A1AZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.48Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C16 | sing | 1.48Å | 1.50Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.40Å | 1.41Å | |
| C8 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | doub | 1.36Å | 1.47Å | Aromatic |
| C16 | N7 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C37 | sing | 1.46Å | 1.46Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O2 | sing | 1.45Å | 1.41Å | |
| O2 | C23 | sing | 1.34Å | 1.42Å | |
| C23 | O3 | doub | 1.21Å | 1.21Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C24 | C25 | sing | 1.52Å | 1.53Å | |
| C24 | N5 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.52Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | N5 | sing | 1.37Å | 1.35Å | |
| N4 | C28 | sing | 1.35Å | 1.33Å | |
| C28 | O4 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | N8 | sing | 1.47Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | O5 | sing | 1.43Å | 1.43Å | |
| C32 | N6 | sing | 1.43Å | 1.47Å | |
| N6 | C33 | sing | 1.44Å | 1.46Å | |
| N6 | C35 | sing | 1.37Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O5 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.41Å | 1.47Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | N7 | sing | 1.38Å | 1.35Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| N7 | C41 | sing | 1.46Å | 1.46Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C42 | F1 | sing | 1.40Å | 1.32Å | |
| C42 | F2 | sing | 1.40Å | 1.32Å | |
| C42 | F3 | sing | 1.40Å | 1.32Å | |
| N8 | C43 | sing | 1.35Å | 1.33Å | |
| C43 | O6 | doub | 1.21Å | 1.23Å | |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | N9 | sing | 1.47Å | 1.48Å | |
| C45 | C46 | sing | 1.54Å | 1.53Å | |
| C45 | C49 | sing | 1.55Å | 1.53Å | |
| C46 | C47 | sing | 1.54Å | 1.52Å | |
| C47 | C48 | sing | 1.54Å | 1.52Å | |
| C48 | C49 | sing | 1.55Å | 1.52Å | |
| N9 | C50 | sing | 1.48Å | 1.48Å | |
| N9 | C63 | sing | 1.49Å | 1.47Å | |
| C50 | C51 | sing | 1.54Å | 1.54Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | C55 | sing | 1.53Å | 1.53Å | |
| C52 | C63 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.55Å | 1.53Å | |
| C54 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C55 | sing | 1.48Å | 1.46Å | |
| N10 | C56 | sing | 1.35Å | 1.34Å | |
| C56 | O7 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | sing | 1.51Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | N11 | sing | 1.47Å | 1.47Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C60 | C61 | sing | 1.53Å | 1.52Å | |
| N11 | C62 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H51 | sing | 1.08Å | 1.08Å | |
| C39 | H52 | sing | 1.08Å | 1.08Å | |
| C40 | H53 | sing | 1.08Å | 1.08Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.09Å | 1.10Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C58 | H78 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C60 | H80 | sing | 1.09Å | 1.10Å | |
| C61 | H82 | sing | 1.09Å | 1.10Å | |
| C61 | H83 | sing | 1.09Å | 1.10Å | |
| C62 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | H84 | sing | 1.09Å | 1.10Å | |
| C62 | H85 | sing | 1.09Å | 1.10Å | |
| C63 | H87 | sing | 1.09Å | 1.10Å | |
| C63 | H88 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N11 | H89 | sing | 1.01Å | 1.00Å | |
| N5 | H40 | sing | 1.01Å | 1.00Å | |
| N8 | H56 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 111.2° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C2 | C3 | 110.3° | 109.4° |
| O1 | C2 | C4 | 110.9° | 109.5° |
| O1 | C2 | H4 | 110.0° | 109.4° |
| C3 | C2 | C4 | 107.7° | 109.5° |
| C3 | C2 | H4 | 108.6° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.4° |
| C2 | C4 | C5 | 123.2° | 119.7° |
| C2 | C4 | N1 | 117.7° | 119.6° |
| C4 | C2 | H4 | 109.2° | 109.5° |
| C5 | C4 | N1 | 119.1° | 120.7° |
| C4 | C5 | C6 | 118.4° | 119.0° |
| C4 | C5 | C16 | 121.7° | 120.5° |
| C4 | N1 | C8 | 121.4° | 122.0° |
| C6 | C5 | C16 | 119.9° | 120.5° |
| C5 | C6 | C7 | 118.9° | 118.2° |
| C5 | C6 | H8 | 120.6° | 120.9° |
| C5 | C16 | C17 | 122.3° | 125.2° |
| C5 | C16 | N7 | 129.0° | 125.2° |
| C6 | C7 | C8 | 120.1° | 119.1° |
| C6 | C7 | N2 | 121.4° | 120.4° |
| C7 | C6 | H8 | 120.5° | 120.9° |
| C8 | C7 | N2 | 118.2° | 120.5° |
| C7 | C8 | N1 | 122.1° | 121.0° |
| C7 | C8 | H9 | 118.9° | 119.5° |
| C7 | N2 | C9 | 117.3° | 111.0° |
| C7 | N2 | C12 | 118.8° | 111.0° |
| N1 | C8 | H9 | 118.9° | 119.5° |
| C9 | N2 | C12 | 122.5° | 110.9° |
| N2 | C9 | C10 | 110.5° | 109.4° |
| N2 | C9 | H10 | 109.2° | 109.5° |
| N2 | C9 | H11 | 109.2° | 109.5° |
| N2 | C12 | C11 | 109.8° | 109.4° |
| N2 | C12 | H16 | 109.4° | 109.5° |
| N2 | C12 | H17 | 109.4° | 109.5° |
| C9 | C10 | N3 | 111.4° | 109.4° |
| C9 | C10 | H13 | 109.0° | 109.5° |
| C9 | C10 | H12 | 109.0° | 109.5° |
| C10 | C9 | H10 | 109.2° | 109.5° |
| C10 | C9 | H11 | 109.2° | 109.5° |
| C10 | N3 | C11 | 106.1° | 110.9° |
| C10 | N3 | C13 | 108.4° | 111.0° |
| N3 | C10 | H13 | 109.0° | 109.5° |
| N3 | C10 | H12 | 109.0° | 109.5° |
| C11 | N3 | C13 | 106.1° | 111.0° |
| N3 | C11 | C12 | 111.7° | 109.4° |
| N3 | C11 | H14 | 108.9° | 109.5° |
| N3 | C11 | H15 | 108.9° | 109.6° |
| N3 | C13 | C14 | 110.2° | 117.5° |
| N3 | C13 | C15 | 112.2° | 117.5° |
| N3 | C13 | H18 | 120.7° | 115.5° |
| C12 | C11 | H14 | 108.9° | 109.5° |
| C12 | C11 | H15 | 108.9° | 109.5° |
| C11 | C12 | H16 | 109.4° | 109.5° |
| C11 | C12 | H17 | 109.4° | 109.5° |
| C14 | C13 | C15 | 59.8° | 60.0° |
| C13 | C14 | C15 | 60.0° | 60.0° |
| C14 | C13 | H18 | 119.5° | 117.5° |
| C13 | C14 | H20 | 120.0° | 117.5° |
| C13 | C14 | H19 | 120.0° | 117.5° |
| C13 | C15 | C14 | 60.2° | 60.0° |
| C15 | C13 | H18 | 119.5° | 117.5° |
| C13 | C15 | H21 | 120.0° | 117.5° |
| C13 | C15 | H22 | 120.0° | 117.4° |
| C15 | C14 | H20 | 120.0° | 117.5° |
| C15 | C14 | H19 | 120.0° | 117.5° |
| C14 | C15 | H21 | 120.0° | 117.5° |
| C14 | C15 | H22 | 120.0° | 117.5° |
| C17 | C16 | N7 | 108.7° | 109.6° |
| C16 | C17 | C18 | 127.9° | 126.5° |
| C16 | C17 | C37 | 105.3° | 106.9° |
