H14B | 64.1° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.1° |
| C13 | C15 | H15 | H15B | 120.0° | 119.9° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| C16 | C17 | O18 | C19 | 123.7° | 119.9° |
| C16 | C17 | O18 | H17 | 118.2° | 120.0° |
| C16 | C17 | C19 | H17 | 118.3° | 120.0° |
| C16 | C17 | C19 | N20 | 167.1° | 175.0° |
| C16 | C17 | C19 | C32 | 77.6° | 65.0° |
| C17 | C16 | H16 | H16A | 120.6° | 120.0° |
| C16 | C17 | O18 | HO18 | 180.0° | 60.0° |
| C16 | C17 | C19 | H19 | 42.6° | 55.1° |
| O18 | C17 | C19 | H17 | 117.7° | 120.1° |
| O18 | C17 | C19 | N20 | 68.9° | 65.1° |
| O18 | C17 | C19 | C32 | 46.4° | 54.9° |
| O18 | C17 | C16 | H16 | 47.0° | 55.0° |
| O18 | C17 | C16 | H16A | 73.1° | 175.0° |
| O18 | C17 | C19 | H19 | 166.6° | 175.0° |
| C17 | C19 | N20 | C32 | 121.1° | 120.0° |
| C17 | C19 | N20 | H19 | 119.2° | 120.0° |
| C17 | C19 | C32 | H19 | 119.5° | 120.1° |
| C17 | C19 | N20 | C21 | 110.2° | 155.0° |
| C17 | C19 | C32 | C38 | 175.0° | 175.0° |
| C19 | C17 | C16 | H16 | 171.2° | 65.0° |
| C19 | C17 | C16 | H16A | 51.1° | 55.0° |
| C19 | C17 | O18 | HO18 | 56.3° | 59.9° |
| C17 | C19 | N20 | HN20 | 69.8° | 25.0° |
| C17 | C19 | C32 | H32 | 55.0° | 64.9° |
| C17 | C19 | C32 | H32A | 65.0° | 55.0° |
| N20 | C19 | C32 | H19 | 124.4° | 119.9° |
| C19 | N20 | C21 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 0.6° | 0.0° |
| C19 | N20 | C21 | O23 | 180.0° | 180.0° |
| N20 | C19 | C32 | C38 | 59.0° | 65.0° |
| N20 | C19 | C17 | H17 | 48.8° | 55.0° |
| N20 | C19 | C32 | H32 | 61.0° | 55.0° |
| N20 | C19 | C32 | H32A | 179.0° | 175.0° |
| C32 | C19 | N20 | C21 | 128.8° | 85.0° |
| C19 | C32 | C38 | H32 | 120.0° | 120.1° |
| C19 | C32 | C38 | H32A | 120.0° | 120.0° |
| C19 | C32 | C38 | C33 | 108.6° | 90.0° |
| C19 | C32 | C38 | C37 | 70.5° | 89.9° |
| C32 | C19 | C17 | H17 | 164.1° | 175.0° |
| C32 | C19 | N20 | HN20 | 51.2° | 95.1° |
| C19 | C32 | H32 | H32A | 120.4° | 120.0° |
| N20 | C21 | O22 | O23 | 179.3° | 179.9° |
| N20 | C21 | O23 | C24 | 169.8° | 180.0° |
| C21 | N20 | C19 | H19 | 9.0° | 35.0° |
| O22 | C21 | O23 | C24 | 10.9° | 0.1° |
| O22 | C21 | N20 | HN20 | 179.4° | 179.9° |
| C21 | O23 | C24 | C25 | 139.6° | 91.5° |
| C21 | O23 | C24 | C31 | 108.6° | 153.2° |
| O23 | C21 | N20 | HN20 | 0.0° | 0.0° |
| C21 | O23 | C24 | H24 | 14.7° | 30.8° |
| S23 | C22 | N24 | C42 | 13.3° | 180.0° |
