UI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | 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 | C19 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C19 | sing | 1.34Å | 1.33Å | Aromatic |
| C19 | C17 | sing | 1.48Å | 1.50Å | |
| C45 | C41 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C42 | C41 | sing | 1.52Å | 1.56Å | |
| C42 | O5 | sing | 1.44Å | 1.42Å | |
| C42 | C43 | sing | 1.52Å | 1.56Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| C41 | O4 | sing | 1.44Å | 1.44Å | |
| C17 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| O2 | C2 | doub | 1.28Å | 1.23Å | |
| C13 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | O6 | sing | 1.42Å | 1.43Å | |
| C16 | C24 | sing | 1.52Å | 1.55Å | |
| C38 | O6 | sing | 1.42Å | 1.40Å | |
| C38 | O15 | sing | 1.43Å | 1.39Å | |
| N4 | C15 | doub | 1.32Å | 1.36Å | Aromatic |
| C12 | C10 | sing | 1.47Å | 1.55Å | |
| C2 | C24 | sing | 1.50Å | 1.53Å | |
| C2 | O11 | sing | 1.32Å | 1.34Å | |
| O4 | C46 | sing | 1.43Å | 1.43Å | |
| C11 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| O15 | C39 | sing | 1.43Å | 1.43Å | |
| C10 | O11 | sing | 1.43Å | 1.43Å | |
| C10 | C8 | sing | 1.55Å | 1.58Å | |
| C24 | C39 | sing | 1.55Å | 1.56Å | |
| C15 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | C50 | sing | 1.61Å | 1.56Å | |
| C9 | C7 | sing | 1.48Å | 1.49Å | |
| O9 | C6 | sing | 1.38Å | 1.43Å | |
| O10 | C8 | sing | 1.47Å | 1.43Å | |
| C8 | C6 | sing | 1.56Å | 1.58Å | |
| C8 | C27 | sing | 1.47Å | 1.55Å | |
| C6 | C4 | sing | 1.52Å | 1.57Å | |
| C7 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C18 | sing | 1.47Å | 1.55Å | |
| C50 | C52 | sing | 1.52Å | 1.57Å | |
| O8 | C53 | sing | 1.42Å | 1.41Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.47Å | 1.57Å | |
| C52 | O12 | sing | 1.48Å | 1.43Å | |
| C36 | O14 | sing | 1.43Å | 1.42Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| F1 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | N1 | sing | 1.55Å | 1.47Å | |
| O14 | C29 | sing | 1.43Å | 1.40Å | |
| C53 | C20 | sing | 1.55Å | 1.54Å | |
| C53 | C54 | sing | 1.48Å | 1.56Å | |
| C32 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.49Å | 1.48Å | |
| C4 | C26 | sing | 1.52Å | 1.55Å | |
| C29 | O12 | sing | 1.43Å | 1.40Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| N1 | C56 | sing | 1.50Å | 1.47Å | |
| C35 | C33 | sing | 1.53Å | 1.54Å | |
| C3 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | N2 | sing | 1.40Å | 1.41Å | |
| C33 | C31 | sing | 1.53Å | 1.56Å | |
| C33 | N3 | sing | 1.47Å | 1.48Å | |
| C31 | O13 | sing | 1.43Å | 1.42Å | |
| C54 | C55 | sing | 1.61Å | 1.57Å | |
| N5 | C51 | sing | 1.46Å | 1.47Å | |
| N5 | C49 | sing | 1.35Å | 1.34Å | |
| C51 | C23 | sing | 1.53Å | 1.56Å | |
| C48 | C49 | sing | 1.51Å | 1.55Å | |
| C48 | N3 | sing | 1.47Å | 1.47Å | |
| C56 | C55 | sing | 1.49Å | 1.55Å | |
| C49 | O7 | doub | 1.21Å | 1.23Å | |
| N2 | C28 | sing | 1.47Å | 1.46Å | |
| N2 | C1 | sing | 1.34Å | 1.40Å | |
| N3 | C47 | sing | 1.47Å | 1.47Å | |
| C55 | C22 | sing | 1.51Å | 1.54Å | |
| C28 | C23 | sing | 1.54Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O3 | sing | 1.34Å | 1.35Å | |
| C23 | O3 | sing | 1.46Å | 1.42Å | |
| C4 | H2 | sing | 1.14Å | 1.10Å | |
| C6 | H4 | sing | 1.07Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.10Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| N5 | H81 | sing | 0.97Å | 1.00Å | |
| O5 | H82 | sing | 0.97Å | 0.95Å | |
| O8 | H83 | sing | 0.97Å | 0.95Å | |
| O9 | H84 | sing | 0.97Å | 0.95Å | |
| O10 | H85 | sing | 0.97Å | 0.95Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| O13 | H86 | sing | 0.97Å | 0.95Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.04Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | H56 | sing | 1.10Å | 1.10Å | |
| C43 | H57 | sing | 1.11Å | 1.10Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C45 | H63 | sing | 1.09Å | 1.10Å | |
| C46 | H64 | sing | 1.09Å | 1.10Å | |
| C46 | H66 | sing | 1.09Å | 1.10Å | |
| C46 | H65 | sing | 1.09Å | 1.10Å | |
| C47 | H68 | sing | 1.09Å | 1.10Å | |
| C47 | H67 | sing | 1.09Å | 1.10Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C48 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | H71 | sing | 1.09Å | 1.10Å | |
| C50 | H72 | sing | 1.09Å | 1.10Å | |
| C51 | H74 | sing | 1.09Å | 1.10Å | |
| C51 | H73 | sing | 1.09Å | 1.10Å | |
| C52 | H75 | sing | 1.18Å | 1.10Å | |
| C54 | H76 | sing | 1.16Å | 1.10Å | |
| C54 | H77 | sing | 1.13Å | 1.10Å | |
| C55 | H78 | sing | 1.15Å | 1.10Å | |
| C56 | H80 | sing | 1.15Å | 1.10Å | |
| C56 | H79 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N7 | N8 | 122.4° | 125.4° |
| C21 | N7 | N6 | 122.2° | 125.3° |
| N7 | C21 | H9 | 109.5° | 109.5° |
| N7 | C21 | H11 | 109.4° | 109.5° |
| N7 | C21 | H13 | 109.4° | 109.4° |
| N8 | N7 | N6 | 114.8° | 109.3° |
| N7 | N8 | N9 | 103.5° | 109.0° |
| N7 | N6 | C19 | 101.7° | 107.8° |
| N8 | N9 | C19 | 106.1° | 107.3° |
| N6 | C19 | N9 | 113.9° | 106.6° |
| N6 | C19 | C17 | 122.5° | 126.7° |
| N9 | C19 | C17 | 123.6° | 126.7° |
| C19 | C17 | C13 | 121.8° | 119.6° |
| C19 | C17 | N4 | 116.7° | 119.6° |
| C45 | C41 | C42 | 111.7° | 111.0° |
| C45 | C41 | C40 | 110.1° | 110.2° |
| C45 | C41 | O4 | 105.4° | 107.6° |
| C41 | C45 | H62 | 109.5° | 109.5° |
| C41 | C45 | H61 | 109.5° | 109.4° |
| C41 | C45 | H63 | 109.5° | 109.4° |
| C14 | C12 | C10 | 114.0° | 109.5° |
| C14 | C12 | H10 | 108.3° | 109.5° |
| C14 | C12 | H8 | 108.3° | 109.5° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H12 | 109.5° | 109.5° |