| C16 | N7 | C38 | 111.2° | 109.7° |
| C16 | N7 | C41 | 125.6° | 125.1° |
| C18 | C17 | C37 | 126.7° | 126.6° |
| C17 | C18 | C19 | 117.1° | 109.7° |
| C17 | C18 | H24 | 107.5° | 109.5° |
| C17 | C18 | H23 | 107.5° | 109.4° |
| C17 | C37 | C36 | 132.0° | 133.4° |
| C17 | C37 | C38 | 105.4° | 106.3° |
| C18 | C19 | C20 | 111.7° | 109.5° |
| C18 | C19 | C21 | 107.2° | 109.4° |
| C18 | C19 | C22 | 110.7° | 109.5° |
| C19 | C18 | H24 | 107.5° | 109.4° |
| C19 | C18 | H23 | 107.5° | 109.4° |
| C20 | C19 | C21 | 109.8° | 109.5° |
| C20 | C19 | C22 | 108.8° | 109.5° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| C19 | C20 | H26 | 109.5° | 109.5° |
| C19 | C20 | H27 | 109.5° | 109.4° |
| C21 | C19 | C22 | 108.6° | 109.4° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| C19 | C21 | H29 | 109.5° | 109.5° |
| C19 | C21 | H30 | 109.4° | 109.5° |
| C19 | C22 | O2 | 106.7° | 109.2° |
| C19 | C22 | H32 | 110.2° | 109.5° |
| C19 | C22 | H31 | 110.2° | 109.5° |
| C22 | O2 | C23 | 118.4° | 117.1° |
| O2 | C22 | H32 | 110.2° | 109.5° |
| O2 | C22 | H31 | 110.2° | 109.5° |
| O2 | C23 | O3 | 119.2° | 119.9° |
| O2 | C23 | C24 | 115.5° | 120.2° |
| O3 | C23 | C24 | 125.3° | 119.9° |
| C23 | C24 | C25 | 106.4° | 109.7° |
| C23 | C24 | N5 | 108.7° | 109.2° |
| C23 | C24 | H33 | 109.8° | 109.1° |
| C25 | C24 | N5 | 112.7° | 109.8° |
| C24 | C25 | C26 | 110.2° | 111.9° |
| C25 | C24 | H33 | 109.2° | 109.8° |
| C24 | C25 | H34 | 109.3° | 109.0° |
| C24 | C25 | H35 | 109.3° | 109.0° |
| C24 | N5 | N4 | 109.3° | 110.5° |
| N5 | C24 | H33 | 110.0° | 109.2° |
| C24 | N5 | H40 | 109.5° | 111.0° |
| C25 | C26 | C27 | 111.0° | 111.0° |
| C26 | C25 | H34 | 109.3° | 109.0° |
| C26 | C25 | H35 | 109.3° | 109.0° |
| C25 | C26 | H37 | 109.1° | 109.2° |
| C25 | C26 | H36 | 109.1° | 109.2° |
| C26 | C27 | N4 | 107.8° | 108.5° |
| C27 | C26 | H37 | 109.1° | 109.2° |
| C27 | C26 | H36 | 109.1° | 109.2° |
| C26 | C27 | H39 | 109.9° | 109.7° |
| C26 | C27 | H38 | 109.9° | 109.6° |
| C27 | N4 | N5 | 118.0° | 119.4° |
| C27 | N4 | C28 | 122.8° | 120.5° |
| N4 | C27 | H39 | 109.9° | 109.7° |
| N4 | C27 | H38 | 109.9° | 109.6° |
| N5 | N4 | C28 | 119.1° | 120.1° |
| N4 | N5 | H40 | 109.5° | 111.0° |
| N4 | C28 | O4 | 122.4° | 120.2° |
| N4 | C28 | C29 | 117.5° | 119.7° |
| O4 | C28 | C29 | 120.1° | 120.1° |
| C28 | C29 | C30 | 109.7° | 109.8° |
| C28 | C29 | N8 | 111.7° | 109.5° |
| C28 | C29 | H41 | 109.1° | 109.5° |
| C30 | C29 | N8 | 107.8° | 109.4° |
| C29 | C30 | C31 | 114.5° | 108.9° |
| C30 | C29 | H41 | 108.7° | 109.4° |
| C29 | C30 | H42 | 108.2° | 109.6° |
| C29 | C30 | H43 | 108.2° | 109.5° |
| C29 | N8 | C43 | 122.3° | 120.0° |
| N8 | C29 | H41 | 109.8° | 109.3° |
| C29 | N8 | H56 | 118.9° | 120.0° |
| C30 | C31 | C32 | 109.4° | 109.2° |
| C30 | C31 | O5 | 109.6° | 109.3° |
| C31 | C30 | H42 | 108.2° | 109.6° |
| C31 | C30 | H43 | 108.2° | 109.6° |
| C30 | C31 | H44 | 108.9° | 109.3° |
| C32 | C31 | O5 | 109.8° | 109.4° |
| C31 | C32 | N6 | 109.0° | 111.5° |
| C32 | C31 | H44 | 109.0° | 109.9° |
| C31 | C32 | H46 | 109.6° | 109.1° |
| C31 | C32 | H45 | 109.6° | 109.1° |
| C31 | O5 | C34 | 112.0° | 113.6° |
| O5 | C31 | H44 | 110.3° | 109.7° |
| C32 | N6 | C33 | 114.7° | 115.2° |
| C32 | N6 | C35 | 116.7° | 118.6° |
| N6 | C32 | H46 | 109.6° | 109.1° |
| N6 | C32 | H45 | 109.6° | 109.1° |
| C33 | N6 | C35 | 115.3° | 118.2° |
| N6 | C33 | C34 | 107.8° | 111.7° |
| N6 | C33 | H48 | 109.9° | 109.0° |
| N6 | C33 | H47 | 109.9° | 108.9° |
| N6 | C35 | C36 | 120.7° | 120.4° |
| N6 | C35 | C40 | 119.8° | 120.0° |
| C33 | C34 | O5 | 112.6° | 109.4° |
| C34 | C33 | H48 | 109.9° | 109.1° |
| C34 | C33 | H47 | 109.9° | 109.0° |
| C33 | C34 | H50 | 108.7° | 109.5° |
| C33 | C34 | H49 | 108.7° | 109.4° |
| O5 | C34 | H50 | 108.7° | 109.5° |
| O5 | C34 | H49 | 108.7° | 109.5° |
| C36 | C35 | C40 | 119.6° | 119.6° |
| C35 | C36 | C37 | 118.8° | 119.7° |
| C35 | C36 | H51 | 120.6° | 120.1° |
| C35 | C40 | C39 | 122.1° | 121.0° |
| C35 | C40 | H53 | 119.0° | 119.5° |
| C36 | C37 | C38 | 122.6° | 120.2° |
| C37 | C36 | H51 | 120.6° | 120.1° |
| C37 | C38 | C39 | 116.8° | 119.3° |
| C37 | C38 | N7 | 109.4° | 107.4° |
| C39 | C38 | N7 | 133.8° | 133.3° |
| C38 | C39 | C40 | 120.2° | 120.1° |
| C38 | C39 | H52 | 119.9° | 119.9° |
| C38 | N7 | C41 | 122.8° | 125.1° |
| C40 | C39 | H52 | 119.9° | 120.0° |
| C39 | C40 | H53 | 119.0° | 119.5° |
| N7 | C41 | C42 | 105.7° | 109.5° |
| N7 | C41 | H55 | 110.4° | 109.5° |
| N7 | C41 | H54 | 110.4° | 109.6° |
| C41 | C42 | F1 | 112.3° | 109.5° |
| C41 | C42 | F2 | 112.9° | 109.5° |
| C41 | C42 | F3 | 110.5° | 109.4° |
| C42 | C41 | H55 | 110.4° | 109.4° |
| C42 | C41 | H54 | 110.4° | 109.4° |
| F1 | C42 | F2 | 106.8° | 109.5° |
| F1 | C42 | F3 | 106.6° | 109.5° |
| F2 | C42 | F3 | 107.5° | 109.5° |
| N8 | C43 | O6 | 123.2° | 120.0° |
| N8 | C43 | C44 | 114.4° | 120.0° |
| C43 | N8 | H56 | 118.8° | 120.0° |
| O6 | C43 | C44 | 122.5° | 120.0° |
| C43 | C44 | C45 | 112.0° | 109.5° |
| C43 | C44 | N9 | 113.5° | 109.5° |
| C43 | C44 | H57 | 107.0° | 109.5° |
| C45 | C44 | N9 | 110.0° | 109.5° |
| C44 | C45 | C46 | 111.0° | 110.5° |
| C44 | C45 | C49 | 108.9° | 110.5° |
| C45 | C44 | H57 | 106.8° | 109.5° |
| C44 | C45 | H58 | 110.0° | 110.5° |
| C44 | N9 | C50 | 116.6° | 111.0° |
| C44 | N9 | C63 | 113.9° | 111.0° |
| N9 | C44 | H57 | 107.3° | 109.4° |
| C46 | C45 | C49 | 107.0° | 104.2° |
| C45 | C46 | C47 | 106.7° | 106.6° |
| C46 | C45 | H58 | 110.0° | 110.4° |
| C45 | C46 | H60 | 110.2° | 110.0° |
| C45 | C46 | H59 | 110.2° | 110.1° |
| C45 | C49 | C48 | 107.8° | 102.7° |
| C49 | C45 | H58 | 109.9° | 110.6° |
| C45 | C49 | H65 | 109.9° | 110.8° |
| C45 | C49 | H66 | 109.9° | 110.7° |
| C46 | C47 | C48 | 106.6° | 106.6° |
| C47 | C46 | H60 | 110.2° | 110.0° |
| C47 | C46 | H59 | 110.2° | 110.0° |
| C46 | C47 | H62 | 110.2° | 110.1° |
| C46 | C47 | H61 | 110.2° | 110.0° |
| C47 | C48 | C49 | 106.7° | 104.2° |
| C48 | C47 | H62 | 110.2° | 110.1° |
| C48 | C47 | H61 | 110.2° | 110.0° |
