UH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N7 | sing | 1.46Å | 1.45Å | |
| N7 | N8 | sing | 1.29Å | 1.33Å | Aromatic |
| N7 | N6 | sing | 1.29Å | 1.34Å | Aromatic |
| N8 | N9 | doub | 1.29Å | 1.38Å | Aromatic |
| N6 | C28 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C28 | sing | 1.34Å | 1.33Å | Aromatic |
| C42 | C37 | sing | 1.53Å | 1.55Å | |
| C28 | C25 | sing | 1.48Å | 1.50Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | C33 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.52Å | 1.55Å | |
| C38 | O5 | sing | 1.44Å | 1.43Å | |
| C38 | C39 | sing | 1.52Å | 1.54Å | |
| C37 | O3 | sing | 1.44Å | 1.44Å | |
| C33 | O6 | sing | 1.42Å | 1.40Å | |
| C33 | O15 | sing | 1.43Å | 1.40Å | |
| C25 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| O6 | C39 | sing | 1.42Å | 1.43Å | |
| O10 | C6 | sing | 1.43Å | 1.43Å | |
| C12 | C18 | sing | 1.53Å | 1.55Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C19 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C23 | C6 | sing | 1.53Å | 1.55Å | |
| O3 | C44 | sing | 1.43Å | 1.43Å | |
| O11 | C8 | sing | 1.45Å | 1.44Å | |
| O11 | C2 | sing | 1.34Å | 1.35Å | |
| C8 | C6 | sing | 1.53Å | 1.57Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.58Å | |
| O15 | C35 | sing | 1.43Å | 1.43Å | |
| C11 | C9 | sing | 1.53Å | 1.54Å | |
| C16 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C35 | sing | 1.53Å | 1.57Å | |
| C18 | C2 | sing | 1.51Å | 1.54Å | |
| C22 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C50 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| O9 | C5 | sing | 1.44Å | 1.43Å | |
| C13 | C10 | sing | 1.48Å | 1.49Å | |
| C5 | C3 | sing | 1.52Å | 1.59Å | |
| O8 | C53 | sing | 1.43Å | 1.42Å | |
| C50 | C52 | sing | 1.52Å | 1.57Å | |
| C50 | C14 | sing | 1.54Å | 1.55Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C10 | C49 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C49 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | O14 | sing | 1.43Å | 1.42Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C3 | C21 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.50Å | 1.49Å | |
| C52 | C53 | sing | 1.54Å | 1.57Å | |
| C52 | O12 | sing | 1.43Å | 1.43Å | |
| O14 | C24 | sing | 1.43Å | 1.40Å | |
| C53 | C15 | sing | 1.52Å | 1.54Å | |
| C53 | C54 | sing | 1.52Å | 1.57Å | |
| C24 | O12 | sing | 1.43Å | 1.40Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| F1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | S1 | sing | 1.81Å | 1.82Å | |
| C57 | C45 | sing | 1.53Å | 1.55Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C46 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C20 | sing | 1.51Å | 1.47Å | |
| N1 | C56 | sing | 1.49Å | 1.47Å | |
| S1 | C58 | sing | 1.81Å | 1.82Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C27 | N3 | sing | 1.47Å | 1.48Å | |
| C56 | C55 | sing | 1.52Å | 1.56Å | |
| C26 | O13 | sing | 1.43Å | 1.42Å | |
| C58 | C48 | sing | 1.51Å | 1.53Å | |
| C54 | C55 | sing | 1.51Å | 1.55Å | |
| C4 | C43 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | N3 | sing | 1.47Å | 1.47Å | |
| C43 | N2 | sing | 1.40Å | 1.41Å | |
| C55 | C17 | sing | 1.52Å | 1.54Å | |
| N3 | C47 | sing | 1.47Å | 1.47Å | |
| O7 | C48 | doub | 1.21Å | 1.23Å | |
| C48 | N4 | sing | 1.35Å | 1.34Å | |
| N2 | C1 | sing | 1.34Å | 1.40Å | |
| N2 | C40 | sing | 1.47Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | O4 | sing | 1.34Å | 1.35Å | |
| N4 | C51 | sing | 1.46Å | 1.47Å | |
| C40 | C34 | sing | 1.54Å | 1.51Å | |
| O4 | C34 | sing | 1.46Å | 1.41Å | |
| C51 | C34 | sing | 1.53Å | 1.55Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O8 | H15 | sing | 0.97Å | 0.95Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å | |
| O10 | H23 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | H33 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.10Å | 1.10Å | |
| C39 | H59 | sing | 1.11Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C45 | H72 | sing | 1.09Å | 1.10Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.08Å | 1.08Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C49 | H77 | sing | 1.08Å | 1.08Å | |
| C50 | H78 | sing | 1.08Å | 1.10Å | |
| C51 | H79 | sing | 1.09Å | 1.10Å | |
| C51 | H80 | sing | 1.09Å | 1.10Å | |
| C52 | H81 | sing | 1.09Å | 1.10Å | |
| C54 | H82 | sing | 1.10Å | 1.10Å | |
| C54 | H83 | sing | 1.11Å | 1.10Å | |
| C55 | H84 | sing | 1.12Å | 1.10Å | |
| C56 | H85 | sing | 1.10Å | 1.10Å | |
| C56 | H86 | sing | 1.08Å | 1.10Å | |
| C57 | H87 | sing | 1.09Å | 1.10Å | |
| C57 | H88 | sing | 1.09Å | 1.10Å | |
| C58 | H89 | sing | 1.09Å | 1.10Å | |
| C58 | H90 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N7 | N8 | 122.4° | 125.3° |
| C31 | N7 | N6 | 122.2° | 125.4° |
| N7 | C31 | H47 | 109.5° | 109.5° |
| N7 | C31 | H49 | 109.4° | 109.4° |
| N7 | C31 | H48 | 109.5° | 109.5° |
| N8 | N7 | N6 | 114.8° | 109.3° |
| N7 | N8 | N9 | 103.5° | 108.9° |
| N7 | N6 | C28 | 101.7° | 107.8° |
| N8 | N9 | C28 | 106.1° | 107.3° |
| N6 | C28 | N9 | 113.9° | 106.6° |
| N6 | C28 | C25 | 122.5° | 126.7° |
| N9 | C28 | C25 | 123.6° | 126.6° |
| C42 | C37 | C36 | 110.2° | 110.2° |
| C42 | C37 | C38 | 111.4° | 111.0° |
| C42 | C37 | O3 | 106.2° | 107.6° |
| C37 | C42 | H65 | 109.5° | 109.4° |
| C37 | C42 | H67 | 109.5° | 109.5° |
| C37 | C42 | H66 | 109.5° | 109.5° |
| C28 | C25 | C19 | 121.8° | 119.6° |
| C28 | C25 | N5 | 116.7° | 119.5° |
| C37 | C36 | C33 | 114.3° | 110.3° |
| C36 | C37 | C38 | 108.5° | 111.8° |
| C36 | C37 | O3 | 114.5° | 107.9° |
| C37 | C36 | H57 | 108.2° | 109.5° |
| C37 | C36 | H56 | 108.3° | 109.6° |
| C36 | C33 | O6 | 111.9° | 109.0° |
| C36 | C33 | O15 | 108.5° | 109.1° |
| C36 | C33 | H53 | 107.0° | 110.3° |
| C33 | C36 | H57 | 108.3° | 109.3° |