| C41 | C42 | O5 | 111.1° | 109.0° |
| C41 | C42 | C43 | 111.1° | 114.6° |
| C42 | C41 | C40 | 108.3° | 111.9° |
| C42 | C41 | O4 | 106.7° | 108.2° |
| C41 | C42 | H56 | 106.8° | 108.4° |
| O5 | C42 | C43 | 112.2° | 109.1° |
| C42 | O5 | H82 | 109.5° | 114.1° |
| O5 | C42 | H56 | 108.4° | 107.0° |
| C42 | C43 | C44 | 114.7° | 111.2° |
| C42 | C43 | O6 | 112.6° | 113.4° |
| C43 | C42 | H56 | 106.8° | 108.5° |
| C42 | C43 | H57 | 105.2° | 107.3° |
| C44 | C43 | O6 | 111.3° | 110.9° |
| C44 | C43 | H57 | 105.4° | 106.6° |
| C43 | C44 | H60 | 109.5° | 109.5° |
| C43 | C44 | H59 | 109.5° | 109.5° |
| C43 | C44 | H58 | 109.5° | 109.4° |
| C41 | C40 | C38 | 113.7° | 110.3° |
| C40 | C41 | O4 | 114.7° | 107.9° |
| C41 | C40 | H55 | 108.4° | 109.5° |
| C41 | C40 | H54 | 108.4° | 109.6° |
| C40 | C38 | O6 | 111.3° | 109.0° |
| C40 | C38 | O15 | 106.1° | 109.1° |
| C40 | C38 | H52 | 109.0° | 110.3° |
| C38 | C40 | H55 | 108.4° | 109.3° |
| C38 | C40 | H54 | 108.4° | 109.4° |
| C41 | O4 | C46 | 118.9° | 114.0° |
| C13 | C17 | N4 | 121.5° | 120.8° |
| C17 | C13 | C11 | 119.1° | 119.2° |
| C17 | C13 | H5 | 120.4° | 120.4° |
| C17 | N4 | C15 | 118.6° | 121.8° |
| O2 | C2 | C24 | 121.9° | 116.9° |
| O2 | C2 | O11 | 126.2° | 117.7° |
| C13 | C11 | C9 | 120.3° | 118.4° |
| C11 | C13 | H5 | 120.5° | 120.4° |
| C13 | C11 | H3 | 119.8° | 120.8° |
| C43 | O6 | C38 | 116.3° | 116.5° |
| O6 | C43 | H57 | 106.7° | 107.1° |
| C16 | C24 | C2 | 110.2° | 111.7° |
| C16 | C24 | C39 | 116.0° | 110.0° |
| C16 | C24 | H33 | 106.0° | 111.0° |
| C24 | C16 | H18 | 109.5° | 109.4° |
| C24 | C16 | H17 | 109.5° | 109.5° |
| C24 | C16 | H19 | 109.5° | 109.4° |
| O6 | C38 | O15 | 108.3° | 109.2° |
| O6 | C38 | H52 | 111.0° | 110.6° |
| C38 | O15 | C39 | 117.6° | 114.0° |
| O15 | C38 | H52 | 111.1° | 108.7° |
| N4 | C15 | C9 | 123.5° | 120.6° |
| N4 | C15 | H7 | 118.2° | 119.6° |
| C12 | C10 | O11 | 107.5° | 111.8° |
| C12 | C10 | C8 | 116.1° | 113.5° |
| C12 | C10 | H6 | 107.8° | 108.0° |
| C10 | C12 | H10 | 108.3° | 109.4° |
| C10 | C12 | H8 | 108.3° | 109.5° |
| C24 | C2 | O11 | 111.8° | 125.3° |
| C2 | C24 | C39 | 111.9° | 110.8° |
| C2 | C24 | H33 | 106.2° | 108.4° |
| C2 | O11 | C10 | 122.3° | 121.7° |
| O4 | C46 | H64 | 109.5° | 109.5° |
| O4 | C46 | H66 | 109.4° | 109.5° |
| O4 | C46 | H65 | 109.5° | 109.4° |
| C11 | C9 | C15 | 117.0° | 119.2° |
| C11 | C9 | C7 | 121.5° | 120.5° |
| C9 | C11 | H3 | 119.9° | 120.8° |
| O15 | C39 | C24 | 108.9° | 109.5° |
| O15 | C39 | C50 | 108.8° | 108.4° |
| O15 | C39 | H53 | 110.1° | 109.0° |
| O11 | C10 | C8 | 108.2° | 105.1° |
| O11 | C10 | H6 | 109.5° | 108.7° |
| C10 | C8 | O10 | 110.5° | 103.3° |
| C10 | C8 | C6 | 109.2° | 109.7° |
| C10 | C8 | C27 | 111.3° | 108.4° |
| C8 | C10 | H6 | 107.6° | 109.7° |
| C24 | C39 | C50 | 112.2° | 110.9° |
| C39 | C24 | H33 | 105.9° | 104.8° |
| C24 | C39 | H53 | 108.3° | 112.2° |
| C15 | C9 | C7 | 121.5° | 120.4° |
| C9 | C15 | H7 | 118.3° | 119.7° |
| C39 | C50 | C18 | 112.1° | 108.3° |
| C39 | C50 | C52 | 111.6° | 107.8° |
| C50 | C39 | H53 | 108.4° | 106.7° |
| C39 | C50 | H72 | 106.1° | 105.6° |
| C9 | C7 | C34 | 119.8° | 120.1° |
| C9 | C7 | C5 | 121.9° | 120.0° |
| O9 | C6 | C8 | 109.0° | 111.3° |
| O9 | C6 | C4 | 111.8° | 108.8° |
| O9 | C6 | H4 | 107.4° | 110.7° |
| C6 | O9 | H84 | 109.5° | 114.0° |
| O10 | C8 | C6 | 108.6° | 107.3° |
| O10 | C8 | C27 | 103.1° | 110.4° |
| C8 | O10 | H85 | 109.5° | 114.0° |
| C6 | C8 | C27 | 114.0° | 116.8° |
| C8 | C6 | C4 | 116.7° | 112.1° |
| C8 | C6 | H4 | 105.7° | 103.8° |
| C8 | C27 | H40 | 109.5° | 109.5° |
| C8 | C27 | H42 | 109.4° | 109.5° |
| C8 | C27 | H41 | 109.5° | 109.5° |
| C6 | C4 | N1 | 111.6° | 106.9° |
| C6 | C4 | C26 | 115.7° | 109.5° |
| C6 | C4 | H2 | 104.8° | 110.5° |
| C4 | C6 | H4 | 105.7° | 110.2° |
| C34 | C7 | C5 | 118.2° | 119.8° |
| C7 | C34 | C32 | 121.0° | 120.0° |
| C7 | C34 | H27 | 119.5° | 120.0° |
| C7 | C5 | F1 | 120.8° | 120.0° |
| C7 | C5 | C3 | 120.8° | 119.9° |
| C34 | C32 | C30 | 120.5° | 120.1° |
| C34 | C32 | H25 | 119.8° | 119.9° |
| C32 | C34 | H27 | 119.5° | 120.0° |
| C18 | C50 | C52 | 114.3° | 111.6° |
| C50 | C18 | H24 | 109.5° | 109.4° |
| C50 | C18 | H22 | 109.5° | 109.4° |
| C50 | C18 | H20 | 109.5° | 109.5° |
| C18 | C50 | H72 | 106.1° | 115.6° |
| C50 | C52 | C53 | 115.6° | 118.3° |
| C50 | C52 | O12 | 110.8° | 107.4° |
| C52 | C50 | H72 | 105.9° | 107.5° |
| C50 | C52 | H75 | 106.6° | 109.4° |
| O8 | C53 | C52 | 109.2° | 108.6° |
| O8 | C53 | C20 | 103.9° | 107.9° |
| O8 | C53 | C54 | 108.6° | 106.8° |
| C53 | O8 | H83 | 109.5° | 114.1° |
| C37 | C36 | O14 | 108.3° | 109.5° |
| C37 | C36 | C35 | 112.1° | 109.4° |
| C37 | C36 | H48 | 108.4° | 109.5° |
| C36 | C37 | H51 | 109.5° | 109.5° |
| C36 | C37 | H50 | 109.5° | 109.5° |
| C36 | C37 | H49 | 109.5° | 109.5° |
| C53 | C52 | O12 | 108.5° | 105.4° |
| C52 | C53 | C20 | 110.3° | 110.5° |
| C52 | C53 | C54 | 112.7° | 113.5° |
| C53 | C52 | H75 | 106.7° | 113.6° |
| C52 | O12 | C29 | 116.1° | 114.0° |
| O12 | C52 | H75 | 108.3° | 101.0° |
| O14 | C36 | C35 | 109.8° | 109.4° |
| C36 | O14 | C29 | 113.6° | 114.0° |
| O14 | C36 | H48 | 109.9° | 109.5° |
| C36 | C35 | C33 | 112.0° | 109.1° |
| C36 | C35 | H47 | 108.9° | 109.6° |
| C36 | C35 | H46 | 108.8° | 109.6° |
| C35 | C36 | H48 | 108.4° | 109.5° |
| F1 | C5 | C3 | 118.3° | 120.1° |
| C5 | C3 | C30 | 120.7° | 120.0° |
| C5 | C3 | H1 | 119.7° | 120.0° |
| C25 | N1 | C4 | 114.4° | 104.6° |
| C25 | N1 | C56 | 111.6° | 108.6° |
| N1 | C25 | H35 | 109.5° | 109.5° |
| N1 | C25 | H34 | 109.5° | 109.4° |