| C47 | C48 | H64 | 110.2° | 110.5° |
| C47 | C48 | H63 | 110.2° | 110.5° |
| C49 | C48 | H64 | 110.2° | 110.5° |
| C49 | C48 | H63 | 110.1° | 110.5° |
| C48 | C49 | H65 | 109.9° | 110.8° |
| C48 | C49 | H66 | 109.9° | 110.7° |
| C50 | N9 | C63 | 105.4° | 106.1° |
| N9 | C50 | C51 | 102.5° | 107.0° |
| N9 | C50 | H68 | 111.2° | 110.0° |
| N9 | C50 | H67 | 111.2° | 110.1° |
| N9 | C63 | C52 | 100.8° | 103.1° |
| N9 | C63 | H87 | 111.6° | 110.7° |
| N9 | C63 | H88 | 111.6° | 110.8° |
| C50 | C51 | C52 | 106.3° | 104.7° |
| C51 | C50 | H68 | 111.2° | 109.9° |
| C51 | C50 | H67 | 111.2° | 109.9° |
| C50 | C51 | H70 | 110.3° | 110.4° |
| C50 | C51 | H69 | 110.3° | 110.4° |
| C51 | C52 | C53 | 114.4° | 112.2° |
| C51 | C52 | C55 | 111.6° | 112.4° |
| C51 | C52 | C63 | 103.0° | 104.8° |
| C52 | C51 | H70 | 110.3° | 110.4° |
| C52 | C51 | H69 | 110.3° | 110.4° |
| C53 | C52 | C55 | 104.4° | 103.6° |
| C53 | C52 | C63 | 113.1° | 111.9° |
| C52 | C53 | C54 | 104.1° | 102.7° |
| C52 | C53 | H72 | 110.8° | 110.8° |
| C52 | C53 | H71 | 110.8° | 110.7° |
| C55 | C52 | C63 | 110.4° | 112.1° |
| C52 | C55 | N10 | 104.1° | 104.7° |
| C52 | C55 | H76 | 110.8° | 110.4° |
| C52 | C55 | H75 | 110.8° | 110.4° |
| C52 | C63 | H87 | 111.6° | 110.7° |
| C52 | C63 | H88 | 111.6° | 110.7° |
| C53 | C54 | N10 | 102.1° | 107.4° |
| C54 | C53 | H72 | 110.8° | 110.8° |
| C54 | C53 | H71 | 110.8° | 110.8° |
| C53 | C54 | H73 | 111.3° | 109.8° |
| C53 | C54 | H74 | 111.3° | 109.9° |
| C54 | N10 | C55 | 112.7° | 108.8° |
| C54 | N10 | C56 | 126.7° | 125.6° |
| N10 | C54 | H73 | 111.3° | 109.9° |
| N10 | C54 | H74 | 111.3° | 109.9° |
| C55 | N10 | C56 | 120.6° | 125.6° |
| N10 | C55 | H76 | 110.8° | 110.4° |
| N10 | C55 | H75 | 110.8° | 110.5° |
| N10 | C56 | O7 | 120.2° | 120.0° |
| N10 | C56 | C57 | 119.0° | 120.0° |
| O7 | C56 | C57 | 120.8° | 120.0° |
| C56 | C57 | C58 | 112.9° | 109.5° |
| C56 | C57 | N11 | 109.9° | 109.5° |
| C56 | C57 | H77 | 109.0° | 109.5° |
| C58 | C57 | N11 | 106.8° | 109.5° |
| C57 | C58 | C59 | 110.8° | 109.5° |
| C58 | C57 | H77 | 108.7° | 109.4° |
| C57 | C58 | H78 | 109.1° | 109.5° |
| C57 | C58 | H581 | 109.1° | 109.5° |
| C57 | N11 | C62 | 109.1° | 111.0° |
| N11 | C57 | H77 | 109.5° | 109.5° |
| C57 | N11 | H89 | 109.6° | 111.0° |
| C58 | C59 | C60 | 110.0° | 117.5° |
| C58 | C59 | C61 | 110.4° | 117.5° |
| C59 | C58 | H78 | 109.2° | 109.5° |
| C59 | C58 | H581 | 109.1° | 109.5° |
| C58 | C59 | H79 | 120.6° | 115.5° |
| C60 | C59 | C61 | 60.0° | 60.0° |
| C59 | C60 | C61 | 60.0° | 60.0° |
| C60 | C59 | H79 | 120.6° | 117.5° |
| C59 | C60 | H81 | 120.0° | 117.5° |
| C59 | C60 | H80 | 120.0° | 117.5° |
| C59 | C61 | C60 | 60.0° | 60.0° |
| C61 | C59 | H79 | 120.5° | 117.5° |
| C59 | C61 | H82 | 120.0° | 117.5° |
| C59 | C61 | H83 | 120.0° | 117.5° |
| C61 | C60 | H81 | 120.0° | 117.5° |
| C61 | C60 | H80 | 120.0° | 117.5° |
| C60 | C61 | H82 | 120.0° | 117.5° |
| C60 | C61 | H83 | 120.0° | 117.5° |
| N11 | C62 | H86 | 109.5° | 109.4° |
| N11 | C62 | H84 | 109.5° | 109.5° |
| N11 | C62 | H85 | 109.4° | 109.5° |
| C62 | N11 | H89 | 109.5° | 111.0° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H20 | C14 | H19 | 109.5° | 115.5° |
| H21 | C15 | H22 | 109.5° | 115.6° |
| H24 | C18 | H23 | 109.5° | 109.3° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.4° | 109.4° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H28 | C21 | H30 | 109.5° | 109.4° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H32 | C22 | H31 | 109.5° | 109.6° |
| H34 | C25 | H35 | 109.5° | 108.9° |
| H37 | C26 | H36 | 109.5° | 109.1° |
| H39 | C27 | H38 | 109.4° | 109.8° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.4° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H42 | C30 | H43 | 109.5° | 109.6° |
| H46 | C32 | H45 | 109.5° | 109.0° |
| H48 | C33 | H47 | 109.5° | 109.0° |
| H50 | C34 | H49 | 109.4° | 109.5° |
| H55 | C41 | H54 | 109.5° | 109.4° |
| H60 | C46 | H59 | 109.5° | 110.1° |
| H62 | C47 | H61 | 109.5° | 110.0° |
| H64 | C48 | H63 | 109.5° | 110.5° |
| H65 | C49 | H66 | 109.5° | 110.8° |
| H68 | C50 | H67 | 109.4° | 109.9° |
| H70 | C51 | H69 | 109.4° | 110.4° |
| H72 | C53 | H71 | 109.5° | 110.8° |
| H73 | C54 | H74 | 109.4° | 109.9° |
| H76 | C55 | H75 | 109.5° | 110.4° |
| H78 | C58 | H581 | 109.5° | 109.5° |
| H81 | C60 | H80 | 109.5° | 115.6° |
| H82 | C61 | H83 | 109.5° | 115.6° |
| H86 | C62 | H84 | 109.4° | 109.5° |
| H86 | C62 | H85 | 109.5° | 109.4° |
| H84 | C62 | H85 | 109.5° | 109.5° |
| H87 | C63 | H88 | 109.5° | 110.6° |
| H10 | C9 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 76.1° | 94.6° |
| C1 | O1 | C2 | C4 | 164.7° | 145.4° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 43.7° | 25.4° |
| O1 | C2 | C3 | C4 | 121.1° | 120.0° |
| O1 | C2 | C3 | H4 | 120.7° | 119.9° |
| O1 | C2 | C4 | H4 | 121.4° | 120.0° |
| O1 | C2 | C4 | C5 | 110.0° | 139.5° |
| O1 | C2 | C4 | N1 | 71.1° | 40.8° |
| C2 | O1 | C1 | H1 | 180.0° | 65.0° |
| C2 | O1 | C1 | H3 | 60.0° | 55.0° |
| C2 | O1 | C1 | H2 | 60.0° | 175.0° |
| O1 | C2 | C3 | H5 | 180.0° | 175.1° |
| O1 | C2 | C3 | H6 | 60.0° | 55.0° |
| O1 | C2 | C3 | H7 | 60.0° | 65.0° |
| C3 | C2 | C4 | H4 | 117.8° | 120.0° |
| C3 | C2 | C4 | C5 | 129.2° | 100.5° |
| C3 | C2 | C4 | N1 | 49.7° | 79.2° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 119.9° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C4 | C5 | N1 | 178.9° | 179.7° |
| C2 | C4 | C5 | C6 | 178.0° | 180.0° |
| C2 | C4 | C5 | C16 | 0.2° | 0.0° |
| C2 | C4 | N1 | C8 | 177.9° | 179.8° |
| C4 | C2 | C3 | H5 | 58.8° | 64.9° |
| C4 | C2 | C3 | H6 | 178.8° | 175.0° |
| C4 | C2 | C3 | H7 | 61.1° | 55.0° |
| C4 | C5 | C6 | C16 | 178.2° | 180.0° |
| C4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C5 | C4 | N1 | C8 | 1.1° | 0.5° |
| C4 | C5 | C16 | C17 | 120.0° | 84.3° |
| C4 | C5 | C16 | N7 | 58.6° | 96.0° |
| C5 | C4 | C2 | H4 | 11.4° | 19.5° |
| C4 | C5 | C6 | H8 | 178.6° | 180.0° |
| N1 | C4 | C5 | C6 | 0.8° | 0.3° |