| C33 | C36 | H56 | 108.2° | 109.4° |
| C37 | C38 | O5 | 111.3° | 109.0° |
| C37 | C38 | C39 | 108.7° | 114.5° |
| C38 | C37 | O3 | 106.0° | 108.2° |
| C37 | C38 | H58 | 107.5° | 108.4° |
| O5 | C38 | C39 | 112.7° | 109.1° |
| C38 | O5 | H5 | 109.5° | 114.0° |
| O5 | C38 | H58 | 109.0° | 107.0° |
| C38 | C39 | O6 | 112.1° | 113.3° |
| C38 | C39 | C41 | 113.7° | 111.2° |
| C39 | C38 | H58 | 107.5° | 108.6° |
| C38 | C39 | H59 | 107.7° | 107.3° |
| C37 | O3 | C44 | 119.4° | 114.0° |
| O6 | C33 | O15 | 112.0° | 109.1° |
| C33 | O6 | C39 | 116.1° | 116.6° |
| O6 | C33 | H53 | 108.7° | 110.6° |
| C33 | O15 | C35 | 117.3° | 114.0° |
| O15 | C33 | H53 | 108.7° | 108.7° |
| C19 | C25 | N5 | 121.5° | 120.8° |
| C25 | C19 | C16 | 119.1° | 119.2° |
| C25 | C19 | H29 | 120.4° | 120.4° |
| C25 | N5 | C22 | 118.6° | 121.7° |
| O6 | C39 | C41 | 106.2° | 110.8° |
| O6 | C39 | H59 | 109.2° | 107.1° |
| O10 | C6 | C23 | 101.1° | 109.9° |
| O10 | C6 | C8 | 103.6° | 109.4° |
| O10 | C6 | C5 | 106.5° | 109.6° |
| C6 | O10 | H23 | 109.5° | 114.0° |
| C12 | C18 | C35 | 116.6° | 109.4° |
| C12 | C18 | C2 | 113.0° | 109.1° |
| C18 | C12 | H12 | 109.5° | 109.4° |
| C18 | C12 | H14 | 109.4° | 109.5° |
| C18 | C12 | H13 | 109.5° | 109.4° |
| C12 | C18 | H28 | 104.8° | 108.9° |
| C41 | C39 | H59 | 107.8° | 106.7° |
| C39 | C41 | H64 | 109.5° | 109.5° |
| C39 | C41 | H63 | 109.5° | 109.5° |
| C39 | C41 | H62 | 109.4° | 109.5° |
| C19 | C16 | C13 | 120.3° | 118.4° |
| C19 | C16 | H24 | 119.8° | 120.8° |
| C16 | C19 | H29 | 120.5° | 120.4° |
| N5 | C22 | C13 | 123.5° | 120.8° |
| N5 | C22 | H37 | 118.2° | 119.6° |
| C23 | C6 | C8 | 111.3° | 108.8° |
| C23 | C6 | C5 | 114.0° | 109.9° |
| C6 | C23 | H38 | 109.5° | 109.5° |
| C6 | C23 | H40 | 109.5° | 109.5° |
| C6 | C23 | H39 | 109.4° | 109.5° |
| O3 | C44 | H68 | 109.5° | 109.5° |
| O3 | C44 | H70 | 109.5° | 109.5° |
| O3 | C44 | H69 | 109.5° | 109.5° |
| C8 | O11 | C2 | 125.3° | 118.3° |
| O11 | C8 | C6 | 114.2° | 109.2° |
| O11 | C8 | C9 | 115.4° | 109.2° |
| O11 | C8 | H6 | 102.4° | 110.4° |
| O11 | C2 | C18 | 114.0° | 119.7° |
| O11 | C2 | O2 | 125.5° | 120.5° |
| C6 | C8 | C9 | 118.4° | 108.9° |
| C8 | C6 | C5 | 118.1° | 109.2° |
| C6 | C8 | H6 | 101.4° | 109.9° |
| C8 | C9 | C11 | 112.8° | 109.5° |
| C9 | C8 | H6 | 101.5° | 109.2° |
| C8 | C9 | H7 | 108.6° | 109.5° |
| C8 | C9 | H8 | 108.6° | 109.5° |
| C6 | C5 | O9 | 106.7° | 108.9° |
| C6 | C5 | C3 | 119.9° | 111.2° |
| C6 | C5 | H3 | 105.5° | 108.3° |
| O15 | C35 | C18 | 112.1° | 109.3° |
| O15 | C35 | C50 | 106.4° | 108.9° |
| O15 | C35 | H55 | 110.0° | 109.1° |
| C11 | C9 | H7 | 108.6° | 109.5° |
| C11 | C9 | H8 | 108.6° | 109.5° |
| C9 | C11 | H10 | 109.5° | 109.5° |
| C9 | C11 | H9 | 109.5° | 109.5° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C16 | C13 | C22 | 117.1° | 119.1° |
| C16 | C13 | C10 | 121.5° | 120.4° |
| C13 | C16 | H24 | 119.9° | 120.8° |
| C35 | C18 | C2 | 111.5° | 109.9° |
| C18 | C35 | C50 | 111.8° | 110.4° |
| C35 | C18 | H28 | 104.7° | 110.0° |
| C18 | C35 | H55 | 108.2° | 109.9° |
| C18 | C2 | O2 | 120.5° | 119.8° |
| C2 | C18 | H28 | 105.0° | 109.4° |
| C22 | C13 | C10 | 121.4° | 120.5° |
| C13 | C22 | H37 | 118.3° | 119.6° |
| C35 | C50 | C52 | 113.1° | 109.5° |
| C35 | C50 | C14 | 112.4° | 108.2° |
| C50 | C35 | H55 | 108.3° | 109.3° |
| C35 | C50 | H78 | 105.6° | 110.1° |
| O9 | C5 | C3 | 111.5° | 109.1° |
| O9 | C5 | H3 | 107.1° | 108.5° |
| C5 | O9 | H19 | 109.5° | 114.0° |
| C13 | C10 | C49 | 120.1° | 120.1° |
| C13 | C10 | C7 | 121.6° | 120.1° |
| C5 | C3 | C21 | 115.8° | 110.2° |
| C5 | C3 | N1 | 115.6° | 111.3° |
| C3 | C5 | H3 | 105.4° | 110.7° |
| C5 | C3 | H1 | 105.0° | 111.2° |
| O8 | C53 | C52 | 106.6° | 108.2° |
| O8 | C53 | C15 | 102.6° | 109.4° |
| O8 | C53 | C54 | 111.4° | 109.7° |
| C53 | O8 | H15 | 109.5° | 114.0° |
| C52 | C50 | C14 | 113.6° | 108.6° |
| C50 | C52 | C53 | 115.7° | 112.3° |
| C50 | C52 | O12 | 110.2° | 109.6° |
| C52 | C50 | H78 | 105.5° | 112.3° |
| C50 | C52 | H81 | 107.3° | 109.5° |
| C50 | C14 | H18 | 109.5° | 109.4° |
| C50 | C14 | H17 | 109.5° | 109.4° |
| C50 | C14 | H16 | 109.5° | 109.4° |
| C14 | C50 | H78 | 105.7° | 108.1° |
| C32 | C30 | O14 | 108.2° | 109.5° |
| C32 | C30 | C29 | 111.6° | 109.5° |
| C32 | C30 | H46 | 108.4° | 109.5° |
| C30 | C32 | H51 | 109.5° | 109.5° |
| C30 | C32 | H50 | 109.5° | 109.4° |
| C30 | C32 | H52 | 109.4° | 109.4° |
| C49 | C10 | C7 | 118.3° | 119.8° |
| C10 | C49 | C46 | 121.0° | 120.0° |
| C10 | C49 | H77 | 119.5° | 120.0° |
| C10 | C7 | F1 | 120.8° | 120.1° |
| C10 | C7 | C4 | 120.8° | 119.9° |
| C49 | C46 | C43 | 120.7° | 120.1° |
| C49 | C46 | H73 | 119.7° | 120.0° |
| C46 | C49 | H77 | 119.5° | 120.0° |
| O14 | C30 | C29 | 110.4° | 109.4° |
| C30 | O14 | C24 | 114.7° | 114.1° |
| O14 | C30 | H46 | 109.9° | 109.5° |
| C30 | C29 | C27 | 112.1° | 109.2° |
| C30 | C29 | H45 | 108.8° | 109.5° |
| C30 | C29 | H44 | 108.8° | 109.6° |
| C29 | C30 | H46 | 108.3° | 109.5° |
| C21 | C3 | N1 | 108.1° | 108.1° |
| C3 | C21 | H34 | 109.5° | 109.5° |
| C3 | C21 | H36 | 109.5° | 109.5° |
| C3 | C21 | H35 | 109.5° | 109.6° |
| C21 | C3 | H1 | 105.4° | 108.8° |
| C3 | N1 | C20 | 115.0° | 102.6° |
| C3 | N1 | C56 | 112.2° | 107.3° |
| N1 | C3 | H1 | 106.0° | 107.2° |
| C53 | C52 | O12 | 107.1° | 108.7° |
| C52 | C53 | C15 | 112.9° | 109.0° |
| C52 | C53 | C54 | 112.1° | 107.3° |
| C53 | C52 | H81 | 107.4° | 108.1° |
| C52 | O12 | C24 | 116.1° | 114.0° |
| O12 | C52 | H81 | 109.1° | 108.5° |
| O14 | C24 | O12 | 107.8° | 109.5° |
| O14 | C24 | C26 | 109.8° | 109.4° |
| O14 | C24 | H41 | 111.1° | 109.5° |
| C15 | C53 | C54 | 110.8° | 113.1° |
| C53 | C15 | H22 | 109.5° | 109.5° |
| C53 | C15 | H21 | 109.5° | 109.4° |