| N1 | C25 | H36 | 109.5° | 109.4° |
| O14 | C29 | O12 | 108.0° | 109.4° |
| O14 | C29 | C31 | 109.3° | 109.5° |
| O14 | C29 | H43 | 111.4° | 109.5° |
| C20 | C53 | C54 | 111.7° | 109.3° |
| C53 | C20 | H26 | 109.5° | 109.5° |
| C53 | C20 | H29 | 109.5° | 109.5° |
| C53 | C20 | H28 | 109.5° | 109.5° |
| C53 | C54 | C55 | 119.8° | 122.5° |
| C53 | C54 | H76 | 106.8° | 110.2° |
| C53 | C54 | H77 | 106.9° | 112.2° |
| C32 | C30 | C3 | 118.8° | 120.2° |
| C32 | C30 | N2 | 121.7° | 119.9° |
| C30 | C32 | H25 | 119.7° | 120.0° |
| N1 | C4 | C26 | 112.9° | 108.0° |
| C4 | N1 | C56 | 113.1° | 108.8° |
| N1 | C4 | H2 | 105.7° | 110.3° |
| C26 | C4 | H2 | 105.0° | 111.5° |
| C4 | C26 | H39 | 109.5° | 109.5° |
| C4 | C26 | H38 | 109.5° | 109.5° |
| C4 | C26 | H37 | 109.5° | 109.5° |
| O12 | C29 | C31 | 106.8° | 109.4° |
| O12 | C29 | H43 | 111.6° | 109.5° |
| C29 | C31 | C33 | 111.5° | 109.1° |
| C29 | C31 | O13 | 112.0° | 109.6° |
| C31 | C29 | H43 | 109.5° | 109.5° |
| C29 | C31 | H44 | 107.7° | 109.5° |
| N1 | C56 | C55 | 112.6° | 116.6° |
| N1 | C56 | H80 | 108.7° | 102.7° |
| N1 | C56 | H79 | 108.7° | 108.6° |
| C35 | C33 | C31 | 112.0° | 109.0° |
| C35 | C33 | N3 | 115.4° | 109.5° |
| C35 | C33 | H45 | 104.4° | 109.6° |
| C33 | C35 | H47 | 108.8° | 109.5° |
| C33 | C35 | H46 | 108.8° | 109.5° |
| C3 | C30 | N2 | 119.4° | 119.9° |
| C30 | C3 | H1 | 119.7° | 120.0° |
| C30 | N2 | C28 | 124.9° | 125.5° |
| C30 | N2 | C1 | 126.5° | 125.5° |
| C31 | C33 | N3 | 114.4° | 109.6° |
| C33 | C31 | O13 | 108.6° | 109.5° |
| C33 | C31 | H44 | 107.5° | 109.6° |
| C31 | C33 | H45 | 104.2° | 109.6° |
| C33 | N3 | C48 | 118.0° | 111.0° |
| C33 | N3 | C47 | 115.7° | 111.0° |
| N3 | C33 | H45 | 105.0° | 109.5° |
| C31 | O13 | H86 | 109.5° | 114.0° |
| O13 | C31 | H44 | 109.3° | 109.5° |
| C54 | C55 | C56 | 114.5° | 109.5° |
| C54 | C55 | C22 | 109.9° | 112.3° |
| C55 | C54 | H76 | 106.9° | 102.4° |
| C55 | C54 | H77 | 106.8° | 106.1° |
| C54 | C55 | H78 | 107.8° | 102.3° |
| C51 | N5 | C49 | 125.0° | 120.0° |
| N5 | C51 | C23 | 115.0° | 109.5° |
| C51 | N5 | H81 | 117.5° | 120.0° |
| N5 | C51 | H74 | 108.1° | 109.5° |
| N5 | C51 | H73 | 108.1° | 109.5° |
| N5 | C49 | C48 | 115.4° | 120.0° |
| N5 | C49 | O7 | 121.4° | 120.0° |
| C49 | N5 | H81 | 117.5° | 120.0° |
| C51 | C23 | C28 | 112.6° | 110.5° |
| C51 | C23 | O3 | 111.7° | 110.5° |
| C51 | C23 | H15 | 109.8° | 110.6° |
| C23 | C51 | H74 | 108.1° | 109.4° |
| C23 | C51 | H73 | 108.1° | 109.4° |
| C49 | C48 | N3 | 117.0° | 109.5° |
| C48 | C49 | O7 | 123.2° | 120.0° |
| C49 | C48 | H70 | 107.6° | 109.5° |
| C49 | C48 | H71 | 107.6° | 109.4° |
| C48 | N3 | C47 | 116.1° | 111.0° |
| N3 | C48 | H70 | 107.6° | 109.5° |
| N3 | C48 | H71 | 107.5° | 109.5° |
| C56 | C55 | C22 | 108.4° | 110.0° |
| C56 | C55 | H78 | 108.0° | 115.0° |
| C55 | C56 | H80 | 108.7° | 109.5° |
| C55 | C56 | H79 | 108.7° | 111.1° |
| C28 | N2 | C1 | 107.8° | 108.9° |
| N2 | C28 | C23 | 102.1° | 103.8° |
| N2 | C28 | H23 | 111.3° | 110.6° |
| N2 | C28 | H21 | 111.3° | 110.7° |
| N2 | C1 | O1 | 130.8° | 123.1° |
| N2 | C1 | O3 | 106.7° | 113.8° |
| N3 | C47 | H68 | 109.5° | 109.5° |
| N3 | C47 | H67 | 109.5° | 109.5° |
| N3 | C47 | H69 | 109.5° | 109.5° |
| C55 | C22 | H31 | 109.5° | 109.4° |
| C55 | C22 | H30 | 109.5° | 109.5° |
| C55 | C22 | H32 | 109.5° | 109.4° |
| C22 | C55 | H78 | 108.2° | 107.5° |
| C28 | C23 | O3 | 100.1° | 104.0° |
| C23 | C28 | H23 | 111.3° | 110.5° |
| C23 | C28 | H21 | 111.3° | 110.6° |
| C28 | C23 | H15 | 110.5° | 110.5° |
| O1 | C1 | O3 | 122.5° | 123.1° |
| C1 | O3 | C23 | 112.6° | 109.5° |
| O3 | C23 | H15 | 111.9° | 110.5° |
| H26 | C20 | H29 | 109.5° | 109.4° |
| H26 | C20 | H28 | 109.4° | 109.5° |
| H29 | C20 | H28 | 109.5° | 109.5° |
| H9 | C21 | H11 | 109.5° | 109.5° |
| H9 | C21 | H13 | 109.4° | 109.5° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H31 | C22 | H30 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.4° | 109.5° |
| H30 | C22 | H32 | 109.5° | 109.5° |
| H39 | C26 | H38 | 109.5° | 109.5° |
| H39 | C26 | H37 | 109.5° | 109.5° |
| H38 | C26 | H37 | 109.5° | 109.4° |
| H23 | C28 | H21 | 109.5° | 110.5° |
| H10 | C12 | H8 | 109.5° | 109.5° |
| H16 | C14 | H14 | 109.4° | 109.5° |
| H16 | C14 | H12 | 109.5° | 109.5° |
| H14 | C14 | H12 | 109.5° | 109.5° |
| H18 | C16 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H17 | C16 | H19 | 109.4° | 109.6° |
| H24 | C18 | H22 | 109.5° | 109.5° |
| H24 | C18 | H20 | 109.5° | 109.5° |
| H22 | C18 | H20 | 109.4° | 109.5° |
| H35 | C25 | H34 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.5° | 109.5° |
| H40 | C27 | H42 | 109.5° | 109.5° |
| H40 | C27 | H41 | 109.5° | 109.5° |
| H42 | C27 | H41 | 109.5° | 109.5° |
| H47 | C35 | H46 | 109.5° | 109.5° |
| H51 | C37 | H50 | 109.5° | 109.4° |
| H51 | C37 | H49 | 109.4° | 109.5° |
| H50 | C37 | H49 | 109.4° | 109.5° |
| H55 | C40 | H54 | 109.5° | 108.8° |
| H60 | C44 | H59 | 109.5° | 109.5° |
| H60 | C44 | H58 | 109.4° | 109.5° |
| H59 | C44 | H58 | 109.5° | 109.4° |
| H62 | C45 | H61 | 109.5° | 109.5° |
| H62 | C45 | H63 | 109.5° | 109.5° |
| H61 | C45 | H63 | 109.4° | 109.5° |
| H64 | C46 | H66 | 109.5° | 109.5° |
| H64 | C46 | H65 | 109.5° | 109.5° |
| H66 | C46 | H65 | 109.5° | 109.5° |
| H68 | C47 | H67 | 109.5° | 109.5° |
| H68 | C47 | H69 | 109.5° | 109.4° |
| H67 | C47 | H69 | 109.5° | 109.5° |
| H70 | C48 | H71 | 109.5° | 109.5° |
| H74 | C51 | H73 | 109.5° | 109.5° |
| H76 | C54 | H77 | 109.5° | 101.0° |
| H80 | C56 | H79 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N7 | N8 | N6 | 171.4° | 180.0° |