| N1 | C4 | C5 | C16 | 179.0° | 179.7° |
| C4 | N1 | C8 | C7 | 2.0° | 0.5° |
| N1 | C4 | C2 | H4 | 167.5° | 160.8° |
| C4 | N1 | C8 | H9 | 178.1° | 179.7° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.3° | 0.0° |
| C5 | C6 | C7 | N2 | 175.8° | 180.0° |
| C6 | C5 | C16 | C17 | 58.2° | 95.7° |
| C6 | C5 | C16 | N7 | 123.2° | 84.0° |
| C16 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | C16 | C17 | N7 | 178.8° | 179.8° |
| C5 | C16 | C17 | C18 | 2.0° | 1.2° |
| C5 | C16 | C17 | C37 | 179.6° | 178.9° |
| C5 | C16 | N7 | C38 | 179.4° | 179.8° |
| C5 | C16 | N7 | C41 | 5.8° | 0.3° |
| C16 | C5 | C6 | H8 | 0.3° | 0.0° |
| C6 | C7 | C8 | N2 | 173.8° | 180.0° |
| C6 | C7 | C8 | N1 | 2.6° | 0.3° |
| C6 | C7 | N2 | C9 | 38.0° | 180.0° |
| C6 | C7 | N2 | C12 | 155.5° | 56.2° |
| C6 | C7 | C8 | H9 | 177.5° | 180.0° |
| C7 | C8 | N1 | H9 | 180.0° | 179.7° |
| C8 | C7 | N2 | C9 | 135.6° | 0.0° |
| C8 | C7 | N2 | C12 | 30.8° | 123.8° |
| C8 | C7 | C6 | H8 | 177.7° | 180.0° |
| N2 | C7 | C8 | N1 | 176.3° | 179.7° |
| C7 | N2 | C9 | C12 | 166.0° | 123.9° |
| C7 | N2 | C9 | C10 | 159.9° | 176.8° |
| C7 | N2 | C12 | C11 | 159.2° | 176.9° |
| C7 | N2 | C12 | H16 | 80.7° | 56.9° |
| C7 | N2 | C12 | H17 | 39.2° | 63.2° |
| N2 | C7 | C6 | H8 | 4.2° | 0.1° |
| N2 | C7 | C8 | H9 | 3.7° | 0.0° |
| C7 | N2 | C9 | H10 | 39.7° | 63.2° |
| C7 | N2 | C9 | H11 | 80.0° | 56.9° |
| N2 | C9 | C10 | H10 | 120.2° | 120.0° |
| N2 | C9 | C10 | H11 | 120.2° | 120.0° |
| N2 | C9 | C10 | N3 | 48.1° | 58.4° |
| C9 | N2 | C12 | C11 | 35.1° | 59.3° |
| N2 | C9 | C10 | H13 | 72.2° | 61.5° |
| N2 | C9 | C10 | H12 | 168.4° | 178.4° |
| C9 | N2 | C12 | H16 | 85.0° | 179.3° |
| C9 | N2 | C12 | H17 | 155.1° | 60.6° |
| N2 | C9 | H10 | H11 | 119.5° | 120.0° |
| C12 | N2 | C9 | C10 | 34.2° | 59.3° |
| N2 | C12 | C11 | N3 | 50.6° | 58.4° |
| N2 | C12 | C11 | H16 | 120.1° | 120.0° |
| N2 | C12 | C11 | H17 | 120.1° | 120.0° |
| N2 | C12 | C11 | H14 | 69.7° | 178.4° |
| N2 | C12 | C11 | H15 | 171.0° | 61.6° |
| N2 | C12 | H16 | H17 | 119.9° | 120.1° |
| C12 | N2 | C9 | H10 | 154.3° | 60.7° |
| C12 | N2 | C9 | H11 | 86.0° | 179.3° |
| C9 | C10 | N3 | H13 | 120.3° | 120.0° |
| C9 | C10 | N3 | H12 | 120.3° | 120.0° |
| C9 | C10 | N3 | C11 | 65.5° | 59.3° |
| C9 | C10 | N3 | C13 | 179.1° | 176.8° |
| C9 | C10 | H13 | H12 | 119.1° | 120.1° |
| C10 | C9 | H10 | H11 | 119.5° | 120.0° |
| C10 | N3 | C11 | C13 | 115.2° | 123.9° |
| C10 | N3 | C11 | C12 | 67.1° | 59.3° |
| C10 | N3 | C13 | C14 | 156.2° | 180.0° |
| C10 | N3 | C13 | C15 | 91.6° | 111.4° |
| N3 | C10 | H13 | H12 | 119.1° | 120.0° |
| C10 | N3 | C11 | H14 | 53.3° | 179.3° |
| C10 | N3 | C11 | H15 | 172.6° | 60.6° |
| C10 | N3 | C13 | H18 | 57.8° | 34.3° |
| N3 | C10 | C9 | H10 | 168.3° | 61.6° |
| N3 | C10 | C9 | H11 | 72.0° | 178.4° |
| N3 | C11 | C12 | H14 | 120.3° | 120.0° |
| N3 | C11 | C12 | H15 | 120.3° | 120.0° |
| C11 | N3 | C13 | C14 | 90.1° | 56.2° |
| C11 | N3 | C13 | C15 | 154.7° | 124.8° |
| C11 | N3 | C10 | H13 | 54.8° | 60.6° |
| C11 | N3 | C10 | H12 | 174.2° | 179.3° |
| N3 | C11 | H14 | H15 | 118.9° | 120.1° |
| N3 | C11 | C12 | H16 | 69.4° | 178.4° |
| N3 | C11 | C12 | H17 | 170.7° | 61.6° |
| C11 | N3 | C13 | H18 | 55.8° | 89.5° |
| C13 | N3 | C11 | C12 | 177.7° | 176.8° |
| N3 | C13 | C14 | C15 | 104.6° | 107.5° |
| N3 | C13 | C14 | H18 | 146.4° | 145.0° |
| N3 | C13 | C15 | H18 | 149.9° | 145.0° |
| C13 | N3 | C10 | H13 | 58.8° | 63.2° |
| C13 | N3 | C10 | H12 | 60.6° | 56.8° |
| C13 | N3 | C11 | H14 | 62.0° | 56.9° |
| C13 | N3 | C11 | H15 | 57.3° | 63.2° |
| N3 | C13 | C14 | H20 | 4.9° | 0.0° |
| N3 | C13 | C14 | H19 | 146.0° | 145.0° |
| N3 | C13 | C15 | H21 | 149.3° | 145.0° |
| N3 | C13 | C15 | H22 | 8.3° | 0.0° |
| C12 | C11 | H14 | H15 | 119.0° | 120.0° |
| C11 | C12 | H16 | H17 | 119.8° | 120.0° |
| C14 | C13 | C15 | H18 | 109.0° | 107.5° |
| C13 | C14 | C15 | H20 | 109.5° | 107.5° |
| C13 | C14 | C15 | H19 | 109.5° | 107.5° |
| C13 | C14 | H20 | H19 | 144.7° | 145.6° |
| C14 | C13 | C15 | H21 | 109.5° | 107.5° |
| C14 | C13 | C15 | H22 | 109.5° | 107.5° |
| C13 | C15 | H21 | H22 | 144.7° | 145.6° |
| C15 | C14 | H20 | H19 | 144.7° | 145.7° |
| C14 | C15 | H21 | H22 | 144.6° | 145.8° |
| C16 | C17 | C18 | C37 | 177.1° | 179.9° |
| C16 | C17 | C18 | C19 | 90.7° | 97.0° |
| C16 | C17 | C37 | C36 | 179.5° | 178.5° |
| C16 | C17 | C37 | C38 | 0.7° | 1.4° |
| C17 | C16 | N7 | C38 | 1.9° | 0.0° |
| C17 | C16 | N7 | C41 | 175.5° | 180.0° |
| C16 | C17 | C18 | H24 | 30.4° | 23.2° |
| C16 | C17 | C18 | H23 | 148.2° | 143.0° |
| N7 | C16 | C17 | C18 | 179.2° | 179.0° |
| N7 | C16 | C17 | C37 | 1.5° | 0.9° |
| C16 | N7 | C38 | C37 | 1.5° | 1.0° |
| C16 | N7 | C38 | C39 | 179.3° | 179.5° |
| C16 | N7 | C38 | C41 | 173.8° | 179.9° |
| C16 | N7 | C41 | C42 | 88.0° | 95.9° |
| C16 | N7 | C41 | H55 | 31.5° | 24.1° |
| C16 | N7 | C41 | H54 | 152.6° | 144.2° |
| C17 | C18 | C19 | H24 | 121.1° | 120.1° |
| C17 | C18 | C19 | H23 | 121.1° | 120.1° |
| C17 | C18 | C19 | C20 | 55.6° | 52.4° |
| C17 | C18 | C19 | C21 | 175.9° | 67.6° |
| C17 | C18 | C19 | C22 | 65.8° | 172.5° |
| C18 | C17 | C37 | C36 | 1.8° | 1.6° |
| C18 | C17 | C37 | C38 | 178.3° | 178.5° |
| C17 | C18 | H24 | H23 | 116.5° | 119.9° |
| C37 | C17 | C18 | C19 | 92.2° | 83.2° |
| C17 | C37 | C36 | C35 | 179.7° | 179.8° |
| C17 | C37 | C36 | C38 | 179.8° | 179.9° |
| C17 | C37 | C38 | C39 | 179.8° | 178.9° |
| C17 | C37 | C38 | N7 | 0.4° | 1.4° |
| C37 | C17 | C18 | H24 | 146.7° | 156.7° |
| C37 | C17 | C18 | H23 | 28.9° | 36.9° |
| C17 | C37 | C36 | H51 | 0.3° | 0.3° |
| C18 | C19 | C20 | C21 | 118.8° | 119.9° |
| C18 | C19 | C20 | C22 | 122.5° | 120.1° |
| C18 | C19 | C21 | C22 | 119.6° | 120.0° |
| C18 | C19 | C22 | O2 | 63.6° | 75.0° |
| C19 | C18 | H24 | H23 | 116.5° | 119.8° |
| C18 | C19 | C20 | H25 | 180.0° | 65.2° |
| C18 | C19 | C20 | H26 | 60.0° | 174.7° |
| C18 | C19 | C20 | H27 | 60.0° | 54.8° |
| C18 | C19 | C21 | H28 | 180.0° | 54.5° |
| C18 | C19 | C21 | H29 | 60.0° | 174.5° |