| S23 | C22 | N24 | HN24 | 106.7° | 0.0° |
| C22 | N24 | C42 | HN24 | 120.0° | 180.0° |
| C22 | N24 | C42 | C43 | 103.6° | 155.0° |
| C22 | N24 | C42 | C47 | 21.9° | 85.3° |
| C22 | N24 | C42 | H42 | 138.5° | 34.9° |
| O23 | C24 | C25 | C31 | 115.8° | 118.9° |
| O23 | C24 | C25 | H24 | 121.4° | 122.2° |
| O23 | C24 | C31 | H24 | 121.8° | 122.3° |
| O23 | C24 | C25 | O26 | 89.1° | 115.4° |
| O23 | C24 | C31 | C27 | 92.2° | 136.5° |
| O23 | C24 | C31 | C30 | 23.1° | 29.8° |
| O23 | C24 | C25 | H25 | 150.9° | 125.2° |
| O23 | C24 | C25 | H25A | 30.9° | 4.1° |
| O23 | C24 | C31 | H31 | 143.4° | 99.5° |
| C25 | C24 | C31 | H24 | 124.6° | 118.8° |
| C24 | C25 | O26 | H25 | 120.0° | 119.5° |
| C24 | C25 | O26 | H25A | 120.0° | 119.5° |
| C24 | C25 | O26 | C27 | 22.3° | 25.7° |
| C25 | C24 | C31 | C27 | 21.5° | 17.6° |
| C25 | C24 | C31 | C30 | 136.7° | 89.0° |
| C24 | C25 | H25 | H25A | 121.3° | 121.1° |
| C25 | C24 | C31 | H31 | 103.0° | 141.7° |
| C31 | C24 | C25 | O26 | 26.7° | 3.5° |
| C24 | C31 | C27 | O26 | 8.9° | 33.0° |
| C24 | C31 | C27 | O28 | 110.9° | 147.3° |
| C24 | C31 | C27 | C30 | 120.5° | 112.5° |
| C24 | C31 | C27 | H31 | 119.7° | 123.8° |
| C24 | C31 | C30 | C29 | 93.7° | 140.9° |
| C24 | C31 | C30 | H31 | 120.1° | 128.8° |
| C31 | C24 | C25 | H25 | 93.3° | 116.0° |
| C31 | C24 | C25 | H25A | 146.7° | 122.9° |
| C24 | C31 | C27 | H27 | 129.1° | 89.5° |
| C24 | C31 | C30 | H30 | 146.3° | 100.8° |
| C24 | C31 | C30 | H30A | 26.3° | 22.6° |
| N24 | C42 | C43 | C47 | 129.8° | 119.9° |
| N24 | C42 | C43 | H42 | 112.3° | 120.1° |
| N24 | C42 | C47 | H42 | 112.0° | 120.1° |
| N24 | C42 | C43 | C44 | 164.9° | 177.5° |
| N24 | C42 | C47 | C46 | 164.5° | 177.6° |
| N24 | C42 | C43 | H43 | 75.1° | 57.6° |
| N24 | C42 | C43 | H43A | 44.9° | 62.6° |
| N24 | C42 | C47 | H47 | 44.5° | 62.5° |
| N24 | C42 | C47 | H47A | 75.5° | 57.6° |
| C25 | O26 | C27 | O28 | 125.2° | 148.6° |
| C25 | O26 | C27 | C31 | 8.3° | 36.9° |
| O26 | C25 | C24 | H24 | 149.4° | 122.4° |
| O26 | C25 | H25 | H25A | 121.2° | 121.0° |
| C25 | O26 | C27 | H27 | 114.6° | 86.0° |
| O26 | C27 | O28 | C31 | 116.7° | 110.9° |
| O26 | C27 | O28 | H27 | 120.4° | 125.4° |
| O26 | C27 | C31 | H27 | 120.2° | 122.5° |
| O26 | C27 | O28 | C29 | 109.0° | 88.1° |
| O26 | C27 | C31 | C30 | 129.4° | 79.5° |
| C27 | O26 | C25 | H25 | 97.7° | 93.8° |