| C21 | N7 | N8 | N9 | 174.3° | 180.0° |
| C21 | N7 | N6 | C19 | 174.2° | 179.9° |
| N7 | C21 | H9 | H11 | 120.0° | 120.0° |
| N7 | C21 | H9 | H13 | 120.0° | 120.0° |
| N7 | C21 | H11 | H13 | 120.0° | 120.0° |
| N8 | N7 | N6 | C19 | 2.7° | 0.1° |
| N7 | N8 | N9 | C19 | 1.7° | 0.0° |
| N8 | N7 | C21 | H9 | 0.0° | 90.0° |
| N8 | N7 | C21 | H11 | 120.0° | 150.0° |
| N8 | N7 | C21 | H13 | 120.0° | 30.0° |
| N6 | N7 | N8 | N9 | 2.9° | 0.0° |
| N7 | N6 | C19 | N9 | 1.5° | 0.1° |
| N7 | N6 | C19 | C17 | 179.0° | 180.0° |
| N6 | N7 | C21 | H9 | 170.8° | 90.0° |
| N6 | N7 | C21 | H11 | 50.8° | 30.0° |
| N6 | N7 | C21 | H13 | 69.2° | 150.0° |
| N8 | N9 | C19 | N6 | 0.2° | 0.1° |
| N8 | N9 | C19 | C17 | 179.3° | 180.0° |
| N6 | C19 | N9 | C17 | 179.5° | 179.9° |
| N6 | C19 | C17 | C13 | 0.6° | 179.9° |
| N6 | C19 | C17 | N4 | 179.7° | 0.0° |
| N9 | C19 | C17 | C13 | 178.8° | 0.0° |
| N9 | C19 | C17 | N4 | 0.9° | 179.9° |
| C19 | C17 | C13 | N4 | 179.7° | 179.9° |
| C19 | C17 | C13 | C11 | 179.4° | 180.0° |
| C19 | C17 | N4 | C15 | 179.3° | 180.0° |
| C19 | C17 | C13 | H5 | 0.5° | 0.3° |
| C45 | C41 | C42 | C40 | 121.4° | 123.5° |
| C45 | C41 | C42 | O4 | 114.7° | 117.8° |
| C45 | C41 | C42 | O5 | 64.0° | 155.8° |
| C45 | C41 | C42 | C43 | 170.2° | 81.7° |
| C45 | C41 | C40 | O4 | 118.7° | 117.2° |
| C45 | C41 | C40 | C38 | 174.1° | 73.0° |
| C45 | C41 | O4 | C46 | 78.1° | 58.9° |
| C45 | C41 | C40 | H55 | 65.2° | 47.3° |
| C45 | C41 | C40 | H54 | 53.5° | 166.6° |
| C45 | C41 | C42 | H56 | 54.1° | 39.7° |
| C41 | C45 | H62 | H61 | 120.0° | 119.9° |
| C41 | C45 | H62 | H63 | 120.0° | 120.0° |
| C41 | C45 | H61 | H63 | 120.0° | 119.9° |
| C14 | C12 | C10 | H10 | 120.7° | 120.0° |
| C14 | C12 | C10 | H8 | 120.7° | 120.0° |
| C14 | C12 | C10 | O11 | 61.5° | 65.0° |
| C14 | C12 | C10 | C8 | 177.2° | 176.4° |
| C14 | C12 | C10 | H6 | 56.5° | 54.5° |
| C14 | C12 | H10 | H8 | 117.9° | 120.0° |
| C12 | C14 | H16 | H14 | 120.0° | 120.0° |
| C12 | C14 | H16 | H12 | 120.0° | 120.0° |
| C12 | C14 | H14 | H12 | 120.0° | 120.0° |
| C41 | C42 | O5 | C43 | 125.1° | 125.7° |
| C41 | C42 | O5 | H56 | 117.1° | 117.1° |
| C41 | C42 | C43 | H56 | 116.2° | 121.3° |
| C41 | C42 | C43 | C44 | 128.4° | 85.6° |
| C42 | C41 | C40 | O4 | 119.0° | 118.9° |
| C42 | C41 | C40 | C38 | 51.8° | 50.9° |
| C41 | C42 | C43 | O6 | 0.3° | 40.1° |
| C42 | C41 | O4 | C46 | 163.1° | 178.8° |
| C41 | C42 | O5 | H82 | 180.0° | 180.0° |
| C42 | C41 | C40 | H55 | 172.4° | 171.2° |
| C42 | C41 | C40 | H54 | 68.8° | 69.5° |
| C41 | C42 | C43 | H57 | 116.2° | 158.2° |
| C42 | C41 | C45 | H62 | 180.0° | 175.6° |
| C42 | C41 | C45 | H61 | 60.0° | 55.6° |
| C42 | C41 | C45 | H63 | 60.0° | 64.4° |
| O5 | C42 | C43 | H56 | 118.7° | 116.3° |
| O5 | C42 | C43 | C44 | 106.5° | 151.9° |
| O5 | C42 | C41 | C40 | 174.6° | 80.7° |
| O5 | C42 | C41 | O4 | 50.7° | 38.0° |
| O5 | C42 | C43 | O6 | 124.8° | 82.3° |
| O5 | C42 | C43 | H57 | 8.9° | 35.7° |
| C42 | C43 | C44 | O6 | 129.4° | 127.2° |
| C42 | C43 | C44 | H57 | 115.3° | 116.6° |
| C43 | C42 | C41 | C40 | 48.9° | 41.8° |
| C43 | C42 | C41 | O4 | 75.1° | 160.5° |
| C42 | C43 | O6 | H57 | 115.0° | 118.2° |
| C42 | C43 | O6 | C38 | 56.0° | 50.8° |
| C43 | C42 | O5 | H82 | 54.9° | 54.2° |
| C42 | C43 | C44 | H60 | 180.0° | 59.9° |
| C42 | C43 | C44 | H59 | 60.0° | 180.0° |
| C42 | C43 | C44 | H58 | 60.0° | 60.1° |
| C44 | C43 | O6 | H57 | 114.6° | 115.9° |
| C44 | C43 | O6 | C38 | 74.4° | 75.2° |
| C44 | C43 | C42 | H56 | 12.3° | 35.7° |
| C43 | C44 | H60 | H59 | 120.0° | 120.0° |
| C43 | C44 | H60 | H58 | 120.0° | 120.0° |
| C43 | C44 | H59 | H58 | 120.0° | 119.9° |
| C41 | C40 | C38 | H55 | 120.6° | 120.4° |
| C41 | C40 | C38 | H54 | 120.6° | 120.6° |
| C41 | C40 | C38 | O6 | 2.8° | 58.8° |
| C41 | C40 | C38 | O15 | 114.8° | 177.9° |
| C40 | C41 | O4 | C46 | 43.2° | 60.0° |
| C41 | C40 | C38 | H52 | 125.5° | 62.8° |
| C41 | C40 | H55 | H54 | 118.0° | 119.7° |
| C40 | C41 | C42 | H56 | 67.3° | 163.1° |
| C40 | C41 | C45 | H62 | 59.7° | 60.0° |
| C40 | C41 | C45 | H61 | 179.7° | 180.0° |
| C40 | C41 | C45 | H63 | 60.3° | 60.0° |
| C38 | C40 | C41 | O4 | 67.2° | 169.8° |
| C40 | C38 | O6 | C43 | 53.8° | 60.2° |
| C40 | C38 | O6 | O15 | 116.3° | 119.0° |
| C40 | C38 | O6 | H52 | 121.5° | 121.4° |
| C40 | C38 | O15 | H52 | 118.3° | 120.3° |
| C40 | C38 | O15 | C39 | 157.6° | 172.7° |
| C38 | C40 | H55 | H54 | 118.1° | 119.3° |
| O4 | C41 | C40 | H55 | 53.4° | 69.9° |
| O4 | C41 | C40 | H54 | 172.2° | 49.4° |
| O4 | C41 | C42 | H56 | 168.8° | 78.1° |
| O4 | C41 | C45 | H62 | 64.5° | 57.4° |
| O4 | C41 | C45 | H61 | 55.5° | 62.6° |
| O4 | C41 | C45 | H63 | 175.5° | 177.5° |
| C41 | O4 | C46 | H64 | 180.0° | 180.0° |
| C41 | O4 | C46 | H66 | 60.0° | 60.0° |
| C41 | O4 | C46 | H65 | 60.0° | 60.0° |
| C17 | C13 | C11 | H5 | 180.0° | 179.6° |
| C13 | C17 | N4 | C15 | 0.4° | 0.1° |
| C17 | C13 | C11 | C9 | 0.3° | 0.3° |
| C17 | C13 | C11 | H3 | 179.7° | 179.7° |
| N4 | C17 | C13 | C11 | 0.3° | 0.1° |
| C17 | N4 | C15 | C9 | 0.1° | 0.3° |
| N4 | C17 | C13 | H5 | 179.8° | 179.7° |
| C17 | N4 | C15 | H7 | 179.9° | 179.7° |
| O2 | C2 | C24 | C16 | 77.4° | 90.8° |
| O2 | C2 | C24 | O11 | 179.1° | 178.1° |
| O2 | C2 | O11 | C10 | 3.7° | 2.9° |
| O2 | C2 | C24 | C39 | 53.2° | 32.1° |
| O2 | C2 | C24 | H33 | 168.3° | 146.6° |
| C13 | C11 | C9 | H3 | 180.0° | 180.0° |
| C13 | C11 | C9 | C15 | 0.7° | 0.5° |
| C13 | C11 | C9 | C7 | 180.0° | 179.4° |
| C43 | O6 | C38 | O15 | 170.0° | 179.3° |
| C43 | O6 | C38 | H52 | 67.7° | 61.2° |