| C18 | C19 | C21 | H30 | 60.0° | 65.4° |
| C18 | C19 | C22 | H32 | 56.0° | 165.1° |
| C18 | C19 | C22 | H31 | 176.8° | 44.8° |
| C20 | C19 | C21 | C22 | 118.8° | 120.0° |
| C20 | C19 | C22 | O2 | 173.3° | 45.1° |
| C20 | C19 | C18 | H24 | 65.5° | 172.5° |
| C20 | C19 | C18 | H23 | 176.7° | 67.7° |
| C19 | C20 | H25 | H26 | 120.0° | 120.0° |
| C19 | C20 | H25 | H27 | 120.0° | 120.0° |
| C19 | C20 | H26 | H27 | 120.0° | 119.9° |
| C20 | C19 | C21 | H28 | 58.4° | 174.5° |
| C20 | C19 | C21 | H29 | 61.6° | 65.5° |
| C20 | C19 | C21 | H30 | 178.5° | 54.5° |
| C20 | C19 | C22 | H32 | 67.2° | 74.8° |
| C20 | C19 | C22 | H31 | 53.7° | 164.9° |
| C21 | C19 | C22 | O2 | 53.8° | 165.0° |
| C21 | C19 | C18 | H24 | 54.8° | 52.6° |
| C21 | C19 | C18 | H23 | 63.0° | 172.4° |
| C21 | C19 | C20 | H25 | 61.2° | 54.7° |
| C21 | C19 | C20 | H26 | 178.7° | 65.3° |
| C21 | C19 | C20 | H27 | 58.8° | 174.8° |
| C19 | C21 | H28 | H29 | 120.0° | 120.0° |
| C19 | C21 | H28 | H30 | 120.0° | 120.0° |
| C19 | C21 | H29 | H30 | 120.0° | 120.0° |
| C21 | C19 | C22 | H32 | 173.3° | 45.1° |
| C21 | C19 | C22 | H31 | 65.8° | 75.1° |
| C19 | C22 | O2 | H32 | 119.6° | 119.9° |
| C19 | C22 | O2 | H31 | 119.6° | 119.9° |
| C19 | C22 | O2 | C23 | 172.5° | 177.7° |
| C22 | C19 | C18 | H24 | 173.1° | 67.4° |
| C22 | C19 | C18 | H23 | 55.3° | 52.4° |
| C22 | C19 | C20 | H25 | 57.5° | 174.7° |
| C22 | C19 | C20 | H26 | 62.5° | 54.6° |
| C22 | C19 | C20 | H27 | 177.5° | 65.3° |
| C22 | C19 | C21 | H28 | 60.4° | 65.5° |
| C22 | C19 | C21 | H29 | 179.6° | 54.5° |
| C22 | C19 | C21 | H30 | 59.6° | 174.5° |
| C19 | C22 | H32 | H31 | 121.3° | 120.2° |
| C22 | O2 | C23 | O3 | 8.9° | 0.3° |
| C22 | O2 | C23 | C24 | 171.1° | 179.7° |
| O2 | C22 | H32 | H31 | 121.3° | 120.1° |
| O2 | C23 | O3 | C24 | 179.9° | 179.9° |
| O2 | C23 | C24 | C25 | 68.0° | 153.3° |
| O2 | C23 | C24 | N5 | 170.4° | 32.9° |
| C23 | O2 | C22 | H32 | 68.0° | 57.8° |
| C23 | O2 | C22 | H31 | 52.9° | 62.4° |
| O2 | C23 | C24 | H33 | 50.1° | 86.4° |
| O3 | C23 | C24 | C25 | 112.1° | 26.8° |
| O3 | C23 | C24 | N5 | 9.5° | 147.1° |
| O3 | C23 | C24 | H33 | 129.9° | 93.5° |
| C23 | C24 | C25 | N5 | 119.0° | 120.0° |
| C23 | C24 | C25 | H33 | 118.4° | 119.9° |
| C23 | C24 | N5 | H33 | 120.2° | 119.3° |
| C23 | C24 | C25 | C26 | 170.4° | 154.6° |
| C23 | C24 | N5 | N4 | 172.1° | 174.4° |
| C23 | C24 | C25 | H34 | 50.3° | 34.0° |
| C23 | C24 | C25 | H35 | 69.5° | 84.8° |
| C23 | C24 | N5 | H40 | 67.9° | 50.8° |
| C25 | C24 | N5 | H33 | 122.1° | 120.5° |
| C24 | C25 | C26 | H34 | 120.1° | 120.7° |
| C24 | C25 | C26 | H35 | 120.1° | 120.6° |
| C24 | C25 | C26 | C27 | 50.4° | 24.3° |
| C25 | C24 | N5 | N4 | 54.4° | 65.3° |
| C24 | C25 | H34 | H35 | 119.7° | 118.9° |
| C24 | C25 | C26 | H37 | 170.6° | 96.0° |
| C24 | C25 | C26 | H36 | 69.9° | 144.8° |
| C25 | C24 | N5 | H40 | 174.4° | 171.1° |
| N5 | C24 | C25 | C26 | 51.4° | 34.6° |
| C24 | N5 | N4 | C27 | 60.6° | 31.2° |
| C24 | N5 | N4 | H40 | 120.0° | 123.6° |
| C24 | N5 | N4 | C28 | 122.1° | 148.6° |
| N5 | C24 | C25 | H34 | 68.7° | 86.0° |
| N5 | C24 | C25 | H35 | 171.5° | 155.2° |
| C25 | C26 | C27 | H37 | 120.2° | 120.4° |
| C25 | C26 | C27 | H36 | 120.2° | 120.4° |
| C25 | C26 | C27 | N4 | 51.4° | 57.1° |
| C26 | C25 | C24 | H33 | 71.1° | 85.5° |
| C26 | C25 | H34 | H35 | 119.7° | 118.8° |
| C25 | C26 | H37 | H36 | 119.3° | 119.2° |
| C25 | C26 | C27 | H39 | 68.3° | 176.9° |
| C25 | C26 | C27 | H38 | 171.2° | 62.6° |
| C26 | C27 | N4 | H39 | 119.8° | 119.8° |
| C26 | C27 | N4 | H38 | 119.8° | 119.6° |
| C26 | C27 | N4 | N5 | 59.7° | 29.3° |
| C26 | C27 | N4 | C28 | 123.2° | 150.8° |
| C27 | C26 | C25 | H34 | 69.7° | 145.0° |
| C27 | C26 | C25 | H35 | 170.5° | 96.3° |
| C27 | C26 | H37 | H36 | 119.3° | 119.3° |
| C26 | C27 | H39 | H38 | 120.8° | 120.5° |
| C27 | N4 | N5 | C28 | 177.2° | 179.9° |
| C27 | N4 | C28 | O4 | 1.6° | 0.6° |
| C27 | N4 | C28 | C29 | 178.3° | 179.4° |
| N4 | C27 | C26 | H37 | 171.6° | 63.3° |
| N4 | C27 | C26 | H36 | 68.8° | 177.5° |
| N4 | C27 | H39 | H38 | 120.7° | 120.5° |
| C27 | N4 | N5 | H40 | 179.4° | 154.9° |
| N5 | N4 | C28 | O4 | 178.6° | 179.3° |
| N5 | N4 | C28 | C29 | 1.2° | 0.7° |
| N4 | N5 | C24 | H33 | 67.7° | 55.1° |
| N5 | N4 | C27 | H39 | 60.1° | 149.1° |
| N5 | N4 | C27 | H38 | 179.4° | 90.4° |
| N4 | C28 | O4 | C29 | 179.8° | 180.0° |
| N4 | C28 | C29 | C30 | 86.5° | 166.6° |
| N4 | C28 | C29 | N8 | 154.0° | 46.5° |
| C28 | N4 | C27 | H39 | 117.0° | 31.1° |
| C28 | N4 | C27 | H38 | 3.5° | 89.5° |
| N4 | C28 | C29 | H41 | 32.4° | 73.3° |
| C28 | N4 | N5 | H40 | 2.2° | 25.0° |
| O4 | C28 | C29 | C30 | 93.7° | 13.4° |
| O4 | C28 | C29 | N8 | 25.8° | 133.5° |
| O4 | C28 | C29 | H41 | 147.4° | 106.7° |
| C28 | C29 | C30 | N8 | 121.8° | 120.1° |
| C28 | C29 | C30 | H41 | 119.2° | 120.1° |
| C28 | C29 | N8 | H41 | 121.2° | 119.9° |
| C28 | C29 | C30 | C31 | 154.2° | 158.9° |
| C28 | C29 | N8 | C43 | 107.6° | 54.2° |
| C28 | C29 | C30 | H42 | 85.1° | 81.2° |
| C28 | C29 | C30 | H43 | 33.5° | 39.1° |
| C28 | C29 | N8 | H56 | 72.4° | 125.8° |
| C30 | C29 | N8 | H41 | 118.3° | 119.8° |
| C29 | C30 | C31 | H42 | 120.8° | 119.9° |
| C29 | C30 | C31 | H43 | 120.7° | 119.8° |
| C29 | C30 | C31 | C32 | 101.7° | 19.4° |
| C29 | C30 | C31 | O5 | 18.7° | 139.1° |
| C30 | C29 | N8 | C43 | 131.8° | 66.1° |
| C29 | C30 | H42 | H43 | 117.7° | 120.2° |
| C29 | C30 | C31 | H44 | 139.3° | 100.9° |
| C30 | C29 | N8 | H56 | 48.2° | 113.9° |
| N8 | C29 | C30 | C31 | 84.0° | 81.0° |
| C29 | N8 | C43 | H56 | 180.0° | 180.0° |
| C29 | N8 | C43 | O6 | 1.3° | 1.2° |
| C29 | N8 | C43 | C44 | 178.7° | 178.8° |
| N8 | C29 | C30 | H42 | 36.8° | 38.9° |
| N8 | C29 | C30 | H43 | 155.3° | 159.2° |
| C30 | C31 | C32 | O5 | 120.3° | 119.6° |
| C30 | C31 | C32 | H44 | 118.9° | 119.9° |
| C30 | C31 | O5 | H44 | 119.8° | 119.8° |
| C30 | C31 | C32 | N6 | 176.1° | 172.0° |
| C30 | C31 | O5 | C34 | 179.5° | 178.4° |
| C31 | C30 | C29 | H41 | 35.0° | 38.8° |
| C31 | C30 | H42 | H43 | 117.7° | 120.3° |
| C30 | C31 | C32 | H46 | 63.9° | 67.4° |