| C27 | O26 | C25 | H25A | 142.3° | 145.2° |
| O26 | C27 | C31 | H31 | 110.8° | 156.8° |
| O28 | C27 | C31 | H27 | 120.0° | 123.3° |
| C27 | O28 | C29 | C30 | 21.9° | 0.9° |
| O28 | C27 | C31 | C30 | 9.5° | 34.8° |
| C27 | O28 | C29 | H29 | 141.9° | 120.4° |
| C27 | O28 | C29 | H29A | 98.1° | 118.6° |
| O28 | C27 | C31 | H31 | 129.4° | 88.9° |
| C31 | C27 | O28 | C29 | 7.7° | 22.8° |
| C27 | C31 | C30 | C29 | 21.7° | 33.1° |
| C27 | C31 | C30 | H31 | 124.5° | 123.4° |
| C27 | C31 | C24 | H24 | 146.0° | 101.2° |
| C27 | C31 | C30 | H30 | 98.3° | 151.4° |
| C27 | C31 | C30 | H30A | 141.7° | 85.2° |
| O28 | C29 | C30 | H29 | 120.0° | 119.5° |
| O28 | C29 | C30 | H29A | 120.0° | 119.5° |
| O28 | C29 | C30 | C31 | 26.8° | 21.3° |
| C29 | O28 | C27 | H27 | 130.6° | 146.6° |
| O28 | C29 | H29 | H29A | 121.2° | 120.9° |
| O28 | C29 | C30 | H30 | 93.2° | 139.6° |
| O28 | C29 | C30 | H30A | 146.8° | 97.1° |
| C29 | C30 | C31 | H30 | 120.0° | 118.3° |
| C29 | C30 | C31 | H30A | 120.0° | 118.3° |
| C30 | C29 | H29 | H29A | 121.2° | 121.0° |
| C29 | C30 | H30 | H30A | 122.4° | 123.3° |
| C29 | C30 | C31 | H31 | 146.2° | 90.3° |
| C30 | C31 | C24 | H24 | 98.7° | 152.2° |
| C30 | C31 | C27 | H27 | 110.5° | 158.1° |
| C31 | C30 | C29 | H29 | 146.8° | 98.2° |
| C31 | C30 | C29 | H29A | 93.2° | 140.8° |
| C31 | C30 | H30 | H30A | 122.4° | 123.4° |
| C32 | C38 | C33 | C34 | 179.2° | 180.0° |
| C32 | C38 | C33 | C37 | 179.1° | 179.9° |
| C32 | C38 | C37 | C36 | 179.4° | 180.0° |
| C38 | C32 | C19 | H19 | 65.4° | 54.9° |
| C38 | C32 | H32 | H32A | 120.4° | 120.0° |
| C32 | C38 | C33 | H33 | 0.8° | 0.3° |
| C32 | C38 | C37 | H37 | 0.6° | 0.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | C33 | C38 | C37 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C38 | C33 | C34 | C35 | 0.2° | 0.0° |
| C33 | C38 | C37 | C36 | 0.3° | 0.0° |
| C33 | C38 | C32 | H32 | 11.4° | 30.0° |
| C33 | C38 | C32 | H32A | 131.4° | 150.0° |
| C38 | C33 | C34 | H34 | 179.8° | 180.0° |
| C33 | C38 | C37 | H37 | 179.7° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C33 | H33 | 179.8° | 179.7° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H35 | 179.9° | 179.9° |
| C37 | C38 | C32 | H32 | 169.5° | 150.0° |
| C37 | C38 | C32 | H32A | 49.5° | 30.0° |
| C37 | C38 | C33 | H33 | 179.9° | 179.7° |
| C38 | C37 | C36 | H36 | 179.8° | 180.0° |
| C43 | C42 | C47 | H42 | 118.9° | 120.0° |