| O6 | C43 | C42 | H56 | 116.5° | 161.4° |
| O6 | C43 | C44 | H60 | 50.6° | 172.9° |
| O6 | C43 | C44 | H59 | 69.4° | 52.8° |
| O6 | C43 | C44 | H58 | 170.6° | 67.1° |
| C16 | C24 | C2 | C39 | 130.6° | 123.0° |
| C16 | C24 | C2 | H33 | 114.4° | 122.6° |
| C16 | C24 | C2 | O11 | 101.8° | 91.0° |
| C16 | C24 | C39 | O15 | 4.8° | 0.4° |
| C16 | C24 | C39 | H33 | 117.2° | 119.3° |
| C16 | C24 | C39 | C50 | 125.3° | 120.0° |
| C24 | C16 | H18 | H17 | 120.0° | 120.0° |
| C24 | C16 | H18 | H19 | 120.0° | 120.0° |
| C24 | C16 | H17 | H19 | 120.0° | 120.0° |
| C16 | C24 | C39 | H53 | 115.0° | 120.7° |
| O6 | C38 | O15 | H52 | 122.1° | 120.7° |
| O6 | C38 | O15 | C39 | 82.8° | 68.3° |
| O6 | C38 | C40 | H55 | 123.5° | 179.2° |
| O6 | C38 | C40 | H54 | 117.8° | 61.8° |
| C38 | O6 | C43 | H57 | 171.0° | 168.9° |
| C38 | O15 | C39 | C24 | 113.0° | 89.6° |
| C38 | O15 | C39 | C50 | 124.4° | 149.3° |
| C38 | O15 | C39 | H53 | 5.7° | 33.4° |
| O15 | C38 | C40 | H55 | 5.9° | 61.6° |
| O15 | C38 | C40 | H54 | 124.6° | 57.3° |
| N4 | C15 | C9 | C11 | 0.6° | 0.5° |
| N4 | C15 | C9 | H7 | 180.0° | 179.4° |
| N4 | C15 | C9 | C7 | 179.9° | 179.4° |
| C12 | C10 | O11 | C2 | 115.7° | 104.9° |
| C12 | C10 | O11 | C8 | 126.1° | 123.5° |
| C12 | C10 | O11 | H6 | 116.9° | 119.1° |
| C12 | C10 | C8 | H6 | 120.8° | 120.9° |
| C12 | C10 | C8 | O10 | 44.8° | 37.3° |
| C12 | C10 | C8 | C6 | 164.2° | 151.5° |
| C12 | C10 | C8 | C27 | 69.0° | 79.9° |
| C10 | C12 | H10 | H8 | 117.9° | 120.0° |
| C10 | C12 | C14 | H16 | 180.0° | 180.0° |
| C10 | C12 | C14 | H14 | 60.0° | 60.0° |
| C10 | C12 | C14 | H12 | 60.0° | 60.0° |
| C2 | C24 | C39 | O15 | 132.4° | 124.4° |
| C24 | C2 | O11 | C10 | 177.2° | 179.0° |
| C2 | C24 | C39 | H33 | 115.3° | 116.7° |
| C2 | C24 | C39 | C50 | 107.2° | 116.0° |
| C2 | C24 | C16 | H18 | 180.0° | 63.4° |
| C2 | C24 | C16 | H17 | 60.0° | 56.5° |
| C2 | C24 | C16 | H19 | 60.0° | 176.6° |
| C2 | C24 | C39 | H53 | 12.5° | 3.2° |
| C2 | O11 | C10 | C8 | 118.1° | 131.6° |
| O11 | C2 | C24 | C39 | 127.6° | 146.0° |
| C2 | O11 | C10 | H6 | 1.2° | 14.2° |
| O11 | C2 | C24 | H33 | 12.6° | 31.5° |
| O4 | C46 | H64 | H66 | 120.0° | 120.1° |
| O4 | C46 | H64 | H65 | 120.0° | 120.0° |
| O4 | C46 | H66 | H65 | 120.0° | 120.0° |
| C11 | C9 | C15 | C7 | 179.3° | 179.9° |
| C11 | C9 | C7 | C34 | 136.9° | 130.0° |
| C11 | C9 | C7 | C5 | 42.3° | 50.1° |
| C9 | C11 | C13 | H5 | 179.7° | 179.9° |
| C11 | C9 | C15 | H7 | 179.4° | 179.9° |
| O15 | C39 | C24 | C50 | 120.5° | 119.6° |
| O15 | C39 | C24 | H53 | 119.8° | 121.2° |
| O15 | C39 | C50 | H53 | 119.8° | 117.3° |
| O15 | C39 | C50 | C18 | 50.6° | 6.3° |
| O15 | C39 | C50 | C52 | 79.1° | 127.1° |
| O15 | C39 | C24 | H33 | 112.4° | 118.9° |
| C39 | O15 | C38 | H52 | 39.3° | 52.4° |
| O15 | C39 | C50 | H72 | 165.9° | 118.2° |
| O11 | C10 | C8 | H6 | 118.2° | 116.7° |
| O11 | C10 | C8 | O10 | 165.8° | 159.7° |
| O11 | C10 | C8 | C6 | 74.8° | 86.1° |
| O11 | C10 | C8 | C27 | 51.9° | 42.5° |
| O11 | C10 | C12 | H10 | 59.2° | 175.0° |
| O11 | C10 | C12 | H8 | 177.9° | 55.0° |
| C10 | C8 | C6 | O9 | 69.1° | 83.8° |
| C10 | C8 | O10 | C6 | 119.8° | 115.9° |
| C10 | C8 | O10 | C27 | 119.0° | 115.8° |
| C10 | C8 | C6 | C27 | 125.2° | 123.9° |
| C10 | C8 | C6 | C4 | 163.1° | 154.2° |
| C10 | C8 | C6 | H4 | 46.0° | 35.3° |
| C10 | C8 | O10 | H85 | 180.0° | 64.1° |
| C8 | C10 | C12 | H10 | 62.2° | 56.4° |
| C8 | C10 | C12 | H8 | 56.5° | 63.6° |
| C10 | C8 | C27 | H40 | 180.0° | 64.6° |
| C10 | C8 | C27 | H42 | 60.0° | 55.4° |
| C10 | C8 | C27 | H41 | 60.0° | 175.4° |
| C24 | C39 | C50 | H53 | 119.6° | 122.5° |
| C24 | C39 | C50 | C18 | 70.0° | 126.5° |
| C24 | C39 | C50 | C52 | 160.3° | 112.6° |
| C39 | C24 | C16 | H18 | 51.7° | 60.0° |
| C39 | C24 | C16 | H17 | 68.4° | 180.0° |
| C39 | C24 | C16 | H19 | 171.7° | 60.0° |
| C24 | C39 | C50 | H72 | 45.4° | 2.1° |
| C15 | C9 | C7 | C34 | 42.4° | 50.0° |
| C15 | C9 | C7 | C5 | 138.4° | 130.0° |
| C15 | C9 | C11 | H3 | 179.3° | 179.5° |
| C39 | C50 | C18 | C52 | 128.3° | 118.5° |
| C39 | C50 | C18 | H72 | 115.4° | 118.2° |
| C39 | C50 | C52 | H72 | 115.0° | 113.4° |
| C39 | C50 | C52 | C53 | 97.8° | 162.4° |
| C39 | C50 | C52 | O12 | 138.2° | 78.5° |
| C50 | C39 | C24 | H33 | 8.1° | 0.7° |
| C39 | C50 | C18 | H24 | 180.0° | 60.0° |
| C39 | C50 | C18 | H22 | 60.0° | 180.0° |
| C39 | C50 | C18 | H20 | 60.0° | 60.0° |
| C39 | C50 | C52 | H75 | 20.5° | 30.3° |
| C9 | C7 | C34 | C5 | 179.2° | 180.0° |
| C9 | C7 | C34 | C32 | 177.9° | 179.9° |
| C9 | C7 | C5 | F1 | 2.9° | 0.3° |
| C9 | C7 | C5 | C3 | 176.9° | 180.0° |
| C7 | C9 | C15 | H7 | 0.1° | 0.0° |
| C7 | C9 | C11 | H3 | 0.0° | 0.6° |
| C9 | C7 | C34 | H27 | 2.1° | 0.0° |
| O9 | C6 | C8 | O10 | 51.4° | 27.8° |
| O9 | C6 | C8 | C4 | 127.7° | 122.1° |
| O9 | C6 | C8 | H4 | 115.1° | 119.1° |
| O9 | C6 | C8 | C27 | 165.7° | 152.4° |
| O9 | C6 | C4 | H4 | 116.6° | 121.5° |
| O9 | C6 | C4 | N1 | 82.0° | 62.7° |
| O9 | C6 | C4 | C26 | 48.9° | 54.1° |
| O9 | C6 | C4 | H2 | 164.1° | 177.3° |
| O10 | C8 | C6 | C27 | 114.3° | 124.5° |
| O10 | C8 | C6 | C4 | 76.4° | 94.2° |
| O10 | C8 | C6 | H4 | 166.5° | 146.9° |
| O10 | C8 | C10 | H6 | 76.0° | 83.6° |
| O10 | C8 | C27 | H40 | 61.6° | 177.0° |
| O10 | C8 | C27 | H42 | 178.4° | 57.0° |
| O10 | C8 | C27 | H41 | 58.4° | 63.0° |
| C8 | C6 | C4 | H4 | 117.1° | 115.0° |
| C8 | C6 | C4 | N1 | 151.7° | 173.9° |
| C8 | C6 | C4 | C26 | 77.4° | 69.4° |
| C8 | C6 | C4 | H2 | 37.8° | 53.8° |
| C6 | C8 | C10 | H6 | 43.4° | 30.6° |
| C8 | C6 | O9 | H84 | 180.0° | 176.1° |