| C30 | C31 | C32 | H45 | 56.2° | 51.5° |
| C32 | C31 | O5 | H44 | 120.0° | 120.6° |
| C31 | C32 | N6 | H46 | 120.0° | 120.5° |
| C31 | C32 | N6 | H45 | 119.9° | 120.5° |
| C31 | C32 | N6 | C33 | 55.4° | 50.0° |
| C31 | C32 | N6 | C35 | 165.3° | 161.8° |
| C32 | C31 | O5 | C34 | 59.3° | 58.9° |
| C32 | C31 | C30 | H42 | 137.5° | 100.5° |
| C32 | C31 | C30 | H43 | 19.0° | 139.2° |
| C31 | C32 | H46 | H45 | 120.2° | 119.0° |
| O5 | C31 | C32 | N6 | 55.9° | 52.4° |
| C31 | O5 | C34 | C33 | 59.2° | 58.6° |
| O5 | C31 | C30 | H42 | 102.1° | 19.2° |
| O5 | C31 | C30 | H43 | 139.4° | 101.1° |
| O5 | C31 | C32 | H46 | 175.8° | 172.9° |
| O5 | C31 | C32 | H45 | 64.1° | 68.1° |
| C31 | O5 | C34 | H50 | 61.3° | 61.3° |
| C31 | O5 | C34 | H49 | 179.6° | 178.6° |
| C32 | N6 | C33 | C35 | 139.9° | 148.4° |
| C32 | N6 | C33 | C34 | 53.1° | 49.8° |
| C32 | N6 | C35 | C36 | 10.1° | 1.1° |
| C32 | N6 | C35 | C40 | 169.7° | 178.2° |
| N6 | C32 | C31 | H44 | 64.9° | 68.1° |
| N6 | C32 | H46 | H45 | 120.2° | 119.0° |
| C32 | N6 | C33 | H48 | 172.8° | 70.8° |
| C32 | N6 | C33 | H47 | 66.7° | 170.3° |
| N6 | C33 | C34 | H48 | 119.8° | 120.6° |
| N6 | C33 | C34 | H47 | 119.8° | 120.5° |
| N6 | C33 | C34 | O5 | 53.5° | 51.9° |
| C33 | N6 | C35 | C36 | 129.0° | 148.4° |
| C33 | N6 | C35 | C40 | 51.2° | 30.9° |
| C33 | N6 | C32 | H46 | 175.3° | 170.5° |
| C33 | N6 | C32 | H45 | 64.6° | 70.5° |
| N6 | C33 | H48 | H47 | 120.7° | 118.8° |
| N6 | C33 | C34 | H50 | 67.0° | 68.1° |
| N6 | C33 | C34 | H49 | 174.0° | 171.9° |
| C35 | N6 | C33 | C34 | 167.0° | 161.8° |
| N6 | C35 | C36 | C40 | 179.8° | 179.3° |
| N6 | C35 | C36 | C37 | 179.8° | 178.7° |
| N6 | C35 | C40 | C39 | 179.7° | 178.5° |
| C35 | N6 | C32 | H46 | 45.3° | 41.3° |
| C35 | N6 | C32 | H45 | 74.8° | 77.7° |
| C35 | N6 | C33 | H48 | 47.3° | 77.6° |
| C35 | N6 | C33 | H47 | 73.2° | 41.3° |
| N6 | C35 | C36 | H51 | 0.2° | 1.3° |
| N6 | C35 | C40 | H53 | 0.3° | 1.5° |
| C33 | C34 | O5 | H50 | 120.5° | 120.0° |
| C33 | C34 | O5 | H49 | 120.5° | 120.0° |
| C34 | C33 | H48 | H47 | 120.8° | 119.0° |
| C33 | C34 | H50 | H49 | 118.5° | 120.0° |
| C34 | O5 | C31 | H44 | 60.7° | 61.7° |
| O5 | C34 | C33 | H48 | 173.3° | 68.7° |
| O5 | C34 | C33 | H47 | 66.2° | 172.4° |
| O5 | C34 | H50 | H49 | 118.6° | 120.1° |
| C35 | C36 | C37 | H51 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | C35 | C40 | C39 | 0.1° | 0.8° |
| C36 | C35 | C40 | H53 | 179.8° | 179.2° |
| C40 | C35 | C36 | C37 | 0.0° | 0.6° |
| C35 | C40 | C39 | C38 | 0.2° | 0.1° |
| C35 | C40 | C39 | H53 | 180.0° | 180.0° |
| C40 | C35 | C36 | H51 | 180.0° | 179.4° |
| C35 | C40 | C39 | H52 | 179.8° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 1.2° |
| C36 | C37 | C38 | N7 | 179.4° | 178.5° |
| C37 | C38 | C39 | N7 | 179.2° | 179.5° |
| C37 | C38 | C39 | C40 | 0.1° | 1.0° |
| C37 | C38 | N7 | C41 | 175.3° | 179.1° |
| C38 | C37 | C36 | H51 | 179.9° | 179.6° |
| C37 | C38 | C39 | H52 | 179.9° | 179.1° |
| C38 | C39 | C40 | H52 | 180.0° | 179.9° |
| C39 | C38 | N7 | C41 | 5.5° | 0.5° |
| C38 | C39 | C40 | H53 | 179.8° | 179.9° |
| N7 | C38 | C39 | C40 | 179.1° | 178.5° |
| C38 | N7 | C41 | C42 | 85.0° | 84.2° |
| N7 | C38 | C39 | H52 | 0.9° | 1.4° |
| C38 | N7 | C41 | H55 | 155.6° | 155.8° |
| C38 | N7 | C41 | H54 | 34.4° | 35.8° |
| N7 | C41 | C42 | H55 | 119.4° | 120.0° |
| N7 | C41 | C42 | H54 | 119.4° | 120.1° |
| N7 | C41 | C42 | F1 | 61.3° | 65.1° |
| N7 | C41 | C42 | F2 | 59.5° | 174.9° |
| N7 | C41 | C42 | F3 | 179.9° | 54.9° |
| N7 | C41 | H55 | H54 | 121.7° | 120.1° |
| C41 | C42 | F1 | F2 | 124.3° | 120.0° |
| C41 | C42 | F1 | F3 | 121.1° | 119.9° |
| C41 | C42 | F2 | F3 | 122.1° | 120.0° |
| C42 | C41 | H55 | H54 | 121.8° | 119.9° |
| F1 | C42 | F2 | F3 | 114.0° | 120.0° |
| F1 | C42 | C41 | H55 | 58.1° | 174.9° |
| F1 | C42 | C41 | H54 | 179.3° | 55.0° |
| F2 | C42 | C41 | H55 | 178.9° | 54.8° |
| F2 | C42 | C41 | H54 | 59.9° | 65.1° |
| F3 | C42 | C41 | H55 | 60.7° | 65.2° |
| F3 | C42 | C41 | H54 | 60.5° | 174.9° |
| N8 | C43 | O6 | C44 | 179.9° | 180.0° |
| N8 | C43 | C44 | C45 | 132.4° | 66.0° |
| N8 | C43 | C44 | N9 | 102.3° | 174.0° |
| C43 | N8 | C29 | H41 | 13.5° | 174.1° |
| N8 | C43 | C44 | H57 | 15.8° | 54.1° |
| O6 | C43 | C44 | C45 | 47.6° | 114.0° |
| O6 | C43 | C44 | N9 | 77.6° | 6.0° |
| O6 | C43 | C44 | H57 | 164.3° | 125.9° |
| O6 | C43 | N8 | H56 | 178.8° | 178.8° |
| C43 | C44 | C45 | N9 | 127.2° | 120.0° |
| C43 | C44 | C45 | H57 | 116.8° | 120.0° |
| C43 | C44 | N9 | H57 | 117.9° | 120.0° |
| C43 | C44 | C45 | C46 | 179.4° | 75.4° |
| C43 | C44 | C45 | C49 | 63.0° | 39.4° |
| C43 | C44 | N9 | C50 | 55.8° | 58.4° |
| C43 | C44 | N9 | C63 | 67.3° | 59.3° |
| C43 | C44 | C45 | H58 | 57.5° | 162.1° |
| C44 | C43 | N8 | H56 | 1.3° | 1.2° |
| C45 | C44 | N9 | H57 | 115.7° | 120.0° |
| C44 | C45 | C46 | C49 | 118.7° | 118.7° |
| C44 | C45 | C46 | H58 | 121.9° | 122.5° |
| C44 | C45 | C49 | H58 | 120.5° | 122.6° |
| C44 | C45 | C46 | C47 | 104.4° | 142.3° |
| C44 | C45 | C49 | C48 | 119.5° | 156.6° |
| C45 | C44 | N9 | C50 | 70.6° | 61.6° |
| C45 | C44 | N9 | C63 | 166.3° | 179.3° |
| C44 | C45 | C46 | H60 | 15.1° | 23.0° |
| C44 | C45 | C46 | H59 | 136.0° | 98.4° |
| C44 | C45 | C49 | H65 | 120.8° | 85.1° |
| C44 | C45 | C49 | H66 | 0.3° | 38.3° |
| N9 | C44 | C45 | C46 | 52.2° | 164.6° |
| N9 | C44 | C45 | C49 | 169.8° | 80.7° |
| C44 | N9 | C50 | C63 | 127.4° | 120.7° |
| C44 | N9 | C50 | C51 | 164.2° | 145.5° |
| C44 | N9 | C63 | C52 | 177.0° | 158.0° |
| N9 | C44 | C45 | H58 | 69.7° | 42.1° |
| C44 | N9 | C50 | H68 | 45.3° | 95.2° |
| C44 | N9 | C50 | H67 | 76.9° | 26.1° |
| C44 | N9 | C63 | H87 | 64.4° | 39.6° |
| C44 | N9 | C63 | H88 | 58.5° | 83.5° |
| C46 | C45 | C49 | H58 | 119.4° | 118.7° |
| C45 | C46 | C47 | H60 | 119.6° | 119.2° |
| C45 | C46 | C47 | H59 | 119.5° | 119.3° |
| C45 | C46 | C47 | C48 | 22.5° | 0.0° |
| C46 | C45 | C49 | C48 | 0.6° | 37.9° |
| C46 | C45 | C44 | H57 | 63.8° | 44.6° |
| C45 | C46 | H60 | H59 | 121.3° | 121.5° |