| C42 | C43 | C44 | H43 | 120.0° | 119.9° |
| C42 | C43 | C44 | H43A | 120.0° | 120.0° |
| C42 | C43 | C44 | N45 | 57.8° | 59.1° |
| C43 | C42 | C47 | C46 | 66.4° | 57.7° |
| C43 | C42 | N24 | HN24 | 16.4° | 25.0° |
| C42 | C43 | H43 | H43A | 120.6° | 120.2° |
| C42 | C43 | C44 | H44 | 177.9° | 179.2° |
| C42 | C43 | C44 | H44A | 62.2° | 60.8° |
| C43 | C42 | C47 | H47 | 173.6° | 177.6° |
| C43 | C42 | C47 | H47A | 53.6° | 62.3° |
| C47 | C42 | C43 | C44 | 65.3° | 57.6° |
| C42 | C47 | C46 | N45 | 61.3° | 59.2° |
| C42 | C47 | C46 | H47 | 120.0° | 119.9° |
| C42 | C47 | C46 | H47A | 120.0° | 120.0° |
| C47 | C42 | N24 | HN24 | 141.9° | 94.7° |
| C47 | C42 | C43 | H43 | 54.7° | 62.2° |
| C47 | C42 | C43 | H43A | 174.7° | 177.6° |
| C42 | C47 | C46 | H46 | 178.7° | 179.2° |
| C42 | C47 | C46 | H46A | 58.7° | 60.8° |
| C42 | C47 | H47 | H47A | 121.3° | 120.1° |
| C43 | C44 | N45 | H44 | 120.0° | 120.1° |
| C43 | C44 | N45 | H44A | 120.0° | 120.0° |
| C43 | C44 | N45 | C46 | 53.5° | 61.7° |
| C43 | C44 | N45 | C48 | 174.6° | 174.2° |
| C44 | C43 | C42 | H42 | 52.6° | 62.4° |
| C44 | C43 | H43 | H43A | 120.7° | 120.0° |
| C43 | C44 | H44 | H44A | 119.4° | 120.0° |
| C44 | N45 | C46 | C48 | 122.0° | 124.1° |
| C44 | N45 | C46 | C47 | 55.6° | 61.7° |
| C44 | N45 | C48 | C49 | 7.8° | 61.3° |
| C44 | N45 | C48 | C52 | 126.7° | 176.1° |
| N45 | C44 | C43 | H43 | 62.1° | 60.8° |
| N45 | C44 | C43 | H43A | 177.8° | 179.1° |
| N45 | C44 | H44 | H44A | 119.4° | 119.9° |
| C44 | N45 | C46 | H46 | 175.6° | 178.2° |
| C44 | N45 | C46 | H46A | 64.4° | 58.3° |
| C44 | N45 | C48 | H48 | 112.2° | 61.2° |
| N45 | C46 | C47 | H46 | 120.0° | 120.1° |
| N45 | C46 | C47 | H46A | 120.0° | 120.0° |
| C46 | N45 | C48 | C49 | 131.4° | 174.4° |
| C46 | N45 | C48 | C52 | 109.7° | 59.6° |
| C46 | N45 | C44 | H44 | 173.5° | 178.2° |
| C46 | N45 | C44 | H44A | 66.5° | 58.3° |
| N45 | C46 | H46 | H46A | 119.4° | 120.0° |
| N45 | C46 | C47 | H47 | 178.7° | 179.1° |
| N45 | C46 | C47 | H47A | 58.7° | 60.8° |
| C46 | N45 | C48 | H48 | 11.4° | 63.0° |
| C48 | N45 | C46 | C47 | 177.6° | 174.1° |
| N45 | C48 | C49 | C52 | 121.3° | 118.7° |
| N45 | C48 | C49 | H48 | 117.5° | 122.5° |
| N45 | C48 | C52 | H48 | 117.5° | 122.5° |
| N45 | C48 | C49 | C50 | 138.0° | 142.3° |
| N45 | C48 | C52 | C51 | 141.2° | 156.6° |
| C48 | N45 | C44 | H44 | 65.4° | 54.1° |