| C53 | C15 | H20 | 109.5° | 109.4° |
| C53 | C54 | C55 | 117.5° | 117.7° |
| C53 | C54 | H82 | 107.4° | 108.2° |
| C53 | C54 | H83 | 107.4° | 108.0° |
| O12 | C24 | C26 | 107.7° | 109.5° |
| O12 | C24 | H41 | 111.2° | 109.4° |
| C24 | C26 | C27 | 110.1° | 109.2° |
| C24 | C26 | O13 | 111.6° | 109.5° |
| C26 | C24 | H41 | 109.2° | 109.5° |
| C24 | C26 | H42 | 108.1° | 109.5° |
| F1 | C7 | C4 | 118.4° | 120.0° |
| C7 | C4 | C43 | 121.0° | 120.0° |
| C7 | C4 | H2 | 119.5° | 120.0° |
| S1 | C57 | C45 | 115.5° | 109.5° |
| C57 | S1 | C58 | 101.8° | 103.0° |
| S1 | C57 | H87 | 107.9° | 109.4° |
| S1 | C57 | H88 | 107.9° | 109.5° |
| C57 | C45 | N3 | 111.8° | 109.5° |
| C57 | C45 | H72 | 108.9° | 109.5° |
| C57 | C45 | H71 | 108.9° | 109.5° |
| C45 | C57 | H87 | 107.9° | 109.5° |
| C45 | C57 | H88 | 107.9° | 109.5° |
| C29 | C27 | C26 | 111.5° | 109.0° |
| C29 | C27 | N3 | 110.0° | 109.5° |
| C29 | C27 | H43 | 105.1° | 109.6° |
| C27 | C29 | H45 | 108.8° | 109.5° |
| C27 | C29 | H44 | 108.8° | 109.5° |
| C46 | C43 | C4 | 118.3° | 120.2° |
| C46 | C43 | N2 | 122.2° | 120.0° |
| C43 | C46 | H73 | 119.7° | 119.9° |
| C20 | N1 | C56 | 117.8° | 104.3° |
| N1 | C20 | H32 | 109.5° | 109.5° |
| N1 | C20 | H31 | 109.5° | 109.5° |
| N1 | C20 | H30 | 109.5° | 109.5° |
| N1 | C56 | C55 | 118.6° | 111.1° |
| N1 | C56 | H85 | 107.1° | 107.5° |
| N1 | C56 | H86 | 107.2° | 110.3° |
| S1 | C58 | C48 | 114.7° | 109.5° |
| S1 | C58 | H89 | 108.1° | 109.5° |
| S1 | C58 | H90 | 108.2° | 109.5° |
| C26 | C27 | N3 | 118.7° | 109.6° |
| C27 | C26 | O13 | 109.6° | 109.5° |
| C27 | C26 | H42 | 107.8° | 109.5° |
| C26 | C27 | H43 | 104.7° | 109.5° |
| C27 | N3 | C45 | 114.6° | 111.1° |
| C27 | N3 | C47 | 115.1° | 111.0° |
| N3 | C27 | H43 | 105.6° | 109.6° |
| C56 | C55 | C54 | 110.3° | 111.5° |
| C56 | C55 | C17 | 111.4° | 113.6° |
| C56 | C55 | H84 | 107.8° | 105.4° |
| C55 | C56 | H85 | 107.1° | 108.5° |
| C55 | C56 | H86 | 107.1° | 110.8° |
| O13 | C26 | H42 | 109.6° | 109.5° |
| C26 | O13 | H33 | 109.5° | 114.0° |
| C58 | C48 | O7 | 120.1° | 120.0° |
| C58 | C48 | N4 | 117.4° | 120.0° |
| C48 | C58 | H89 | 108.2° | 109.5° |
| C48 | C58 | H90 | 108.2° | 109.4° |
| C54 | C55 | C17 | 111.4° | 114.1° |
| C55 | C54 | H82 | 107.4° | 108.5° |
| C55 | C54 | H83 | 107.4° | 108.3° |
| C54 | C55 | H84 | 107.9° | 105.8° |
| C4 | C43 | N2 | 119.5° | 119.9° |
| C43 | C4 | H2 | 119.5° | 120.0° |
| C45 | N3 | C47 | 112.6° | 111.0° |
| N3 | C45 | H72 | 108.9° | 109.5° |
| N3 | C45 | H71 | 108.9° | 109.4° |
| C43 | N2 | C1 | 126.0° | 125.5° |
| C43 | N2 | C40 | 124.7° | 125.6° |
| C55 | C17 | H25 | 109.5° | 109.5° |
| C55 | C17 | H27 | 109.5° | 109.5° |
| C55 | C17 | H26 | 109.5° | 109.5° |
| C17 | C55 | H84 | 108.0° | 105.5° |
| N3 | C47 | H74 | 109.5° | 109.4° |
| N3 | C47 | H76 | 109.5° | 109.5° |
| N3 | C47 | H75 | 109.5° | 109.4° |
| O7 | C48 | N4 | 122.5° | 120.0° |
| C48 | N4 | C51 | 125.7° | 120.0° |
| C48 | N4 | H4 | 117.1° | 119.9° |
| C1 | N2 | C40 | 108.3° | 108.8° |
| N2 | C1 | O1 | 131.0° | 123.0° |
| N2 | C1 | O4 | 107.7° | 113.8° |
| N2 | C40 | C34 | 104.8° | 103.8° |
| N2 | C40 | H60 | 110.6° | 110.5° |
| N2 | C40 | H61 | 110.6° | 110.5° |
| O1 | C1 | O4 | 121.3° | 123.1° |
| C1 | O4 | C34 | 114.0° | 109.5° |
| N4 | C51 | C34 | 116.4° | 109.5° |
| C51 | N4 | H4 | 117.1° | 120.0° |
| N4 | C51 | H79 | 107.7° | 109.4° |
| N4 | C51 | H80 | 107.7° | 109.4° |
| C40 | C34 | O4 | 102.3° | 104.0° |
| C40 | C34 | C51 | 116.5° | 110.9° |
| C40 | C34 | H54 | 108.9° | 110.2° |
| C34 | C40 | H60 | 110.7° | 110.4° |
| C34 | C40 | H61 | 110.6° | 110.8° |
| O4 | C34 | C51 | 110.1° | 110.5° |
| O4 | C34 | H54 | 110.4° | 110.6° |
| C51 | C34 | H54 | 108.4° | 110.5° |
| C34 | C51 | H79 | 107.7° | 109.5° |
| C34 | C51 | H80 | 107.7° | 109.5° |
| H22 | C15 | H21 | 109.4° | 109.5° |
| H22 | C15 | H20 | 109.5° | 109.5° |
| H21 | C15 | H20 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.4° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H27 | C17 | H26 | 109.5° | 109.5° |
| H32 | C20 | H31 | 109.5° | 109.4° |
| H32 | C20 | H30 | 109.4° | 109.5° |
| H31 | C20 | H30 | 109.5° | 109.5° |
| H34 | C21 | H36 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C21 | H35 | 109.4° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H10 | C11 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.5° |
| H18 | C14 | H16 | 109.4° | 109.5° |
| H17 | C14 | H16 | 109.5° | 109.5° |
| H38 | C23 | H40 | 109.5° | 109.5° |
| H38 | C23 | H39 | 109.4° | 109.4° |
| H40 | C23 | H39 | 109.5° | 109.4° |
| H45 | C29 | H44 | 109.5° | 109.6° |
| H47 | C31 | H49 | 109.5° | 109.5° |
| H47 | C31 | H48 | 109.4° | 109.5° |
| H49 | C31 | H48 | 109.5° | 109.5° |
| H51 | C32 | H50 | 109.5° | 109.5° |
| H51 | C32 | H52 | 109.5° | 109.6° |
| H50 | C32 | H52 | 109.5° | 109.4° |
| H57 | C36 | H56 | 109.5° | 108.7° |
| H60 | C40 | H61 | 109.4° | 110.6° |
| H64 | C41 | H63 | 109.5° | 109.5° |
| H64 | C41 | H62 | 109.5° | 109.5° |
| H63 | C41 | H62 | 109.5° | 109.4° |
| H65 | C42 | H67 | 109.4° | 109.4° |
| H65 | C42 | H66 | 109.4° | 109.5° |
| H67 | C42 | H66 | 109.5° | 109.5° |
| H68 | C44 | H70 | 109.5° | 109.5° |
| H68 | C44 | H69 | 109.5° | 109.5° |
| H70 | C44 | H69 | 109.4° | 109.5° |
| H72 | C45 | H71 | 109.5° | 109.4° |
| H74 | C47 | H76 | 109.5° | 109.5° |
| H74 | C47 | H75 | 109.5° | 109.5° |
| H76 | C47 | H75 | 109.5° | 109.5° |
| H79 | C51 | H80 | 109.5° | 109.5° |
| H82 | C54 | H83 | 109.5° | 105.5° |
| H85 | C56 | H86 | 109.5° | 108.5° |
| H87 | C57 | H88 | 109.5° | 109.4° |
| H89 | C58 | H90 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N7 | N8 | N6 | 171.4° | 179.8° |
| C31 | N7 | N8 | N9 | 174.2° | 179.9° |
| C31 | N7 | N6 | C28 | 174.1° | 179.8° |