| C45 | C46 | C47 | H62 | 97.0° | 119.3° |
| C45 | C46 | C47 | H61 | 142.1° | 119.3° |
| C46 | C45 | C49 | H65 | 119.2° | 156.3° |
| C46 | C45 | C49 | H66 | 120.3° | 80.4° |
| C49 | C45 | C46 | C47 | 14.2° | 23.6° |
| C45 | C49 | C48 | C47 | 13.3° | 38.0° |
| C45 | C49 | C48 | H65 | 119.7° | 118.3° |
| C45 | C49 | C48 | H66 | 119.7° | 118.3° |
| C49 | C45 | C44 | H57 | 53.8° | 159.4° |
| C49 | C45 | C46 | H60 | 133.8° | 95.6° |
| C49 | C45 | C46 | H59 | 105.3° | 142.9° |
| C45 | C49 | C48 | H64 | 132.9° | 156.7° |
| C45 | C49 | C48 | H63 | 106.2° | 80.8° |
| C45 | C49 | H65 | H66 | 120.8° | 123.3° |
| C46 | C47 | C48 | H62 | 119.6° | 119.3° |
| C46 | C47 | C48 | H61 | 119.6° | 119.3° |
| C46 | C47 | C48 | C49 | 22.2° | 23.6° |
| C47 | C46 | C45 | H58 | 133.6° | 95.2° |
| C47 | C46 | H60 | H59 | 121.3° | 121.4° |
| C46 | C47 | H62 | H61 | 121.3° | 121.4° |
| C46 | C47 | C48 | H64 | 141.8° | 142.3° |
| C46 | C47 | C48 | H63 | 97.4° | 95.1° |
| C47 | C48 | C49 | H64 | 119.6° | 118.7° |
| C47 | C48 | C49 | H63 | 119.6° | 118.7° |
| C48 | C47 | C46 | H60 | 142.1° | 119.3° |
| C48 | C47 | C46 | H59 | 97.0° | 119.3° |
| C48 | C47 | H62 | H61 | 121.3° | 121.4° |
| C47 | C48 | H64 | H63 | 121.3° | 122.6° |
| C47 | C48 | C49 | H65 | 133.0° | 156.3° |
| C47 | C48 | C49 | H66 | 106.4° | 80.3° |
| C48 | C49 | C45 | H58 | 120.0° | 80.8° |
| C49 | C48 | C47 | H62 | 97.4° | 95.7° |
| C49 | C48 | C47 | H61 | 141.8° | 142.9° |
| C49 | C48 | H64 | H63 | 121.3° | 122.6° |
| C48 | C49 | H65 | H66 | 120.8° | 123.3° |
| N9 | C50 | C51 | H68 | 118.9° | 119.4° |
| N9 | C50 | C51 | H67 | 118.9° | 119.6° |
| N9 | C50 | C51 | C52 | 11.2° | 2.2° |
| C50 | N9 | C63 | C52 | 48.0° | 37.3° |
| C50 | N9 | C44 | H57 | 173.7° | 178.4° |
| N9 | C50 | H68 | H67 | 123.2° | 121.4° |
| N9 | C50 | C51 | H70 | 130.7° | 121.1° |
| N9 | C50 | C51 | H69 | 108.4° | 116.6° |
| C50 | N9 | C63 | H87 | 166.6° | 81.0° |
| C50 | N9 | C63 | H88 | 70.6° | 155.8° |
| C63 | N9 | C50 | C51 | 36.8° | 24.8° |
| N9 | C63 | C52 | C51 | 38.7° | 35.5° |
| N9 | C63 | C52 | C53 | 162.7° | 157.4° |
| N9 | C63 | C52 | C55 | 80.6° | 86.7° |
| N9 | C63 | C52 | H87 | 118.6° | 118.4° |
| N9 | C63 | C52 | H88 | 118.6° | 118.6° |
| C63 | N9 | C44 | H57 | 50.6° | 60.7° |
| C63 | N9 | C50 | H68 | 82.1° | 144.2° |
| C63 | N9 | C50 | H67 | 155.7° | 94.6° |
| N9 | C63 | H87 | H88 | 124.0° | 123.3° |
| C50 | C51 | C52 | H70 | 119.5° | 118.9° |
| C50 | C51 | C52 | H69 | 119.5° | 118.8° |
| C50 | C51 | C52 | C53 | 140.1° | 142.1° |
| C50 | C51 | C52 | C55 | 101.5° | 101.6° |
| C50 | C51 | C52 | C63 | 17.0° | 20.4° |
| C51 | C50 | H68 | H67 | 123.2° | 121.0° |
| C50 | C51 | H70 | H69 | 121.4° | 122.4° |
| C51 | C52 | C53 | C55 | 122.4° | 121.5° |
| C51 | C52 | C53 | C63 | 117.5° | 117.6° |
| C51 | C52 | C55 | C63 | 114.0° | 117.8° |
| C51 | C52 | C53 | C54 | 157.2° | 155.0° |
| C51 | C52 | C55 | N10 | 146.6° | 156.3° |
| C52 | C51 | C50 | H68 | 107.7° | 121.6° |
| C52 | C51 | C50 | H67 | 130.1° | 117.4° |
| C52 | C51 | H70 | H69 | 121.4° | 122.3° |
| C51 | C52 | C53 | H72 | 83.7° | 86.6° |
| C51 | C52 | C53 | H71 | 38.1° | 36.7° |
| C51 | C52 | C55 | H76 | 27.5° | 37.5° |
| C51 | C52 | C55 | H75 | 94.2° | 84.8° |
| C51 | C52 | C63 | H87 | 157.3° | 82.9° |
| C51 | C52 | C63 | H88 | 79.9° | 154.1° |
| C53 | C52 | C55 | C63 | 121.9° | 120.9° |
| C52 | C53 | C54 | H72 | 119.1° | 118.4° |
| C52 | C53 | C54 | H71 | 119.1° | 118.2° |
| C52 | C53 | C54 | N10 | 33.1° | 20.6° |
| C53 | C52 | C55 | N10 | 22.5° | 34.9° |
| C53 | C52 | C51 | H70 | 20.6° | 23.2° |
| C53 | C52 | C51 | H69 | 100.3° | 99.2° |
| C52 | C53 | H72 | H71 | 122.5° | 123.3° |
| C52 | C53 | C54 | H73 | 85.8° | 98.9° |
| C52 | C53 | C54 | H74 | 151.9° | 140.1° |
| C53 | C52 | C55 | H76 | 96.6° | 83.9° |
| C53 | C52 | C55 | H75 | 141.6° | 153.8° |
| C53 | C52 | C63 | H87 | 78.7° | 39.0° |
| C53 | C52 | C63 | H88 | 44.1° | 84.0° |
| C55 | C52 | C53 | C54 | 34.8° | 33.5° |
| C52 | C55 | N10 | C54 | 1.4° | 22.3° |
| C52 | C55 | N10 | H76 | 119.2° | 118.7° |
| C52 | C55 | N10 | H75 | 119.2° | 118.9° |
| C52 | C55 | N10 | C56 | 178.8° | 157.6° |
| C55 | C52 | C51 | H70 | 138.9° | 139.5° |
| C55 | C52 | C51 | H69 | 18.0° | 17.2° |
| C55 | C52 | C53 | H72 | 154.0° | 151.9° |
| C55 | C52 | C53 | H71 | 84.3° | 84.8° |
| C52 | C55 | H76 | H75 | 122.5° | 122.3° |
| C55 | C52 | C63 | H87 | 38.0° | 154.9° |
| C55 | C52 | C63 | H88 | 160.8° | 31.9° |
| C63 | C52 | C53 | C54 | 85.3° | 87.4° |
| C63 | C52 | C55 | N10 | 99.4° | 86.0° |
| C63 | C52 | C51 | H70 | 102.5° | 98.5° |
| C63 | C52 | C51 | H69 | 136.5° | 139.2° |
| C63 | C52 | C53 | H72 | 33.8° | 30.9° |
| C63 | C52 | C53 | H71 | 155.6° | 154.3° |
| C63 | C52 | C55 | H76 | 141.5° | 155.2° |
| C63 | C52 | C55 | H75 | 19.8° | 33.0° |
| C52 | C63 | H87 | H88 | 124.0° | 123.1° |
| C53 | C54 | N10 | H73 | 118.8° | 119.4° |
| C53 | C54 | N10 | H74 | 118.8° | 119.5° |
| C53 | C54 | N10 | C55 | 19.9° | 0.9° |
| C53 | C54 | N10 | C56 | 159.9° | 179.0° |
| C54 | C53 | H72 | H71 | 122.5° | 123.4° |
| C53 | C54 | H73 | H74 | 123.4° | 121.0° |
| C54 | N10 | C55 | C56 | 179.7° | 179.9° |
| C54 | N10 | C56 | O7 | 174.5° | 175.1° |
| C54 | N10 | C56 | C57 | 7.0° | 4.8° |
| N10 | C54 | C53 | H72 | 152.2° | 139.0° |
| N10 | C54 | C53 | H71 | 86.1° | 97.6° |
| N10 | C54 | H73 | H74 | 123.5° | 121.1° |
| C54 | N10 | C55 | H76 | 117.7° | 96.5° |
| C54 | N10 | C55 | H75 | 120.6° | 141.2° |
| C55 | N10 | C56 | O7 | 5.8° | 4.9° |
| C55 | N10 | C56 | C57 | 172.7° | 175.1° |
| C55 | N10 | C54 | H73 | 99.0° | 120.4° |
| C55 | N10 | C54 | H74 | 138.7° | 118.5° |
| N10 | C55 | H76 | H75 | 122.5° | 122.5° |
| N10 | C56 | O7 | C57 | 178.5° | 180.0° |
| N10 | C56 | C57 | C58 | 94.9° | 74.4° |
| N10 | C56 | C57 | N11 | 145.9° | 165.5° |
| C56 | N10 | C54 | H73 | 81.3° | 59.6° |
| C56 | N10 | C54 | H74 | 41.1° | 61.5° |
| C56 | N10 | C55 | H76 | 62.0° | 83.6° |
| C56 | N10 | C55 | H75 | 59.7° | 38.8° |
| N10 | C56 | C57 | H77 | 26.0° | 45.5° |
| O7 | C56 | C57 | C58 | 83.6° | 105.5° |