| C48 | N45 | C44 | H44A | 54.6° | 65.9° |
| C48 | N45 | C46 | H46 | 62.4° | 54.1° |
| C48 | N45 | C46 | H46A | 57.6° | 65.9° |
| N45 | C48 | C49 | H49 | 18.0° | 23.0° |
| N45 | C48 | C49 | H49A | 102.0° | 98.4° |
| N45 | C48 | C52 | H52 | 98.8° | 85.0° |
| N45 | C48 | C52 | H52A | 21.1° | 38.3° |
| C46 | C47 | C42 | H42 | 52.5° | 62.3° |
| C47 | C46 | H46 | H46A | 119.5° | 119.9° |
| C46 | C47 | H47 | H47A | 121.3° | 120.1° |
| C49 | C48 | C52 | H48 | 120.1° | 118.7° |
| C48 | C49 | C50 | H49 | 120.0° | 119.3° |
| C48 | C49 | C50 | H49A | 120.0° | 119.3° |
| C48 | C49 | C50 | C51 | 8.2° | 0.0° |
| C49 | C48 | C52 | C51 | 18.8° | 37.9° |
| C48 | C49 | H49 | H49A | 120.7° | 121.5° |
| C48 | C49 | C50 | H50 | 128.2° | 119.3° |
| C48 | C49 | C50 | H50A | 111.8° | 119.3° |
| C49 | C48 | C52 | H52 | 138.8° | 156.3° |
| C49 | C48 | C52 | H52A | 101.2° | 80.4° |
| C52 | C48 | C49 | C50 | 16.7° | 23.6° |
| C48 | C52 | C51 | C50 | 13.8° | 37.9° |
| C48 | C52 | C51 | H52 | 120.0° | 118.3° |
| C48 | C52 | C51 | H52A | 120.0° | 118.3° |
| C52 | C48 | C49 | H49 | 103.3° | 95.7° |
| C52 | C48 | C49 | H49A | 136.6° | 142.8° |
| C48 | C52 | C51 | H51 | 133.8° | 156.6° |
| C48 | C52 | C51 | H51A | 106.2° | 80.8° |
| C48 | C52 | H52 | H52A | 120.9° | 123.3° |
| C49 | C50 | C51 | H50 | 120.0° | 119.3° |
| C49 | C50 | C51 | H50A | 120.0° | 119.3° |
| C49 | C50 | C51 | C52 | 3.4° | 23.6° |
| C50 | C49 | C48 | H48 | 104.5° | 95.2° |
| C50 | C49 | H49 | H49A | 120.7° | 121.4° |
| C49 | C50 | H50 | H50A | 120.8° | 121.5° |
| C49 | C50 | C51 | H51 | 123.4° | 142.3° |
| C49 | C50 | C51 | H51A | 116.6° | 95.1° |
| C50 | C51 | C52 | H51 | 120.0° | 118.7° |
| C50 | C51 | C52 | H51A | 120.0° | 118.7° |
| C51 | C50 | C49 | H49 | 111.8° | 119.3° |
| C51 | C50 | C49 | H49A | 128.2° | 119.3° |
| C51 | C50 | H50 | H50A | 120.8° | 121.4° |
| C50 | C51 | H51 | H51A | 120.8° | 122.6° |
| C50 | C51 | C52 | H52 | 133.8° | 156.3° |
| C50 | C51 | C52 | H52A | 106.2° | 80.4° |
| C51 | C52 | C48 | H48 | 101.3° | 80.8° |
| C52 | C51 | C50 | H50 | 116.6° | 95.7° |
| C52 | C51 | C50 | H50A | 123.5° | 142.9° |
| C52 | C51 | H51 | H51A | 120.8° | 122.6° |
| C51 | C52 | H52 | H52A | 120.8° | 123.4° |
| H6 | C6 | C7 | H7 | 0.5° | 0.1° |
| H12 | C12 | C13 | H13 | 173.9° | 65.0° |
| H12A | C12 | C13 | H13 | 54.0° | 175.1° |
| H13 | C13 | C14 | H14 | 62.9° | NaN° |