| N7 | C31 | H47 | H49 | 120.0° | 120.0° |
| N7 | C31 | H47 | H48 | 120.0° | 120.1° |
| N7 | C31 | H49 | H48 | 120.0° | 120.0° |
| N8 | N7 | N6 | C28 | 2.7° | 0.0° |
| N7 | N8 | N9 | C28 | 1.7° | 0.3° |
| N8 | N7 | C31 | H47 | 0.0° | 90.0° |
| N8 | N7 | C31 | H49 | 120.0° | 150.0° |
| N8 | N7 | C31 | H48 | 120.0° | 30.0° |
| N6 | N7 | N8 | N9 | 2.8° | 0.2° |
| N7 | N6 | C28 | N9 | 1.4° | 0.2° |
| N7 | N6 | C28 | C25 | 178.8° | 180.0° |
| N6 | N7 | C31 | H47 | 170.8° | 89.7° |
| N6 | N7 | C31 | H49 | 69.2° | 30.3° |
| N6 | N7 | C31 | H48 | 50.8° | 150.2° |
| N8 | N9 | C28 | N6 | 0.2° | 0.3° |
| N8 | N9 | C28 | C25 | 179.6° | 179.9° |
| N6 | C28 | N9 | C25 | 179.8° | 179.8° |
| N6 | C28 | C25 | C19 | 6.1° | 180.0° |
| N6 | C28 | C25 | N5 | 173.9° | 0.3° |
| N9 | C28 | C25 | C19 | 174.1° | 0.2° |
| N9 | C28 | C25 | N5 | 5.9° | 179.5° |
| C42 | C37 | C36 | C38 | 122.3° | 123.9° |
| C42 | C37 | C36 | O3 | 119.6° | 117.2° |
| C42 | C37 | C36 | C33 | 172.7° | 73.0° |
| C42 | C37 | C38 | O3 | 115.1° | 117.8° |
| C42 | C37 | C38 | O5 | 60.3° | 155.9° |
| C42 | C37 | C38 | C39 | 175.1° | 81.6° |
| C42 | C37 | O3 | C44 | 69.6° | 58.9° |
| C42 | C37 | C36 | H57 | 66.6° | 47.4° |
| C42 | C37 | C36 | H56 | 52.0° | 166.5° |
| C42 | C37 | C38 | H58 | 59.1° | 39.8° |
| C37 | C42 | H65 | H67 | 120.0° | 120.0° |
| C37 | C42 | H65 | H66 | 120.0° | 120.0° |
| C37 | C42 | H67 | H66 | 120.0° | 120.0° |
| C28 | C25 | C19 | N5 | 180.0° | 179.7° |
| C28 | C25 | C19 | C16 | 179.8° | 180.0° |
| C28 | C25 | N5 | C22 | 179.9° | 180.0° |
| C28 | C25 | C19 | H29 | 0.3° | 0.1° |
| C37 | C36 | C33 | H57 | 120.7° | 120.5° |
| C37 | C36 | C33 | H56 | 120.7° | 120.6° |
| C36 | C37 | C38 | O3 | 123.4° | 118.7° |
| C36 | C37 | C38 | O5 | 178.2° | 80.6° |
| C36 | C37 | C38 | C39 | 53.6° | 41.9° |
| C37 | C36 | C33 | O6 | 48.1° | 58.8° |
| C37 | C36 | C33 | O15 | 75.9° | 177.8° |
| C36 | C37 | O3 | C44 | 52.2° | 60.0° |
| C37 | C36 | C33 | H53 | 167.0° | 62.9° |
| C37 | C36 | H57 | H56 | 117.8° | 119.7° |
| C36 | C37 | C38 | H58 | 62.4° | 163.2° |
| C36 | C37 | C42 | H65 | 180.0° | 60.0° |
| C36 | C37 | C42 | H67 | 60.0° | 180.0° |
| C36 | C37 | C42 | H66 | 60.0° | 60.0° |
| C33 | C36 | C37 | C38 | 50.5° | 50.9° |
| C33 | C36 | C37 | O3 | 67.7° | 169.8° |
| C36 | C33 | O6 | O15 | 122.0° | 119.0° |
| C36 | C33 | O6 | H53 | 117.9° | 121.4° |
| C36 | C33 | O15 | H53 | 116.0° | 120.3° |
| C36 | C33 | O6 | C39 | 51.3° | 60.2° |
| C36 | C33 | O15 | C35 | 161.9° | 169.5° |
| C33 | C36 | H57 | H56 | 117.8° | 119.3° |
| C37 | C38 | O5 | C39 | 122.3° | 125.7° |
| C37 | C38 | O5 | H58 | 118.4° | 117.0° |
| C37 | C38 | C39 | H58 | 116.0° | 121.3° |
| C37 | C38 | C39 | O6 | 57.8° | 40.2° |
| C37 | C38 | C39 | C41 | 178.3° | 85.5° |
| C38 | C37 | O3 | C44 | 171.7° | 178.8° |
| C37 | C38 | O5 | H5 | 180.0° | 180.0° |
| C38 | C37 | C36 | H57 | 171.2° | 171.3° |
| C38 | C37 | C36 | H56 | 70.3° | 69.6° |
| C37 | C38 | C39 | H59 | 62.3° | 158.2° |
| C38 | C37 | C42 | H65 | 59.5° | 175.6° |
| C38 | C37 | C42 | H67 | 60.5° | 55.6° |
| C38 | C37 | C42 | H66 | 179.5° | 64.5° |
| O5 | C38 | C39 | H58 | 120.2° | 116.3° |
| O5 | C38 | C37 | O3 | 54.9° | 38.1° |
| O5 | C38 | C39 | O6 | 178.4° | 82.2° |
| O5 | C38 | C39 | C41 | 57.9° | 152.1° |
| O5 | C38 | C39 | H59 | 61.5° | 35.8° |
| C39 | C38 | C37 | O3 | 69.8° | 160.6° |
| C38 | C39 | O6 | C33 | 57.9° | 50.8° |
| C38 | C39 | O6 | C41 | 124.8° | 125.9° |
| C38 | C39 | O6 | H59 | 119.2° | 118.1° |
| C38 | C39 | C41 | H59 | 119.4° | 116.7° |
| C39 | C38 | O5 | H5 | 57.6° | 54.3° |
| C38 | C39 | C41 | H64 | 180.0° | 67.1° |
| C38 | C39 | C41 | H63 | 60.0° | 52.9° |
| C38 | C39 | C41 | H62 | 60.0° | 172.9° |
| O3 | C37 | C36 | H57 | 53.1° | 69.8° |
| O3 | C37 | C36 | H56 | 171.6° | 49.3° |
| O3 | C37 | C38 | H58 | 174.2° | 78.0° |
| O3 | C37 | C42 | H65 | 55.5° | 57.4° |
| O3 | C37 | C42 | H67 | 175.5° | 62.5° |
| O3 | C37 | C42 | H66 | 64.5° | 177.4° |
| C37 | O3 | C44 | H68 | 180.0° | 60.0° |
| C37 | O3 | C44 | H70 | 60.0° | 60.0° |
| C37 | O3 | C44 | H69 | 60.0° | 180.0° |
| O6 | C33 | O15 | H53 | 120.1° | 120.8° |
| C33 | O6 | C39 | C41 | 177.3° | 75.1° |
| O6 | C33 | O15 | C35 | 74.2° | 71.6° |
| O6 | C33 | C36 | H57 | 168.8° | 179.3° |
| O6 | C33 | C36 | H56 | 72.6° | 61.9° |
| C33 | O6 | C39 | H59 | 61.3° | 169.0° |
| O15 | C33 | O6 | C39 | 70.7° | 179.2° |
| C33 | O15 | C35 | C18 | 91.3° | 97.6° |
| C33 | O15 | C35 | C50 | 146.2° | 141.7° |
| C33 | O15 | C35 | H55 | 29.2° | 22.6° |
| O15 | C33 | C36 | H57 | 44.9° | 61.7° |
| O15 | C33 | C36 | H56 | 163.4° | 57.2° |
| C25 | C19 | C16 | H29 | 180.0° | 180.0° |
| C19 | C25 | N5 | C22 | 0.1° | 0.3° |
| C25 | C19 | C16 | C13 | 0.1° | 0.0° |
| C25 | C19 | C16 | H24 | 179.9° | 179.9° |
| N5 | C25 | C19 | C16 | 0.2° | 0.3° |
| C25 | N5 | C22 | C13 | 0.3° | 0.0° |
| C25 | N5 | C22 | H37 | 179.7° | 180.0° |
| N5 | C25 | C19 | H29 | 179.7° | 179.7° |
| O6 | C39 | C41 | H59 | 116.9° | 116.2° |
| C39 | O6 | C33 | H53 | 169.2° | 61.2° |
| O6 | C39 | C38 | H58 | 58.2° | 161.5° |
| O6 | C39 | C41 | H64 | 56.3° | 59.9° |
| O6 | C39 | C41 | H63 | 63.8° | 180.0° |
| O6 | C39 | C41 | H62 | 176.3° | 60.1° |
| O10 | C6 | C23 | C8 | 109.6° | 119.8° |
| O10 | C6 | C23 | C5 | 113.9° | 120.7° |
| O10 | C6 | C8 | O11 | 52.3° | 161.9° |
| O10 | C6 | C8 | C5 | 117.5° | 120.0° |
| O10 | C6 | C8 | C9 | 166.8° | 42.7° |
| O10 | C6 | C5 | O9 | 53.1° | 64.7° |
| O10 | C6 | C5 | C3 | 179.1° | 55.6° |
| O10 | C6 | C5 | H3 | 60.6° | 177.5° |
| O10 | C6 | C8 | H6 | 56.9° | 76.9° |
| O10 | C6 | C23 | H38 | 180.0° | 179.3° |
| O10 | C6 | C23 | H40 | 60.0° | 59.3° |
| O10 | C6 | C23 | H39 | 60.0° | 60.7° |
| C12 | C18 | C2 | O11 | 32.7° | 86.8° |