| O7 | C56 | C57 | N11 | 35.6° | 14.5° |
| O7 | C56 | C57 | H77 | 155.5° | 134.5° |
| C56 | C57 | C58 | N11 | 121.0° | 120.0° |
| C56 | C57 | C58 | H77 | 121.0° | 120.0° |
| C56 | C57 | N11 | H77 | 119.7° | 120.0° |
| C56 | C57 | C58 | C59 | 56.0° | 176.1° |
| C56 | C57 | N11 | C62 | 78.1° | 66.6° |
| C56 | C57 | C58 | H78 | 176.2° | 56.1° |
| C56 | C57 | C58 | H581 | 64.2° | 63.9° |
| C56 | C57 | N11 | H89 | 162.0° | 57.3° |
| C58 | C57 | N11 | H77 | 117.5° | 120.0° |
| C57 | C58 | C59 | H78 | 120.2° | 120.0° |
| C57 | C58 | C59 | H581 | 120.2° | 120.0° |
| C57 | C58 | C59 | C60 | 166.8° | 175.9° |
| C57 | C58 | C59 | C61 | 102.4° | 115.5° |
| C58 | C57 | N11 | C62 | 159.1° | 53.4° |
| C57 | C58 | H78 | H581 | 119.4° | 120.0° |
| C57 | C58 | C59 | H79 | 45.7° | 30.2° |
| C58 | C57 | N11 | H89 | 39.1° | 177.3° |
| N11 | C57 | C58 | C59 | 65.0° | 63.9° |
| C57 | N11 | C62 | H89 | 119.9° | 124.0° |
| N11 | C57 | C58 | H78 | 55.3° | 176.1° |
| N11 | C57 | C58 | H581 | 174.9° | 56.1° |
| C57 | N11 | C62 | H86 | 180.0° | 52.5° |
| C57 | N11 | C62 | H84 | 60.0° | 67.6° |
| C57 | N11 | C62 | H85 | 60.0° | 172.4° |
| C58 | C59 | C60 | C61 | 102.6° | 107.5° |
| C58 | C59 | C60 | H79 | 147.5° | 145.0° |
| C58 | C59 | C61 | H79 | 148.2° | 145.0° |
| C59 | C58 | C57 | H77 | 177.0° | 56.1° |
| C59 | C58 | H78 | H581 | 119.4° | 120.0° |
| C58 | C59 | C60 | H81 | 6.9° | 0.0° |
| C58 | C59 | C60 | H80 | 147.9° | 145.0° |
| C58 | C59 | C61 | H82 | 148.7° | 145.0° |
| C58 | C59 | C61 | H83 | 7.6° | 0.0° |
| C60 | C59 | C61 | H79 | 109.9° | 107.5° |
| C59 | C60 | C61 | H81 | 109.5° | 107.5° |
| C59 | C60 | C61 | H80 | 109.5° | 107.5° |
| C60 | C59 | C58 | H78 | 46.6° | 64.1° |
| C60 | C59 | C58 | H581 | 73.0° | 55.9° |
| C59 | C60 | H81 | H80 | 144.7° | 145.7° |
| C60 | C59 | C61 | H82 | 109.4° | 107.5° |
| C60 | C59 | C61 | H83 | 109.5° | 107.5° |
| C61 | C59 | C58 | H78 | 17.8° | 4.5° |
| C61 | C59 | C58 | H581 | 137.3° | 124.5° |
| C59 | C61 | H82 | H83 | 144.7° | 145.7° |
| C61 | C60 | H81 | H80 | 144.7° | 145.7° |
| C60 | C61 | H82 | H83 | 144.8° | 145.7° |
| C62 | N11 | C57 | H77 | 41.6° | 173.4° |
| N11 | C62 | H86 | H84 | 120.0° | 120.0° |
| N11 | C62 | H86 | H85 | 120.0° | 119.9° |
| N11 | C62 | H84 | H85 | 120.0° | 120.0° |
| H1 | C1 | H3 | H2 | 119.9° | 120.0° |
| H13 | C10 | C9 | H10 | 48.0° | 178.5° |
| H13 | C10 | C9 | H11 | 167.7° | 58.4° |
| H12 | C10 | C9 | H10 | 71.4° | 58.4° |
| H12 | C10 | C9 | H11 | 48.3° | 61.6° |
| H14 | C11 | C12 | H16 | 170.2° | 61.6° |
| H14 | C11 | C12 | H17 | 50.4° | 58.4° |
| H15 | C11 | C12 | H16 | 50.9° | 58.4° |
| H15 | C11 | C12 | H17 | 69.0° | 178.4° |
| H18 | C13 | C14 | H20 | 141.5° | 145.0° |
| H18 | C13 | C14 | H19 | 0.4° | 0.0° |
| H18 | C13 | C15 | H21 | 0.5° | 0.1° |
| H18 | C13 | C15 | H22 | 141.5° | 145.0° |
| H20 | C14 | C15 | H21 | 141.0° | 145.0° |
| H20 | C14 | C15 | H22 | 0.0° | 0.0° |
| H19 | C14 | C15 | H21 | 0.1° | 0.0° |
| H19 | C14 | C15 | H22 | 141.0° | 145.1° |
| H4 | C2 | C3 | H5 | 59.3° | 55.1° |
| H4 | C2 | C3 | H6 | 60.7° | 64.9° |
| H4 | C2 | C3 | H7 | 179.3° | 175.0° |
| H25 | C20 | H26 | H27 | 120.0° | 120.0° |
| H28 | C21 | H29 | H30 | 120.0° | 120.0° |
| H33 | C24 | C25 | H34 | 168.7° | 153.9° |
| H33 | C24 | C25 | H35 | 48.9° | 35.1° |
| H33 | C24 | N5 | H40 | 52.3° | 68.5° |
| H34 | C25 | C26 | H37 | 50.5° | 24.6° |
| H34 | C25 | C26 | H36 | 170.0° | 94.5° |
| H35 | C25 | C26 | H37 | 69.3° | 143.4° |
| H35 | C25 | C26 | H36 | 50.2° | 24.2° |
| H37 | C26 | C27 | H39 | 51.9° | 56.5° |
| H37 | C26 | C27 | H38 | 68.6° | 177.1° |
| H36 | C26 | C27 | H39 | 171.5° | 62.7° |
| H36 | C26 | C27 | H38 | 51.0° | 57.9° |
| H41 | C29 | C30 | H42 | 155.8° | 158.7° |
| H41 | C29 | C30 | H43 | 85.7° | 81.0° |
| H41 | C29 | N8 | H56 | 166.4° | 5.9° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H42 | C30 | C31 | H44 | 18.6° | 139.3° |
| H43 | C30 | C31 | H44 | 99.9° | 18.9° |
| H44 | C31 | C32 | H46 | 55.0° | 52.4° |
| H44 | C31 | C32 | H45 | 175.1° | 171.4° |
| H48 | C33 | C34 | H50 | 52.8° | 171.4° |
| H48 | C33 | C34 | H49 | 66.2° | 51.3° |
| H47 | C33 | C34 | H50 | 173.3° | 52.4° |
| H47 | C33 | C34 | H49 | 54.3° | 67.6° |
| H52 | C39 | C40 | H53 | 0.2° | 0.0° |
| H57 | C44 | C45 | H58 | 174.3° | 77.9° |
| H58 | C45 | C46 | H60 | 106.8° | 145.5° |
| H58 | C45 | C46 | H59 | 14.1° | 24.1° |
| H58 | C45 | C49 | H65 | 0.3° | 37.6° |
| H58 | C45 | C49 | H66 | 120.2° | 160.9° |
| H60 | C46 | C47 | H62 | 22.6° | 0.0° |
| H60 | C46 | C47 | H61 | 98.3° | 121.5° |
| H59 | C46 | C47 | H62 | 143.4° | 121.4° |
| H59 | C46 | C47 | H61 | 22.5° | 0.0° |
| H62 | C47 | C48 | H64 | 22.2° | 23.0° |
| H62 | C47 | C48 | H63 | 143.1° | 145.6° |
| H61 | C47 | C48 | H64 | 98.7° | 98.4° |
| H61 | C47 | C48 | H63 | 22.2° | 24.2° |
| H64 | C48 | C49 | H65 | 107.4° | 85.0° |
| H64 | C48 | C49 | H66 | 13.1° | 38.4° |
| H63 | C48 | C49 | H65 | 13.5° | 37.6° |
| H63 | C48 | C49 | H66 | 134.0° | 161.0° |
| H68 | C50 | C51 | H70 | 11.8° | 119.5° |
| H68 | C50 | C51 | H69 | 132.8° | 2.8° |
| H67 | C50 | C51 | H70 | 110.4° | 1.5° |
| H67 | C50 | C51 | H69 | 10.5° | 123.9° |
| H72 | C53 | C54 | H73 | 33.4° | 19.5° |
| H72 | C53 | C54 | H74 | 89.0° | 101.6° |
| H71 | C53 | C54 | H73 | 155.1° | 142.9° |
| H71 | C53 | C54 | H74 | 32.7° | 21.9° |
| H77 | C57 | C58 | H78 | 62.7° | 63.9° |
| H77 | C57 | C58 | H581 | 56.8° | 176.1° |
| H77 | C57 | N11 | H89 | 78.4° | 62.7° |
| H78 | C58 | C59 | H79 | 165.9° | 150.2° |
| H581 | C58 | C59 | H79 | 74.5° | 89.8° |
| H79 | C59 | C60 | H81 | 140.6° | 145.0° |
| H79 | C59 | C60 | H80 | 0.4° | 0.0° |
| H79 | C59 | C61 | H82 | 0.5° | 0.0° |
| H79 | C59 | C61 | H83 | 140.6° | 145.0° |
| H81 | C60 | C61 | H82 | 141.0° | 145.1° |
| H81 | C60 | C61 | H83 | 0.0° | 0.0° |
| H80 | C60 | C61 | H82 | 0.0° | 0.0° |
| H80 | C60 | C61 | H83 | 141.1° | 145.1° |
| H86 | C62 | H84 | H85 | 120.0° | 120.0° |
| H86 | C62 | N11 | H89 | 60.1° | 176.4° |
| H84 | C62 | N11 | H89 | 179.9° | 56.4° |
| H85 | C62 | N11 | H89 | 60.0° | 63.7° |