| C6 | C8 | O10 | H85 | 60.2° | 180.0° |
| C6 | C8 | C27 | H40 | 55.9° | 60.0° |
| C6 | C8 | C27 | H42 | 64.1° | 180.0° |
| C6 | C8 | C27 | H41 | 175.9° | 60.0° |
| C27 | C8 | C6 | C4 | 37.9° | 30.3° |
| C27 | C8 | C6 | H4 | 79.2° | 88.5° |
| C27 | C8 | C10 | H6 | 170.1° | 159.2° |
| C27 | C8 | O10 | H85 | 61.0° | 51.7° |
| C8 | C27 | H40 | H42 | 120.0° | 120.0° |
| C8 | C27 | H40 | H41 | 120.0° | 120.0° |
| C8 | C27 | H42 | H41 | 120.0° | 120.0° |
| C6 | C4 | N1 | C25 | 79.7° | 174.4° |
| C6 | C4 | N1 | C26 | 132.4° | 117.7° |
| C6 | C4 | N1 | H2 | 113.3° | 120.2° |
| C6 | C4 | C26 | H2 | 115.0° | 122.6° |
| C6 | C4 | N1 | C56 | 151.0° | 58.5° |
| C6 | C4 | C26 | H39 | 180.0° | 176.1° |
| C6 | C4 | C26 | H38 | 60.0° | 63.9° |
| C6 | C4 | C26 | H37 | 60.0° | 56.0° |
| C4 | C6 | O9 | H84 | 49.6° | 59.9° |
| C7 | C34 | C32 | H27 | 180.0° | 180.0° |
| C34 | C7 | C5 | F1 | 177.9° | 179.7° |
| C34 | C7 | C5 | C3 | 2.2° | 0.0° |
| C7 | C34 | C32 | C30 | 0.7° | 0.1° |
| C7 | C34 | C32 | H25 | 179.2° | 179.9° |
| C5 | C7 | C34 | C32 | 1.3° | 0.0° |
| C7 | C5 | F1 | C3 | 179.9° | 179.7° |
| C7 | C5 | C3 | C30 | 1.2° | 0.0° |
| C7 | C5 | C3 | H1 | 178.8° | 180.0° |
| C5 | C7 | C34 | H27 | 178.7° | 180.0° |
| C34 | C32 | C30 | H25 | 180.0° | 179.9° |
| C34 | C32 | C30 | C3 | 1.8° | 0.1° |
| C34 | C32 | C30 | N2 | 173.9° | 180.0° |
| C18 | C50 | C52 | H72 | 116.5° | 127.8° |
| C18 | C50 | C52 | C53 | 133.7° | 78.8° |
| C18 | C50 | C52 | O12 | 9.7° | 40.2° |
| C50 | C18 | H24 | H22 | 120.0° | 120.0° |
| C50 | C18 | H24 | H20 | 120.0° | 120.0° |
| C50 | C18 | H22 | H20 | 120.0° | 119.9° |
| C18 | C50 | C39 | H53 | 170.3° | 111.1° |
| C18 | C50 | C52 | H75 | 108.0° | 149.1° |
| C50 | C52 | C53 | O8 | 48.4° | 108.5° |
| C50 | C52 | C53 | O12 | 125.2° | 120.1° |
| C50 | C52 | C53 | H75 | 118.3° | 130.2° |
| C50 | C52 | O12 | H75 | 116.6° | 114.6° |
| C50 | C52 | C53 | C20 | 162.1° | 9.6° |
| C50 | C52 | C53 | C54 | 72.4° | 132.8° |
| C50 | C52 | O12 | C29 | 104.7° | 118.3° |
| C52 | C50 | C18 | H24 | 51.7° | 178.5° |
| C52 | C50 | C18 | H22 | 68.3° | 61.5° |
| C52 | C50 | C18 | H20 | 171.7° | 58.5° |
| C52 | C50 | C39 | H53 | 40.6° | 9.8° |
| O8 | C53 | C52 | C20 | 113.6° | 118.1° |
| O8 | C53 | C52 | C54 | 120.9° | 118.7° |
| O8 | C53 | C52 | O12 | 173.6° | 11.6° |
| O8 | C53 | C20 | C54 | 116.9° | 115.8° |
| O8 | C53 | C54 | C55 | 62.6° | 176.6° |
| O8 | C53 | C20 | H26 | 180.0° | 52.8° |
| O8 | C53 | C20 | H29 | 60.0° | 172.7° |
| O8 | C53 | C20 | H28 | 60.0° | 67.3° |
| O8 | C53 | C52 | H75 | 69.9° | 121.3° |
| O8 | C53 | C54 | H76 | 176.0° | 56.3° |
| O8 | C53 | C54 | H77 | 58.9° | 55.3° |
| C37 | C36 | O14 | C35 | 122.6° | 119.9° |
| C37 | C36 | O14 | H48 | 118.3° | 120.0° |
| C37 | C36 | C35 | H48 | 119.6° | 120.0° |
| C37 | C36 | O14 | C29 | 172.4° | 178.9° |
| C37 | C36 | C35 | C33 | 172.2° | 177.6° |
| C37 | C36 | C35 | H47 | 51.8° | 62.6° |
| C37 | C36 | C35 | H46 | 67.5° | 57.6° |
| C36 | C37 | H51 | H50 | 120.0° | 120.0° |
| C36 | C37 | H51 | H49 | 120.0° | 120.1° |
| C36 | C37 | H50 | H49 | 120.0° | 120.1° |
| C53 | C52 | O12 | H75 | 115.4° | 118.4° |
| C52 | C53 | C20 | C54 | 126.1° | 125.6° |
| C53 | C52 | O12 | C29 | 127.3° | 114.7° |
| C52 | C53 | C54 | C55 | 176.2° | 57.0° |
| C52 | C53 | C20 | H26 | 63.0° | 65.8° |
| C52 | C53 | C20 | H29 | 176.9° | 54.1° |
| C52 | C53 | C20 | H28 | 57.0° | 174.1° |
| C52 | C53 | O8 | H83 | 180.0° | 180.0° |
| C53 | C52 | C50 | H72 | 17.2° | 49.0° |
| C52 | C53 | C54 | H76 | 54.8° | 63.4° |
| C52 | C53 | C54 | H77 | 62.3° | 175.0° |
| C52 | O12 | C29 | O14 | 75.5° | 63.6° |
| O12 | C52 | C53 | C20 | 72.8° | 129.7° |
| O12 | C52 | C53 | C54 | 52.8° | 107.1° |
| C52 | O12 | C29 | C31 | 167.0° | 176.4° |
| C52 | O12 | C29 | H43 | 47.3° | 56.5° |
| O12 | C52 | C50 | H72 | 106.8° | 168.1° |
| O14 | C36 | C35 | H48 | 120.0° | 120.0° |
| C36 | O14 | C29 | O12 | 178.1° | 178.9° |
| C36 | O14 | C29 | C31 | 66.0° | 61.2° |
| O14 | C36 | C35 | C33 | 51.8° | 57.7° |
| C36 | O14 | C29 | H43 | 55.2° | 58.9° |
| O14 | C36 | C35 | H47 | 68.5° | 177.5° |
| O14 | C36 | C35 | H46 | 172.2° | 62.3° |
| O14 | C36 | C37 | H51 | 180.0° | 60.0° |
| O14 | C36 | C37 | H50 | 60.0° | 179.9° |
| O14 | C36 | C37 | H49 | 60.0° | 60.0° |
| C35 | C36 | O14 | C29 | 65.0° | 61.2° |
| C36 | C35 | C33 | H47 | 120.4° | 119.9° |
| C36 | C35 | C33 | H46 | 120.4° | 120.0° |
| C36 | C35 | C33 | C31 | 43.6° | 57.0° |
| C36 | C35 | C33 | N3 | 176.8° | 176.9° |
| C36 | C35 | C33 | H45 | 68.6° | 63.0° |
| C36 | C35 | H47 | H46 | 118.9° | 120.3° |
| C35 | C36 | C37 | H51 | 58.8° | 179.9° |
| C35 | C36 | C37 | H50 | 61.2° | 60.2° |
| C35 | C36 | C37 | H49 | 178.8° | 59.9° |
| F1 | C5 | C3 | C30 | 178.9° | 179.7° |
| F1 | C5 | C3 | H1 | 1.0° | 0.3° |
| C5 | C3 | C30 | C32 | 0.9° | 0.0° |
| C5 | C3 | C30 | H1 | 180.0° | 180.0° |
| C5 | C3 | C30 | N2 | 175.0° | 180.0° |
| C25 | N1 | C4 | C56 | 129.3° | 115.9° |
| C25 | N1 | C4 | C26 | 52.7° | 67.9° |
| C25 | N1 | C56 | C55 | 79.2° | 45.2° |
| C25 | N1 | C4 | H2 | 167.0° | 54.2° |
| N1 | C25 | H35 | H34 | 120.0° | 120.0° |
| N1 | C25 | H35 | H36 | 120.0° | 119.9° |
| N1 | C25 | H34 | H36 | 120.0° | 119.9° |
| C25 | N1 | C56 | H80 | 160.3° | 74.6° |
| C25 | N1 | C56 | H79 | 41.2° | 171.5° |
| O14 | C29 | O12 | C31 | 117.5° | 119.9° |
| O14 | C29 | O12 | H43 | 122.8° | 120.1° |
| O14 | C29 | C31 | H43 | 122.4° | 120.1° |
| O14 | C29 | C31 | C33 | 53.9° | 57.6° |
| O14 | C29 | C31 | O13 | 175.9° | 177.6° |
| O14 | C29 | C31 | H44 | 63.9° | 62.3° |
| C29 | O14 | C36 | H48 | 54.1° | 58.9° |