| C12 | C18 | C35 | O15 | 26.6° | 2.7° |
| C12 | C18 | C35 | C2 | 131.8° | 119.8° |
| C12 | C18 | C35 | H28 | 115.2° | 119.6° |
| C12 | C18 | C2 | H28 | 113.6° | 119.0° |
| C12 | C18 | C35 | C50 | 146.0° | 122.4° |
| C12 | C18 | C2 | O2 | 145.2° | 93.3° |
| C18 | C12 | H12 | H14 | 120.0° | 120.0° |
| C18 | C12 | H12 | H13 | 120.0° | 119.9° |
| C18 | C12 | H14 | H13 | 120.0° | 120.0° |
| C12 | C18 | C35 | H55 | 94.8° | 117.0° |
| C41 | C39 | C38 | H58 | 62.2° | 35.8° |
| C39 | C41 | H64 | H63 | 120.0° | 120.0° |
| C39 | C41 | H64 | H62 | 120.0° | 120.0° |
| C39 | C41 | H63 | H62 | 120.0° | 120.0° |
| C19 | C16 | C13 | H24 | 180.0° | 180.0° |
| C19 | C16 | C13 | C22 | 0.3° | 0.2° |
| C19 | C16 | C13 | C10 | 179.7° | 180.0° |
| N5 | C22 | C13 | C16 | 0.5° | 0.3° |
| N5 | C22 | C13 | H37 | 180.0° | 180.0° |
| N5 | C22 | C13 | C10 | 179.5° | 180.0° |
| C23 | C6 | C8 | O11 | 160.3° | 41.8° |
| C23 | C6 | C8 | C5 | 134.6° | 120.0° |
| C23 | C6 | C8 | C9 | 58.9° | 77.3° |
| C23 | C6 | C5 | O9 | 57.6° | 174.5° |
| C23 | C6 | C5 | C3 | 70.2° | 65.2° |
| C23 | C6 | C5 | H3 | 171.3° | 56.7° |
| C23 | C6 | C8 | H6 | 51.0° | 163.0° |
| C23 | C6 | O10 | H23 | 180.0° | 59.1° |
| C6 | C23 | H38 | H40 | 120.0° | 120.1° |
| C6 | C23 | H38 | H39 | 120.0° | 120.0° |
| C6 | C23 | H40 | H39 | 120.0° | 120.0° |
| O3 | C44 | H68 | H70 | 120.0° | 120.0° |
| O3 | C44 | H68 | H69 | 120.0° | 120.0° |
| O3 | C44 | H70 | H69 | 120.0° | 120.0° |
| O11 | C8 | C6 | C9 | 140.8° | 119.2° |
| O11 | C8 | C6 | H6 | 109.3° | 121.2° |
| O11 | C8 | C9 | H6 | 109.8° | 120.8° |
| O11 | C8 | C6 | C5 | 65.1° | 78.1° |
| O11 | C8 | C9 | C11 | 57.5° | 65.9° |
| C8 | O11 | C2 | C18 | 175.4° | 179.7° |
| C8 | O11 | C2 | O2 | 2.5° | 0.4° |
| O11 | C8 | C9 | H7 | 178.0° | 174.1° |
| O11 | C8 | C9 | H8 | 63.0° | 54.2° |
| C2 | O11 | C8 | C6 | 92.0° | 118.6° |
| C2 | O11 | C8 | C9 | 50.0° | 122.4° |
| O11 | C2 | C18 | C35 | 100.9° | 153.2° |
| O11 | C2 | C18 | O2 | 178.0° | 179.9° |
| C2 | O11 | C8 | H6 | 159.3° | 2.3° |
| O11 | C2 | C18 | H28 | 146.3° | 32.3° |
| C6 | C8 | C9 | H6 | 109.8° | 120.1° |
| C6 | C8 | C9 | C11 | 162.1° | 175.0° |
| C8 | C6 | C5 | O9 | 169.0° | 55.2° |
| C8 | C6 | C5 | C3 | 63.2° | 175.4° |
| C8 | C6 | C5 | H3 | 55.3° | 62.7° |
| C6 | C8 | C9 | H7 | 41.6° | 55.0° |
| C6 | C8 | C9 | H8 | 77.4° | 65.0° |
| C8 | C6 | O10 | H23 | 64.6° | 60.3° |
| C8 | C6 | C23 | H38 | 70.5° | 59.6° |
| C8 | C6 | C23 | H40 | 49.5° | 60.5° |
| C8 | C6 | C23 | H39 | 169.6° | 179.5° |
| C9 | C8 | C6 | C5 | 75.7° | 162.7° |
| C8 | C9 | C11 | H7 | 120.5° | 120.0° |
| C8 | C9 | C11 | H8 | 120.5° | 120.0° |
| C8 | C9 | H7 | H8 | 118.4° | 120.0° |
| C8 | C9 | C11 | H10 | 180.0° | 60.0° |
| C8 | C9 | C11 | H9 | 60.0° | 60.0° |
| C8 | C9 | C11 | H11 | 60.0° | 180.0° |
| C6 | C5 | O9 | C3 | 132.6° | 121.6° |
| C6 | C5 | O9 | H3 | 112.6° | 117.7° |
| C6 | C5 | C3 | H3 | 118.5° | 120.5° |
| C6 | C5 | C3 | C21 | 61.5° | 113.3° |
| C6 | C5 | C3 | N1 | 170.7° | 126.9° |
| C5 | C6 | C8 | H6 | 174.4° | 43.0° |
| C6 | C5 | C3 | H1 | 54.3° | 7.5° |
| C6 | C5 | O9 | H19 | 180.0° | 178.4° |
| C5 | C6 | O10 | H23 | 60.6° | 180.0° |
| C5 | C6 | C23 | H38 | 66.1° | 60.0° |
| C5 | C6 | C23 | H40 | 173.9° | 180.0° |
| C5 | C6 | C23 | H39 | 53.9° | 60.0° |
| O15 | C35 | C18 | C50 | 119.4° | 119.7° |
| O15 | C35 | C18 | H55 | 121.5° | 119.7° |
| O15 | C35 | C18 | C2 | 158.5° | 122.5° |
| O15 | C35 | C50 | H55 | 118.2° | 119.1° |
| O15 | C35 | C50 | C52 | 79.2° | 126.8° |
| O15 | C35 | C50 | C14 | 51.1° | 8.6° |
| O15 | C35 | C18 | H28 | 88.6° | 116.9° |
| C35 | O15 | C33 | H53 | 45.9° | 49.2° |
| O15 | C35 | C50 | H78 | 165.9° | 109.3° |
| C11 | C9 | C8 | H6 | 52.3° | 54.9° |
| C11 | C9 | H7 | H8 | 118.5° | 120.0° |
| C9 | C11 | H10 | H9 | 120.0° | 120.0° |
| C9 | C11 | H10 | H11 | 120.0° | 120.0° |
| C9 | C11 | H9 | H11 | 120.0° | 120.1° |
| C16 | C13 | C22 | C10 | 180.0° | 179.7° |
| C16 | C13 | C10 | C49 | 133.2° | 129.8° |
| C16 | C13 | C10 | C7 | 46.7° | 50.3° |
| C16 | C13 | C22 | H37 | 179.5° | 179.8° |
| C13 | C16 | C19 | H29 | 179.9° | 180.0° |
| C35 | C18 | C2 | H28 | 112.8° | 121.0° |
| C18 | C35 | C50 | H55 | 119.1° | 120.9° |
| C35 | C18 | C2 | O2 | 81.1° | 26.7° |
| C18 | C35 | C50 | C52 | 158.2° | 113.2° |
| C18 | C35 | C50 | C14 | 71.5° | 128.6° |
| C35 | C18 | C12 | H12 | 180.0° | 65.3° |
| C35 | C18 | C12 | H14 | 60.0° | 174.7° |
| C35 | C18 | C12 | H13 | 60.0° | 54.7° |
| C18 | C35 | C50 | H78 | 43.2° | 10.6° |
| C2 | C18 | C35 | C50 | 82.2° | 117.8° |
| C2 | C18 | C12 | H12 | 48.9° | 55.1° |
| C2 | C18 | C12 | H14 | 168.9° | 65.0° |
| C2 | C18 | C12 | H13 | 71.1° | 175.0° |
| C2 | C18 | C35 | H55 | 37.0° | 2.8° |
| C22 | C13 | C10 | C49 | 46.8° | 50.0° |
| C22 | C13 | C10 | C7 | 133.3° | 130.0° |
| C22 | C13 | C16 | H24 | 179.7° | 179.8° |
| C35 | C50 | C52 | C14 | 129.7° | 117.9° |
| C35 | C50 | C52 | H78 | 115.0° | 122.6° |
| C35 | C50 | C14 | H78 | 114.7° | 119.2° |
| C35 | C50 | C52 | C53 | 91.9° | 114.5° |
| C35 | C50 | C52 | O12 | 146.5° | 124.5° |
| C35 | C50 | C14 | H18 | 180.0° | 63.9° |
| C35 | C50 | C14 | H17 | 60.0° | 176.2° |
| C35 | C50 | C14 | H16 | 60.0° | 56.2° |
| C50 | C35 | C18 | H28 | 30.8° | 2.8° |
| C35 | C50 | C52 | H81 | 27.8° | 5.6° |
| O2 | C2 | C18 | H28 | 31.6° | 147.7° |
| O9 | C5 | C3 | H3 | 115.9° | 119.4° |
| O9 | C5 | C3 | C21 | 64.1° | 6.9° |
| O9 | C5 | C3 | N1 | 63.8° | 113.0° |
| O9 | C5 | C3 | H1 | 179.9° | 127.7° |
| C13 | C10 | C49 | C7 | 179.9° | 180.0° |
| C13 | C10 | C49 | C46 | 180.0° | 179.7° |
| C13 | C10 | C7 | F1 | 1.1° | 0.0° |
| C13 | C10 | C7 | C4 | 179.6° | 180.0° |
| C10 | C13 | C22 | H37 | 0.5° | 0.0° |
| C10 | C13 | C16 | H24 | 0.3° | 0.0° |
| C13 | C10 | C49 | H77 | 0.0° | 0.1° |
| C5 | C3 | C21 | N1 | 131.5° | 121.8° |