| H13 | C13 | C14 | H14A | 57.1° | 60.1° |
| H13 | C13 | C14 | H14B | 177.2° | 60.0° |
| H13 | C13 | C15 | H15 | 62.7° | 179.9° |
| H13 | C13 | C15 | H15A | 177.4° | 60.0° |
| H13 | C13 | C15 | H15B | 57.4° | 60.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 70.7° | 175.0° |
| H16A | C16 | C17 | H17 | 169.3° | 65.0° |
| H17 | C17 | O18 | HO18 | 61.7° | 180.0° |
| H17 | C17 | C19 | H19 | 75.7° | 64.9° |
| H19 | C19 | N20 | HN20 | 171.0° | 145.0° |
| H19 | C19 | C32 | H32 | 174.6° | 175.0° |
| H19 | C19 | C32 | H32A | 54.5° | 65.1° |
| H24 | C24 | C25 | H25 | 29.4° | 2.9° |
| H24 | C24 | C25 | H25A | 90.6° | 118.2° |
| H24 | C24 | C31 | H31 | 21.6° | 22.9° |
| HN24 | N24 | C42 | H42 | 101.5° | 145.2° |
| H27 | C27 | C31 | H31 | 9.4° | 34.3° |
| H29 | C29 | C30 | H30 | 26.8° | 20.1° |
| H29 | C29 | C30 | H30A | 93.3° | 143.5° |
| H29A | C29 | C30 | H30 | 146.8° | 100.9° |
| H29A | C29 | C30 | H30A | 26.8° | 22.5° |
| H30 | C30 | C31 | H31 | 26.2° | 28.0° |
| H30A | C30 | C31 | H31 | 93.8° | 151.4° |
| H33 | C33 | C34 | H34 | 0.1° | 0.3° |
| H34 | C34 | C35 | H35 | 0.3° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| H42 | C42 | C43 | H43 | 172.6° | 177.8° |
| H42 | C42 | C43 | H43A | 67.4° | 57.6° |
| H42 | C42 | C47 | H47 | 67.5° | 57.6° |
| H42 | C42 | C47 | H47A | 172.5° | 177.8° |
| H43 | C43 | C44 | H44 | 57.9° | 59.2° |
| H43 | C43 | C44 | H44A | 177.9° | 179.2° |
| H43A | C43 | C44 | H44 | 62.2° | 60.8° |
| H43A | C43 | C44 | H44A | 57.8° | 59.2° |
| H46 | C46 | C47 | H47 | 58.7° | 60.8° |
| H46 | C46 | C47 | H47A | 61.3° | 59.3° |
| H46A | C46 | C47 | H47 | 61.3° | 59.1° |
| H46A | C46 | C47 | H47A | 178.7° | 179.2° |
| H48 | C48 | C49 | H49 | 135.5° | 145.5° |
| H48 | C48 | C49 | H49A | 15.4° | 24.0° |
| H48 | C48 | C52 | H52 | 18.7° | 37.5° |
| H48 | C48 | C52 | H52A | 138.7° | 160.9° |
| H49 | C49 | C50 | H50 | 8.2° | 0.0° |
| H49 | C49 | C50 | H50A | 128.2° | 121.5° |
| H49A | C49 | C50 | H50 | 111.8° | 121.5° |
| H49A | C49 | C50 | H50A | 8.2° | 0.0° |
| H50 | C50 | C51 | H51 | 3.4° | 23.0° |
| H50 | C50 | C51 | H51A | 123.5° | 145.6° |
| H50A | C50 | C51 | H51 | 116.6° | 98.4° |
| H50A | C50 | C51 | H51A | 3.5° | 24.2° |
| H51 | C51 | C52 | H52 | 106.2° | 85.0° |
| H51 | C51 | C52 | H52A | 13.8° | 38.4° |
| H51A | C51 | C52 | H52 | 13.8° | 37.6° |
| H51A | C51 | C52 | H52A | 133.8° | 161.0° |