| C20 | C53 | C54 | C55 | 51.4° | 66.9° |
| C53 | C20 | H26 | H29 | 120.0° | 120.0° |
| C53 | C20 | H26 | H28 | 120.0° | 120.0° |
| C53 | C20 | H29 | H28 | 120.0° | 120.0° |
| C20 | C53 | O8 | H83 | 62.3° | 60.2° |
| C20 | C53 | C52 | H75 | 43.7° | 120.6° |
| C20 | C53 | C54 | H76 | 70.0° | 172.8° |
| C20 | C53 | C54 | H77 | 172.9° | 61.1° |
| C53 | C54 | C55 | H76 | 121.5° | 124.0° |
| C53 | C54 | C55 | H77 | 121.5° | 130.6° |
| C53 | C54 | C55 | C56 | 93.7° | 121.8° |
| C53 | C54 | C55 | C22 | 144.1° | 0.8° |
| C54 | C53 | C20 | H26 | 63.1° | 168.6° |
| C54 | C53 | C20 | H29 | 56.9° | 71.5° |
| C54 | C53 | C20 | H28 | 176.9° | 48.5° |
| C54 | C53 | O8 | H83 | 56.7° | 57.2° |
| C54 | C53 | C52 | H75 | 169.3° | 2.6° |
| C53 | C54 | H76 | H77 | 115.4° | 118.7° |
| C53 | C54 | C55 | H78 | 26.5° | 115.8° |
| C32 | C30 | C3 | N2 | 175.9° | 180.0° |
| C32 | C30 | N2 | C28 | 144.6° | 178.0° |
| C32 | C30 | N2 | C1 | 24.1° | 2.0° |
| C32 | C30 | C3 | H1 | 179.1° | 180.0° |
| C30 | C32 | C34 | H27 | 179.3° | 180.0° |
| N1 | C4 | C26 | H2 | 114.7° | 121.3° |
| C4 | N1 | C56 | C55 | 150.1° | 68.1° |
| N1 | C4 | C6 | H4 | 34.6° | 58.9° |
| N1 | C4 | C26 | H39 | 49.7° | 60.0° |
| N1 | C4 | C26 | H38 | 169.7° | 180.0° |
| N1 | C4 | C26 | H37 | 70.3° | 60.0° |
| C4 | N1 | C25 | H35 | 180.0° | 52.2° |
| C4 | N1 | C25 | H34 | 60.0° | 67.9° |
| C4 | N1 | C25 | H36 | 60.0° | 172.1° |
| C4 | N1 | C56 | H80 | 29.6° | 172.1° |
| C4 | N1 | C56 | H79 | 89.5° | 58.3° |
| C26 | C4 | N1 | C56 | 76.6° | 176.3° |
| C26 | C4 | C6 | H4 | 165.5° | 175.6° |
| C4 | C26 | H39 | H38 | 120.0° | 120.0° |
| C4 | C26 | H39 | H37 | 120.0° | 120.1° |
| C4 | C26 | H38 | H37 | 120.0° | 120.0° |
| O12 | C29 | C31 | H43 | 121.0° | 120.0° |
| O12 | C29 | C31 | C33 | 170.5° | 177.6° |
| O12 | C29 | C31 | O13 | 67.5° | 62.5° |
| O12 | C29 | C31 | H44 | 52.8° | 57.7° |
| C29 | O12 | C52 | H75 | 11.9° | 3.7° |
| C29 | C31 | C33 | C35 | 44.4° | 57.0° |
| C29 | C31 | C33 | O13 | 124.0° | 120.0° |
| C29 | C31 | C33 | H44 | 117.9° | 119.9° |
| C29 | C31 | C33 | N3 | 178.2° | 176.8° |
| C29 | C31 | O13 | H44 | 119.3° | 120.1° |
| C29 | C31 | O13 | H86 | 180.0° | 60.0° |
| C29 | C31 | C33 | H45 | 67.8° | 63.0° |
| N1 | C56 | C55 | C54 | 57.4° | 148.0° |
| N1 | C56 | C55 | H80 | 120.4° | 116.1° |
| N1 | C56 | C55 | H79 | 120.5° | 125.1° |
| N1 | C56 | C55 | C22 | 179.7° | 88.1° |
| C56 | N1 | C4 | H2 | 37.7° | 61.7° |
| C56 | N1 | C25 | H35 | 50.0° | 63.9° |
| C56 | N1 | C25 | H34 | 70.0° | 176.1° |
| C56 | N1 | C25 | H36 | 170.0° | 56.1° |
| N1 | C56 | C55 | H78 | 62.7° | 33.5° |
| N1 | C56 | H80 | H79 | 118.6° | 114.5° |
| C35 | C33 | C31 | N3 | 133.7° | 119.8° |
| C35 | C33 | C31 | H45 | 112.2° | 120.0° |
| C35 | C33 | N3 | H45 | 114.3° | 120.2° |
| C35 | C33 | C31 | O13 | 168.4° | 176.9° |
| C35 | C33 | N3 | C48 | 69.1° | 70.5° |
| C35 | C33 | N3 | C47 | 74.9° | 53.5° |
| C35 | C33 | C31 | H44 | 73.5° | 62.9° |
| C33 | C35 | H47 | H46 | 118.8° | 120.1° |
| C33 | C35 | C36 | H48 | 68.2° | 62.4° |
| C3 | C30 | N2 | C28 | 31.1° | 2.0° |
| C3 | C30 | N2 | C1 | 160.1° | 177.9° |
| C3 | C30 | C32 | H25 | 178.2° | 180.0° |
| C30 | N2 | C28 | C1 | 170.5° | 180.0° |
| C30 | N2 | C28 | C23 | 143.7° | 180.0° |
| C30 | N2 | C1 | O1 | 22.6° | 0.0° |
| C30 | N2 | C1 | O3 | 159.5° | 180.0° |
| C30 | N2 | C28 | H23 | 24.9° | 61.4° |
| C30 | N2 | C28 | H21 | 97.5° | 61.4° |
| N2 | C30 | C3 | H1 | 5.0° | 0.0° |
| N2 | C30 | C32 | H25 | 6.1° | 0.1° |
| C31 | C33 | N3 | H45 | 113.6° | 120.2° |
| C33 | C31 | O13 | H44 | 117.1° | 120.2° |
| C31 | C33 | N3 | C48 | 158.7° | 170.0° |
| C31 | C33 | N3 | C47 | 57.2° | 66.0° |
| C33 | C31 | O13 | H86 | 56.4° | 179.7° |
| C33 | C31 | C29 | H43 | 68.5° | 62.4° |
| C31 | C33 | C35 | H47 | 76.8° | 176.9° |
| C31 | C33 | C35 | H46 | 163.9° | 63.0° |
| N3 | C33 | C31 | O13 | 57.9° | 63.2° |
| C33 | N3 | C48 | C49 | 85.1° | 170.0° |
| C33 | N3 | C48 | C47 | 143.9° | 124.0° |
| N3 | C33 | C31 | H44 | 60.3° | 56.9° |
| N3 | C33 | C35 | H47 | 56.4° | 63.2° |
| N3 | C33 | C35 | H46 | 62.8° | 56.8° |
| C33 | N3 | C47 | H68 | 180.0° | 60.0° |
| C33 | N3 | C47 | H67 | 60.0° | 180.0° |
| C33 | N3 | C47 | H69 | 60.0° | 59.9° |
| C33 | N3 | C48 | H70 | 153.8° | 70.0° |
| C33 | N3 | C48 | H71 | 36.0° | 50.0° |
| O13 | C31 | C29 | H43 | 53.5° | 57.5° |
| O13 | C31 | C33 | H45 | 56.2° | 56.9° |
| C54 | C55 | C56 | C22 | 123.0° | 123.9° |
| C54 | C55 | C56 | H78 | 120.1° | 114.6° |
| C54 | C55 | C22 | H78 | 117.4° | 111.8° |
| C54 | C55 | C22 | H31 | 180.0° | 50.6° |
| C54 | C55 | C22 | H30 | 60.0° | 170.6° |
| C54 | C55 | C22 | H32 | 60.0° | 69.3° |
| C55 | C54 | H76 | H77 | 115.3° | 109.4° |
| C54 | C55 | C56 | H80 | 63.1° | 32.0° |
| C54 | C55 | C56 | H79 | 177.8° | 86.8° |
| C51 | N5 | C49 | H81 | 180.0° | 180.0° |
| N5 | C51 | C23 | H74 | 120.8° | 120.0° |
| N5 | C51 | C23 | H73 | 120.8° | 120.0° |
| C51 | N5 | C49 | C48 | 177.6° | 180.0° |
| C51 | N5 | C49 | O7 | 2.3° | 0.0° |
| N5 | C51 | C23 | C28 | 147.7° | 180.0° |
| N5 | C51 | C23 | O3 | 35.9° | 65.4° |
| N5 | C51 | C23 | H15 | 88.8° | 57.3° |
| N5 | C51 | H74 | H73 | 117.5° | 120.1° |
| C49 | N5 | C51 | C23 | 90.6° | 180.0° |
| N5 | C49 | C48 | O7 | 179.9° | 180.0° |
| N5 | C49 | C48 | N3 | 168.1° | 180.0° |
| N5 | C49 | C48 | H70 | 70.9° | 60.0° |
| N5 | C49 | C48 | H71 | 47.0° | 60.0° |
| C49 | N5 | C51 | H74 | 30.2° | 60.0° |
| C49 | N5 | C51 | H73 | 148.7° | 60.0° |
| C51 | C23 | C28 | N2 | 87.3° | 118.6° |
| C51 | C23 | C28 | O3 | 118.7° | 118.6° |
| C51 | C23 | C28 | H15 | 123.2° | 122.7° |
| C51 | C23 | O3 | C1 | 91.8° | 118.7° |