| C5 | C3 | C21 | H1 | 115.5° | 122.2° |
| C5 | C3 | N1 | H1 | 115.8° | 121.7° |
| C5 | C3 | N1 | C20 | 64.8° | 161.5° |
| C5 | C3 | N1 | C56 | 73.4° | 51.9° |
| C5 | C3 | C21 | H34 | 180.0° | 68.9° |
| C5 | C3 | C21 | H36 | 60.0° | 171.1° |
| C5 | C3 | C21 | H35 | 60.0° | 51.1° |
| C3 | C5 | O9 | H19 | 47.4° | 60.0° |
| O8 | C53 | C52 | C50 | 56.0° | 72.3° |
| O8 | C53 | C52 | C15 | 111.9° | 118.9° |
| O8 | C53 | C52 | C54 | 122.1° | 118.3° |
| O8 | C53 | C52 | O12 | 179.3° | 49.2° |
| O8 | C53 | C15 | C54 | 119.0° | 122.6° |
| O8 | C53 | C54 | C55 | 33.8° | 87.0° |
| O8 | C53 | C15 | H22 | 180.0° | 38.3° |
| O8 | C53 | C15 | H21 | 60.0° | 158.3° |
| O8 | C53 | C15 | H20 | 60.0° | 81.7° |
| O8 | C53 | C52 | H81 | 63.7° | 166.8° |
| O8 | C53 | C54 | H82 | 154.9° | 149.6° |
| O8 | C53 | C54 | H83 | 87.4° | 35.8° |
| C52 | C50 | C14 | H78 | 115.2° | 122.1° |
| C50 | C52 | C53 | O12 | 123.3° | 121.5° |
| C50 | C52 | C53 | H81 | 119.7° | 120.9° |
| C50 | C52 | O12 | H81 | 117.5° | 119.5° |
| C50 | C52 | C53 | C15 | 168.0° | 46.6° |
| C50 | C52 | C53 | C54 | 66.0° | 169.4° |
| C50 | C52 | O12 | C24 | 107.2° | 107.7° |
| C52 | C50 | C14 | H18 | 49.9° | 177.4° |
| C52 | C50 | C14 | H17 | 70.1° | 57.4° |
| C52 | C50 | C14 | H16 | 169.9° | 62.6° |
| C52 | C50 | C35 | H55 | 39.1° | 7.7° |
| C14 | C50 | C52 | C53 | 138.4° | 127.5° |
| C14 | C50 | C52 | O12 | 16.8° | 6.6° |
| C50 | C14 | H18 | H17 | 120.0° | 119.9° |
| C50 | C14 | H18 | H16 | 120.0° | 120.0° |
| C50 | C14 | H17 | H16 | 120.0° | 120.0° |
| C14 | C50 | C35 | H55 | 169.3° | 110.5° |
| C14 | C50 | C52 | H81 | 101.9° | 112.4° |
| C32 | C30 | O14 | C29 | 122.4° | 120.0° |
| C32 | C30 | O14 | H46 | 118.2° | 120.0° |
| C32 | C30 | C29 | H46 | 119.3° | 120.1° |
| C32 | C30 | O14 | C24 | 176.3° | 178.9° |
| C32 | C30 | C29 | C27 | 171.3° | 177.6° |
| C32 | C30 | C29 | H45 | 50.9° | 62.6° |
| C32 | C30 | C29 | H44 | 68.3° | 57.7° |
| C30 | C32 | H51 | H50 | 120.0° | 120.0° |
| C30 | C32 | H51 | H52 | 120.0° | 120.0° |
| C30 | C32 | H50 | H52 | 120.0° | 119.9° |
| C10 | C49 | C46 | H77 | 180.0° | 179.6° |
| C49 | C10 | C7 | F1 | 178.9° | 180.0° |
| C49 | C10 | C7 | C4 | 0.4° | 0.0° |
| C10 | C49 | C46 | C43 | 0.1° | 0.6° |
| C10 | C49 | C46 | H73 | 179.9° | 180.0° |
| C7 | C10 | C49 | C46 | 0.1° | 0.3° |
| C10 | C7 | F1 | C4 | 179.3° | 180.0° |
| C10 | C7 | C4 | C43 | 1.1° | 0.0° |
| C10 | C7 | C4 | H2 | 178.9° | 179.7° |
| C7 | C10 | C49 | H77 | 179.9° | 180.0° |
| C49 | C46 | C43 | H73 | 180.0° | 179.4° |
| C49 | C46 | C43 | C4 | 0.8° | 0.7° |
| C49 | C46 | C43 | N2 | 179.3° | 179.4° |
| O14 | C30 | C29 | H46 | 120.4° | 120.0° |
| C30 | O14 | C24 | O12 | 178.9° | 178.8° |
| C30 | O14 | C24 | C26 | 64.0° | 61.1° |
| O14 | C30 | C29 | C27 | 50.9° | 57.6° |
| C30 | O14 | C24 | H41 | 56.8° | 58.8° |
| O14 | C30 | C29 | H45 | 69.5° | 177.5° |
| O14 | C30 | C29 | H44 | 171.3° | 62.3° |
| O14 | C30 | C32 | H51 | 180.0° | 60.1° |
| O14 | C30 | C32 | H50 | 60.0° | 179.9° |
| O14 | C30 | C32 | H52 | 60.0° | 60.0° |
| C29 | C30 | O14 | C24 | 61.3° | 61.2° |
| C30 | C29 | C27 | H45 | 120.4° | 119.9° |
| C30 | C29 | C27 | H44 | 120.4° | 120.0° |
| C30 | C29 | C27 | C26 | 46.5° | 56.9° |
| C30 | C29 | C27 | N3 | 179.6° | 176.8° |
| C30 | C29 | C27 | H43 | 66.4° | 62.9° |
| C30 | C29 | H45 | H44 | 118.8° | 120.3° |
| C29 | C30 | C32 | H51 | 58.3° | 180.0° |
| C29 | C30 | C32 | H50 | 61.7° | 60.0° |
| C29 | C30 | C32 | H52 | 178.3° | 59.9° |
| C21 | C3 | N1 | H1 | 112.6° | 117.1° |
| C21 | C3 | N1 | C20 | 66.8° | 40.4° |
| C21 | C3 | N1 | C56 | 155.0° | 69.2° |
| C21 | C3 | C5 | H3 | 180.0° | 126.3° |
| C3 | C21 | H34 | H36 | 120.0° | 120.0° |
| C3 | C21 | H34 | H35 | 120.0° | 120.1° |
| C3 | C21 | H36 | H35 | 120.0° | 120.1° |
| C3 | N1 | C20 | C56 | 135.8° | 111.8° |
| C3 | N1 | C56 | C55 | 152.8° | 161.3° |
| N1 | C3 | C5 | H3 | 52.1° | 6.4° |
| C3 | N1 | C20 | H32 | 180.0° | 176.4° |
| C3 | N1 | C20 | H31 | 60.0° | 56.5° |
| C3 | N1 | C20 | H30 | 60.0° | 63.5° |
| N1 | C3 | C21 | H34 | 48.5° | 52.9° |
| N1 | C3 | C21 | H36 | 168.5° | 67.1° |
| N1 | C3 | C21 | H35 | 71.5° | 172.9° |
| C3 | N1 | C56 | H85 | 31.5° | 80.1° |
| C3 | N1 | C56 | H86 | 85.9° | 38.0° |
| C53 | C52 | O12 | H81 | 115.9° | 117.4° |
| C52 | C53 | C15 | C54 | 126.7° | 119.3° |
| C53 | C52 | O12 | C24 | 126.2° | 129.2° |
| C52 | C53 | C54 | C55 | 153.1° | 155.7° |
| C52 | C53 | C15 | H22 | 65.7° | 79.8° |
| C52 | C53 | C15 | H21 | 174.4° | 40.2° |
| C52 | C53 | C15 | H20 | 54.4° | 160.1° |
| C52 | C53 | O8 | H15 | 180.0° | 180.0° |
| C53 | C52 | C50 | H78 | 23.1° | 8.0° |
| C52 | C53 | C54 | H82 | 85.7° | 32.3° |
| C52 | C53 | C54 | H83 | 31.9° | 81.5° |
| C52 | O12 | C24 | O14 | 74.4° | 71.0° |
| O12 | C52 | C53 | C15 | 68.8° | 168.1° |
| O12 | C52 | C53 | C54 | 57.2° | 69.1° |
| C52 | O12 | C24 | C26 | 167.2° | 169.1° |
| C52 | O12 | C24 | H41 | 47.6° | 49.0° |
| O12 | C52 | C50 | H78 | 98.5° | 112.9° |
| O14 | C24 | O12 | C26 | 118.4° | 120.0° |
| O14 | C24 | O12 | H41 | 122.0° | 120.0° |
| O14 | C24 | C26 | H41 | 122.0° | 120.0° |
| O14 | C24 | C26 | C27 | 55.5° | 57.6° |
| O14 | C24 | C26 | O13 | 177.4° | 177.5° |
| O14 | C24 | C26 | H42 | 62.0° | 62.4° |
| C24 | O14 | C30 | H46 | 58.2° | 58.8° |
| C15 | C53 | C54 | C55 | 79.7° | 35.4° |
| C53 | C15 | H22 | H21 | 120.0° | 119.9° |
| C53 | C15 | H22 | H20 | 120.0° | 120.0° |
| C53 | C15 | H21 | H20 | 120.0° | 119.9° |
| C15 | C53 | O8 | H15 | 61.1° | 61.3° |
| C15 | C53 | C52 | H81 | 48.2° | 74.3° |
| C15 | C53 | C54 | H82 | 41.4° | 88.0° |
| C15 | C53 | C54 | H83 | 159.1° | 158.2° |
| C53 | C54 | C55 | C56 | 77.6° | 89.3° |
| C53 | C54 | C55 | H82 | 121.2° | 123.3° |
| C53 | C54 | C55 | H83 | 121.2° | 122.7° |
| C53 | C54 | C55 | C17 | 158.2° | 41.1° |
| C54 | C53 | C15 | H22 | 61.0° | 160.9° |
| C54 | C53 | C15 | H21 | 58.9° | 79.1° |
| C54 | C53 | C15 | H20 | 178.9° | 40.8° |
| C54 | C53 | O8 | H15 | 57.4° | 63.3° |
| C54 | C53 | C52 | H81 | 174.2° | 48.5° |
| C53 | C54 | H82 | H83 | 116.3° | 115.4° |
| C53 | C54 | C55 | H84 | 39.9° | 156.6° |
| O12 | C24 | C26 | H41 | 120.9° | 120.0° |
| O12 | C24 | C26 | C27 | 172.6° | 177.6° |
| O12 | C24 | C26 | O13 | 65.4° | 62.5° |
| O12 | C24 | C26 | H42 | 55.1° | 57.6° |
| C24 | O12 | C52 | H81 | 10.3° | 11.8° |
| C24 | C26 | C27 | C29 | 48.4° | 56.9° |
| C24 | C26 | C27 | O13 | 123.1° | 120.0° |
| C24 | C26 | C27 | H42 | 117.7° | 120.0° |
| C24 | C26 | C27 | N3 | 177.8° | 176.8° |
| C24 | C26 | O13 | H42 | 119.7° | 120.1° |
| C24 | C26 | O13 | H33 | 180.0° | 60.0° |
| C24 | C26 | C27 | H43 | 64.7° | 62.9° |
| F1 | C7 | C4 | C43 | 178.2° | 180.0° |
| F1 | C7 | C4 | H2 | 1.8° | 0.3° |
| C7 | C4 | C43 | C46 | 1.3° | 0.3° |
| C7 | C4 | C43 | H2 | 180.0° | 179.7° |
| C7 | C4 | C43 | N2 | 179.8° | 179.7° |
| S1 | C57 | C45 | H87 | 120.9° | 120.0° |
| S1 | C57 | C45 | H88 | 120.9° | 120.0° |
| C57 | S1 | C58 | C48 | 145.2° | 180.0° |
| S1 | C57 | C45 | N3 | 97.0° | 180.0° |
| S1 | C57 | C45 | H72 | 23.4° | 60.0° |
| S1 | C57 | C45 | H71 | 142.7° | 60.0° |
| S1 | C57 | H87 | H88 | 117.3° | 119.9° |
| C57 | S1 | C58 | H89 | 24.5° | 60.0° |
| C57 | S1 | C58 | H90 | 94.0° | 60.0° |
| C45 | C57 | S1 | C58 | 75.5° | 180.0° |
| C57 | C45 | N3 | C27 | 72.5° | 170.0° |
| C57 | C45 | N3 | H72 | 120.3° | 120.0° |
| C57 | C45 | N3 | H71 | 120.3° | 120.1° |
| C57 | C45 | N3 | C47 | 153.4° | 66.0° |
| C57 | C45 | H72 | H71 | 118.9° | 120.0° |
| C45 | C57 | H87 | H88 | 117.3° | 120.0° |
| C29 | C27 | C26 | N3 | 129.4° | 119.9° |
| C29 | C27 | C26 | H43 | 113.1° | 119.9° |
| C29 | C27 | N3 | H43 | 112.9° | 120.2° |
| C29 | C27 | C26 | O13 | 171.5° | 176.9° |
| C29 | C27 | N3 | C45 | 132.8° | 54.0° |
| C29 | C27 | N3 | C47 | 94.3° | 70.0° |
| C29 | C27 | C26 | H42 | 69.3° | 63.0° |
| C27 | C29 | H45 | H44 | 118.8° | 120.1° |
| C27 | C29 | C30 | H46 | 69.4° | 62.4° |
| C46 | C43 | C4 | N2 | 178.5° | 179.9° |
| C46 | C43 | N2 | C1 | 28.8° | 6.1° |
| C46 | C43 | N2 | C40 | 163.8° | 174.0° |
| C46 | C43 | C4 | H2 | 178.7° | 180.0° |
| C43 | C46 | C49 | H77 | 179.8° | 179.7° |
| C20 | N1 | C56 | C55 | 15.8° | 90.3° |
| N1 | C20 | H32 | H31 | 120.0° | 119.9° |
| N1 | C20 | H32 | H30 | 120.0° | 120.1° |
| N1 | C20 | H31 | H30 | 120.0° | 120.0° |
| C20 | N1 | C3 | H1 | 179.4° | 76.8° |
| C20 | N1 | C56 | H85 | 105.5° | 28.3° |
| C20 | N1 | C56 | H86 | 137.1° | 146.4° |
| N1 | C56 | C55 | H85 | 121.3° | 118.0° |
| N1 | C56 | C55 | H86 | 121.3° | 123.0° |
| N1 | C56 | C55 | C54 | 152.7° | 137.0° |
| N1 | C56 | C55 | C17 | 83.1° | 6.3° |
| C56 | N1 | C20 | H32 | 44.2° | 71.8° |
| C56 | N1 | C20 | H31 | 164.2° | 168.3° |
| C56 | N1 | C20 | H30 | 75.8° | 48.3° |
| C56 | N1 | C3 | H1 | 42.3° | 173.6° |
| N1 | C56 | C55 | H84 | 35.2° | 108.6° |
| N1 | C56 | H85 | H86 | 115.9° | 119.3° |
| S1 | C58 | C48 | H89 | 120.7° | 120.0° |
| S1 | C58 | C48 | H90 | 120.8° | 120.0° |
| S1 | C58 | C48 | O7 | 135.0° | 0.0° |
| S1 | C58 | C48 | N4 | 47.6° | 180.0° |
| C58 | S1 | C57 | H87 | 163.7° | 60.0° |
| C58 | S1 | C57 | H88 | 45.4° | 60.0° |
| S1 | C58 | H89 | H90 | 117.6° | 120.0° |
| C26 | C27 | N3 | H43 | 117.0° | 120.2° |
| C27 | C26 | O13 | H42 | 118.1° | 120.1° |
| C26 | C27 | N3 | C45 | 97.1° | 65.6° |
| C26 | C27 | N3 | C47 | 35.8° | 170.4° |
| C27 | C26 | C24 | H41 | 66.5° | 62.4° |
| C27 | C26 | O13 | H33 | 57.8° | 179.7° |
| C26 | C27 | C29 | H45 | 73.9° | 176.8° |
| C26 | C27 | C29 | H44 | 166.9° | 63.0° |
| N3 | C27 | C26 | O13 | 59.1° | 63.2° |
| C27 | N3 | C45 | C47 | 134.1° | 124.0° |
| N3 | C27 | C26 | H42 | 60.2° | 56.9° |
| N3 | C27 | C29 | H45 | 60.0° | 63.3° |
| N3 | C27 | C29 | H44 | 59.2° | 56.9° |
| C27 | N3 | C45 | H72 | 167.2° | 49.9° |
| C27 | N3 | C45 | H71 | 47.8° | 70.0° |
| C27 | N3 | C47 | H74 | 180.0° | 63.0° |
| C27 | N3 | C47 | H76 | 60.0° | 176.9° |
| C27 | N3 | C47 | H75 | 60.0° | 56.9° |
| C56 | C55 | C54 | C17 | 124.2° | 130.4° |
| C56 | C55 | C54 | H84 | 117.5° | 114.1° |
| C56 | C55 | C17 | H84 | 118.1° | 114.9° |
| C56 | C55 | C17 | H25 | 180.0° | 63.5° |
| C56 | C55 | C17 | H27 | 60.0° | 56.5° |
| C56 | C55 | C17 | H26 | 60.0° | 176.5° |
| C56 | C55 | C54 | H82 | 161.3° | 34.0° |
| C56 | C55 | C54 | H83 | 43.6° | 148.0° |
| C55 | C56 | H85 | H86 | 115.9° | 120.5° |
| O13 | C26 | C24 | H41 | 55.4° | 57.5° |
| O13 | C26 | C27 | H43 | 58.4° | 57.0° |
| C58 | C48 | O7 | N4 | 177.3° | 180.0° |
| C58 | C48 | N4 | C51 | 173.9° | 180.0° |
| C58 | C48 | N4 | H4 | 6.1° | 0.0° |
| C48 | C58 | H89 | H90 | 117.6° | 120.0° |
| C54 | C55 | C17 | H84 | 118.2° | 115.7° |
| C54 | C55 | C17 | H25 | 56.4° | 65.8° |
| C54 | C55 | C17 | H27 | 63.6° | 174.2° |
| C54 | C55 | C17 | H26 | 176.4° | 54.2° |
| C55 | C54 | H82 | H83 | 116.3° | 115.8° |
| C54 | C55 | C56 | H85 | 31.5° | 105.0° |
| C54 | C55 | C56 | H86 | 86.0° | 14.0° |
| C4 | C43 | N2 | C1 | 152.7° | 174.0° |
| C4 | C43 | N2 | C40 | 14.7° | 5.9° |
| C4 | C43 | C46 | H73 | 179.2° | 180.0° |
| C45 | N3 | C27 | H43 | 19.9° | 174.2° |
| N3 | C45 | H72 | H71 | 119.0° | 119.9° |
| C45 | N3 | C47 | H74 | 46.1° | 172.9° |
| C45 | N3 | C47 | H76 | 73.9° | 52.9° |
| C45 | N3 | C47 | H75 | 166.2° | 67.1° |
| N3 | C45 | C57 | H87 | 142.2° | 60.0° |
| N3 | C45 | C57 | H88 | 23.9° | 60.0° |
| C43 | N2 | C1 | C40 | 169.1° | 179.9° |
| C43 | N2 | C1 | O1 | 5.1° | 0.3° |
| C43 | N2 | C1 | O4 | 175.4° | 179.9° |
| C43 | N2 | C40 | C34 | 176.2° | 179.7° |
| N2 | C43 | C4 | H2 | 0.2° | 0.1° |
| C43 | N2 | C40 | H60 | 56.9° | 61.3° |