| C51 | C23 | O3 | H15 | 123.6° | 122.7° |
| C51 | C23 | C28 | H23 | 31.4° | 0.0° |
| C51 | C23 | C28 | H21 | 153.8° | 122.6° |
| C23 | C51 | N5 | H81 | 89.4° | 0.0° |
| C23 | C51 | H74 | H73 | 117.5° | 120.0° |
| C49 | C48 | N3 | H70 | 121.1° | 120.0° |
| C49 | C48 | N3 | H71 | 121.1° | 120.0° |
| C49 | C48 | N3 | C47 | 58.8° | 66.0° |
| C48 | C49 | N5 | H81 | 2.3° | 0.0° |
| C49 | C48 | H70 | H71 | 116.6° | 119.9° |
| N3 | C48 | C49 | O7 | 12.0° | 0.0° |
| C48 | N3 | C33 | H45 | 45.2° | 49.8° |
| C48 | N3 | C47 | H68 | 35.3° | 64.0° |
| C48 | N3 | C47 | H67 | 155.3° | 56.0° |
| C48 | N3 | C47 | H69 | 84.7° | 176.1° |
| N3 | C48 | H70 | H71 | 116.6° | 120.0° |
| C56 | C55 | C22 | H78 | 116.9° | 125.9° |
| C56 | C55 | C22 | H31 | 54.3° | 71.7° |
| C56 | C55 | C22 | H30 | 174.3° | 48.4° |
| C56 | C55 | C22 | H32 | 65.7° | 168.4° |
| C56 | C55 | C54 | H76 | 144.8° | 2.2° |
| C56 | C55 | C54 | H77 | 27.8° | 107.7° |
| C55 | C56 | H80 | H79 | 118.6° | 120.9° |
| O7 | C49 | N5 | H81 | 177.7° | 180.0° |
| O7 | C49 | C48 | H70 | 109.1° | 120.0° |
| O7 | C49 | C48 | H71 | 133.1° | 120.0° |
| N2 | C28 | C23 | H23 | 118.8° | 118.6° |
| N2 | C28 | C23 | H21 | 118.8° | 118.7° |
| C28 | N2 | C1 | O1 | 167.1° | 180.0° |
| C28 | N2 | C1 | O3 | 10.8° | 0.0° |
| N2 | C28 | C23 | O3 | 31.4° | 0.0° |
| N2 | C28 | H23 | H21 | 123.4° | 122.9° |
| N2 | C28 | C23 | H15 | 149.5° | 118.6° |
| C1 | N2 | C28 | C23 | 26.8° | 0.0° |
| N2 | C1 | O1 | O3 | 177.6° | 180.0° |
| N2 | C1 | O3 | C23 | 11.6° | 0.0° |
| C1 | N2 | C28 | H23 | 145.6° | 118.5° |
| C1 | N2 | C28 | H21 | 92.0° | 118.6° |
| C47 | N3 | C33 | H45 | 170.8° | 173.8° |
| N3 | C47 | H68 | H67 | 120.0° | 120.1° |
| N3 | C47 | H68 | H69 | 120.0° | 120.0° |
| N3 | C47 | H67 | H69 | 120.0° | 120.0° |
| C47 | N3 | C48 | H70 | 62.3° | 54.0° |
| C47 | N3 | C48 | H71 | 179.9° | 174.0° |
| C55 | C22 | H31 | H30 | 120.0° | 120.0° |
| C55 | C22 | H31 | H32 | 120.0° | 119.9° |
| C55 | C22 | H30 | H32 | 120.0° | 120.0° |
| C22 | C55 | C54 | H76 | 22.7° | 124.8° |
| C22 | C55 | C54 | H77 | 94.4° | 129.8° |
| C22 | C55 | C56 | H80 | 59.9° | 155.9° |
| C22 | C55 | C56 | H79 | 59.2° | 37.0° |
| C28 | C23 | O3 | C1 | 27.6° | 0.0° |
| C28 | C23 | O3 | H15 | 117.0° | 118.6° |
| C23 | C28 | H23 | H21 | 123.4° | 122.7° |
| C28 | C23 | C51 | H74 | 91.5° | 60.0° |
| C28 | C23 | C51 | H73 | 26.8° | 60.0° |
| O1 | C1 | O3 | C23 | 170.2° | 180.0° |
| C1 | O3 | C23 | H15 | 144.6° | 118.6° |
| O3 | C23 | C28 | H23 | 150.2° | 118.6° |
| O3 | C23 | C28 | H21 | 87.4° | 118.7° |
| O3 | C23 | C51 | H74 | 156.7° | 174.6° |
| O3 | C23 | C51 | H73 | 84.9° | 54.6° |
| H2 | C4 | C6 | H4 | 79.3° | 61.2° |
| H2 | C4 | C26 | H39 | 65.0° | 61.3° |
| H2 | C4 | C26 | H38 | 55.0° | 58.7° |
| H2 | C4 | C26 | H37 | 175.0° | 178.7° |
| H4 | C6 | O9 | H84 | 66.0° | 61.3° |
| H6 | C10 | C12 | H10 | 177.1° | 65.5° |
| H6 | C10 | C12 | H8 | 64.2° | 174.5° |
| H5 | C13 | C11 | H3 | 0.3° | 0.0° |
| H26 | C20 | H29 | H28 | 120.0° | 120.0° |
| H9 | C21 | H11 | H13 | 120.0° | 120.1° |
| H31 | C22 | H30 | H32 | 119.9° | 120.1° |
| H31 | C22 | C55 | H78 | 62.6° | 162.4° |
| H30 | C22 | C55 | H78 | 57.4° | 77.6° |
| H32 | C22 | C55 | H78 | 177.5° | 42.5° |
| H33 | C24 | C16 | H18 | 65.5° | 175.5° |
| H33 | C24 | C16 | H17 | 174.5° | 64.6° |
| H33 | C24 | C16 | H19 | 54.6° | 55.5° |
| H33 | C24 | C39 | H53 | 127.8° | 120.0° |
| H39 | C26 | H38 | H37 | 120.0° | 120.0° |
| H23 | C28 | C23 | H15 | 91.7° | 122.8° |
| H21 | C28 | C23 | H15 | 30.7° | 0.1° |
| H81 | N5 | C51 | H74 | 149.8° | 120.0° |
| H81 | N5 | C51 | H73 | 31.4° | 120.0° |
| H82 | O5 | C42 | H56 | 62.9° | 63.0° |
| H10 | C12 | C14 | H16 | 59.3° | 60.0° |
| H10 | C12 | C14 | H14 | 60.7° | 180.0° |
| H10 | C12 | C14 | H12 | 179.4° | 60.0° |
| H8 | C12 | C14 | H16 | 59.4° | 60.0° |
| H8 | C12 | C14 | H14 | 179.3° | 60.0° |
| H8 | C12 | C14 | H12 | 60.7° | 180.0° |
| H86 | O13 | C31 | H44 | 60.6° | 60.2° |
| H16 | C14 | H14 | H12 | 120.0° | 120.0° |
| H18 | C16 | H17 | H19 | 120.0° | 120.1° |
| H24 | C18 | H22 | H20 | 120.0° | 120.1° |
| H24 | C18 | C50 | H72 | 64.6° | 58.2° |
| H22 | C18 | C50 | H72 | 175.3° | 61.9° |
| H20 | C18 | C50 | H72 | 55.4° | 178.2° |
| H15 | C23 | C51 | H74 | 32.0° | 62.7° |
| H15 | C23 | C51 | H73 | 150.4° | 177.3° |
| H35 | C25 | H34 | H36 | 120.0° | 120.1° |
| H40 | C27 | H42 | H41 | 120.0° | 120.0° |
| H43 | C29 | C31 | H44 | 173.7° | 177.6° |
| H44 | C31 | C33 | H45 | 174.3° | 177.1° |
| H25 | C32 | C34 | H27 | 0.8° | 0.1° |
| H45 | C33 | C35 | H47 | 171.1° | 56.9° |
| H45 | C33 | C35 | H46 | 51.8° | 177.0° |
| H47 | C35 | C36 | H48 | 171.4° | 57.5° |
| H46 | C35 | C36 | H48 | 52.1° | 177.7° |
| H48 | C36 | C37 | H51 | 60.8° | 60.0° |
| H48 | C36 | C37 | H50 | 179.2° | 59.9° |
| H48 | C36 | C37 | H49 | 59.2° | 180.0° |
| H51 | C37 | H50 | H49 | 120.0° | 120.0° |
| H52 | C38 | C40 | H55 | 113.8° | 57.7° |
| H52 | C38 | C40 | H54 | 4.9° | 176.7° |
| H53 | C39 | C50 | H72 | 74.3° | 124.5° |
| H56 | C42 | C43 | H57 | 127.7° | 80.6° |
| H57 | C43 | C44 | H60 | 64.7° | 56.7° |
| H57 | C43 | C44 | H59 | 175.3° | 63.4° |
| H57 | C43 | C44 | H58 | 55.3° | 176.7° |
| H60 | C44 | H59 | H58 | 120.0° | 120.0° |
| H62 | C45 | H61 | H63 | 120.0° | 120.1° |
| H64 | C46 | H66 | H65 | 120.0° | 120.0° |
| H68 | C47 | H67 | H69 | 120.0° | 119.9° |
| H72 | C50 | C52 | H75 | 135.5° | 83.1° |
| H76 | C54 | C55 | H78 | 95.0° | 120.2° |
| H77 | C54 | C55 | H78 | 147.9° | 14.8° |
| H78 | C55 | C56 | H80 | 176.8° | 82.6° |
| H78 | C55 | C56 | H79 | 57.8° | 158.6° |