| C43 | N2 | C40 | H61 | 64.6° | 61.4° |
| N2 | C43 | C46 | H73 | 0.7° | 0.0° |
| C55 | C17 | H25 | H27 | 120.0° | 120.0° |
| C55 | C17 | H25 | H26 | 120.0° | 120.0° |
| C55 | C17 | H27 | H26 | 120.0° | 120.0° |
| C17 | C55 | C54 | H82 | 37.0° | 164.4° |
| C17 | C55 | C54 | H83 | 80.6° | 81.6° |
| C17 | C55 | C56 | H85 | 155.7° | 124.3° |
| C17 | C55 | C56 | H86 | 38.3° | 116.7° |
| C47 | N3 | C27 | H43 | 152.8° | 50.2° |
| C47 | N3 | C45 | H72 | 33.1° | 174.0° |
| C47 | N3 | C45 | H71 | 86.3° | 54.1° |
| N3 | C47 | H74 | H76 | 120.0° | 120.0° |
| N3 | C47 | H74 | H75 | 120.0° | 119.9° |
| N3 | C47 | H76 | H75 | 120.0° | 120.0° |
| O7 | C48 | N4 | C51 | 3.5° | 0.0° |
| O7 | C48 | N4 | H4 | 176.5° | 180.0° |
| O7 | C48 | C58 | H89 | 104.3° | 120.0° |
| O7 | C48 | C58 | H90 | 14.2° | 120.0° |
| C48 | N4 | C51 | H4 | 180.0° | 180.0° |
| C48 | N4 | C51 | C34 | 92.1° | 180.0° |
| C48 | N4 | C51 | H79 | 146.8° | 60.0° |
| C48 | N4 | C51 | H80 | 28.9° | 60.0° |
| N4 | C48 | C58 | H89 | 73.2° | 60.0° |
| N4 | C48 | C58 | H90 | 168.4° | 60.0° |
| N2 | C1 | O1 | O4 | 179.4° | 179.7° |
| C1 | N2 | C40 | C34 | 14.5° | 0.2° |
| N2 | C1 | O4 | C34 | 5.6° | 0.2° |
| C1 | N2 | C40 | H60 | 133.8° | 118.6° |
| C1 | N2 | C40 | H61 | 104.7° | 118.6° |
| C40 | N2 | C1 | O1 | 174.3° | 179.7° |
| C40 | N2 | C1 | O4 | 6.3° | 0.0° |
| N2 | C40 | C34 | H60 | 119.3° | 118.5° |
| N2 | C40 | C34 | H61 | 119.3° | 118.7° |
| N2 | C40 | C34 | O4 | 16.7° | 0.3° |
| N2 | C40 | C34 | C51 | 103.4° | 118.5° |
| N2 | C40 | C34 | H54 | 133.6° | 118.8° |
| N2 | C40 | H60 | H61 | 122.2° | 122.7° |
| O1 | C1 | O4 | C34 | 174.0° | 180.0° |
| C1 | O4 | C34 | C40 | 14.2° | 0.3° |
| C1 | O4 | C34 | C51 | 110.3° | 118.8° |
| C1 | O4 | C34 | H54 | 130.1° | 118.6° |
| N4 | C51 | C34 | C40 | 62.8° | 176.3° |
| N4 | C51 | C34 | O4 | 53.1° | 61.5° |
| N4 | C51 | C34 | H79 | 121.0° | 120.0° |
| N4 | C51 | C34 | H80 | 121.0° | 120.0° |
| N4 | C51 | C34 | H54 | 173.9° | 61.2° |
| N4 | C51 | H79 | H80 | 116.8° | 119.9° |
| C40 | C34 | O4 | C51 | 124.5° | 119.1° |
| C40 | C34 | O4 | H54 | 115.8° | 118.3° |
| C40 | C34 | C51 | H54 | 123.3° | 122.5° |
| C34 | C40 | H60 | H61 | 122.2° | 123.0° |
| C40 | C34 | C51 | H79 | 176.2° | 63.8° |
| C40 | C34 | C51 | H80 | 58.2° | 56.3° |
| O4 | C34 | C51 | H54 | 120.8° | 122.7° |
| O4 | C34 | C40 | H60 | 136.0° | 118.8° |
| O4 | C34 | C40 | H61 | 102.5° | 118.3° |
| O4 | C34 | C51 | H79 | 67.9° | 178.6° |
| O4 | C34 | C51 | H80 | 174.1° | 58.5° |
| C34 | C51 | N4 | H4 | 87.8° | 0.0° |
| C51 | C34 | C40 | H60 | 15.9° | 0.0° |
| C51 | C34 | C40 | H61 | 137.4° | 122.8° |
| C34 | C51 | H79 | H80 | 116.9° | 120.1° |
| H3 | C5 | C3 | H1 | 64.2° | 113.0° |
| H3 | C5 | O9 | H19 | 67.4° | 60.8° |
| H6 | C8 | C9 | H7 | 68.2° | 65.1° |
| H6 | C8 | C9 | H8 | 172.8° | 175.0° |
| H22 | C15 | H21 | H20 | 120.0° | 120.1° |
| H25 | C17 | H27 | H26 | 120.0° | 120.0° |
| H25 | C17 | C55 | H84 | 61.9° | 178.5° |
| H27 | C17 | C55 | H84 | 178.1° | 58.4° |
| H26 | C17 | C55 | H84 | 58.1° | 61.5° |
| H32 | C20 | H31 | H30 | 120.0° | 120.0° |
| H34 | C21 | H36 | H35 | 120.0° | 119.9° |
| H34 | C21 | C3 | H1 | 64.5° | 169.0° |
| H36 | C21 | C3 | H1 | 55.6° | 49.0° |
| H35 | C21 | C3 | H1 | 175.5° | 71.0° |
| H41 | C24 | C26 | H42 | 176.0° | 177.6° |
| H42 | C26 | O13 | H33 | 60.3° | 60.1° |
| H42 | C26 | C27 | H43 | 177.6° | 177.1° |
| H4 | N4 | C51 | H79 | 33.2° | 120.0° |
| H4 | N4 | C51 | H80 | 151.1° | 120.0° |
| H5 | O5 | C38 | H58 | 61.6° | 63.0° |
| H7 | C9 | C11 | H10 | 59.5° | 180.0° |
| H7 | C9 | C11 | H9 | 179.5° | 60.0° |
| H7 | C9 | C11 | H11 | 60.5° | 60.0° |
| H8 | C9 | C11 | H10 | 59.5° | 60.0° |
| H8 | C9 | C11 | H9 | 60.5° | 180.0° |
| H8 | C9 | C11 | H11 | 179.5° | 60.0° |
| H10 | C11 | H9 | H11 | 120.0° | 120.0° |
| H12 | C12 | H14 | H13 | 120.0° | 120.1° |
| H12 | C12 | C18 | H28 | 64.8° | 174.4° |
| H14 | C12 | C18 | H28 | 55.2° | 54.4° |
| H13 | C12 | C18 | H28 | 175.2° | 65.6° |
| H18 | C14 | H17 | H16 | 120.0° | 120.1° |
| H18 | C14 | C50 | H78 | 65.3° | 55.3° |
| H17 | C14 | C50 | H78 | 174.7° | 64.7° |
| H16 | C14 | C50 | H78 | 54.7° | 175.4° |
| H24 | C16 | C19 | H29 | 0.1° | 0.0° |
| H28 | C18 | C35 | H55 | 149.9° | 123.4° |
| H38 | C23 | H40 | H39 | 120.0° | 120.0° |
| H43 | C27 | C29 | H45 | 173.2° | 57.0° |
| H43 | C27 | C29 | H44 | 54.0° | 177.1° |
| H45 | C29 | C30 | H46 | 170.2° | 57.5° |
| H44 | C29 | C30 | H46 | 50.9° | 177.8° |
| H46 | C30 | C32 | H51 | 60.9° | 60.0° |
| H46 | C30 | C32 | H50 | 179.1° | 60.0° |
| H46 | C30 | C32 | H52 | 59.1° | 180.0° |
| H47 | C31 | H49 | H48 | 120.0° | 120.0° |
| H51 | C32 | H50 | H52 | 120.0° | 120.1° |
| H53 | C33 | C36 | H57 | 72.3° | 57.6° |
| H53 | C33 | C36 | H56 | 46.3° | 176.5° |
| H54 | C34 | C40 | H60 | 107.1° | 122.7° |
| H54 | C34 | C40 | H61 | 14.3° | 0.2° |
| H54 | C34 | C51 | H79 | 52.9° | 58.8° |
| H54 | C34 | C51 | H80 | 65.1° | 178.8° |
| H55 | C35 | C50 | H78 | 75.9° | 131.6° |
| H58 | C38 | C39 | H59 | 178.3° | 80.5° |
| H59 | C39 | C41 | H64 | 60.6° | 176.1° |
| H59 | C39 | C41 | H63 | 179.4° | 63.8° |
| H59 | C39 | C41 | H62 | 59.4° | 56.1° |
| H64 | C41 | H63 | H62 | 120.0° | 120.0° |
| H65 | C42 | H67 | H66 | 119.9° | 120.0° |
| H68 | C44 | H70 | H69 | 120.0° | 120.0° |
| H72 | C45 | C57 | H87 | 97.5° | 60.0° |
| H72 | C45 | C57 | H88 | 144.2° | 180.0° |
| H71 | C45 | C57 | H87 | 21.8° | NaN° |
| H71 | C45 | C57 | H88 | 96.4° | 60.0° |
| H73 | C46 | C49 | H77 | 0.1° | 0.3° |
| H74 | C47 | H76 | H75 | 120.0° | 120.0° |
| H78 | C50 | C52 | H81 | 142.8° | 128.1° |
| H82 | C54 | C55 | H84 | 81.3° | 80.1° |
| H83 | C54 | C55 | H84 | 161.1° | 33.9° |
| H84 | C55 | C56 | H85 | 86.1° | 9.3° |
| H84 | C55 | C56 | H86 | 156.5° | 128.4° |
