A1AZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C8 | sing | 1.48Å | 1.47Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C9 | C10 | sing | 1.54Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.54Å | |
| C12 | N3 | sing | 1.49Å | 1.48Å | |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | O2 | doub | 1.21Å | 1.23Å | |
| C14 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | N5 | doub | 1.29Å | 1.30Å | Aromatic |
| N5 | C18 | sing | 1.33Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.36Å | Aromatic |
| C19 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C18 | C20 | sing | 1.49Å | 1.47Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.46Å | 1.43Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.48Å | 1.48Å | |
| C28 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | N6 | sing | 1.40Å | 1.39Å | |
| N6 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | N7 | sing | 1.47Å | 1.46Å | |
| N7 | C33 | sing | 1.47Å | 1.44Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| N7 | C36 | sing | 1.47Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C30 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | N8 | sing | 1.32Å | 1.34Å | Aromatic |
| N8 | C39 | doub | 1.32Å | 1.35Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C42 | sing | 1.43Å | 1.43Å | |
| C27 | N9 | sing | 1.38Å | 1.40Å | Aromatic |
| N9 | C43 | sing | 1.47Å | 1.46Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | F1 | sing | 1.40Å | 1.33Å | |
| C44 | F2 | sing | 1.40Å | 1.33Å | |
| C44 | F3 | sing | 1.40Å | 1.33Å | |
| C26 | C45 | sing | 1.51Å | 1.50Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| C49 | O4 | sing | 1.45Å | 1.46Å | |
| O4 | C50 | sing | 1.34Å | 1.33Å | |
| C50 | O5 | doub | 1.21Å | 1.20Å | |
| C50 | C51 | sing | 1.51Å | 1.51Å | |
| C51 | C52 | sing | 1.52Å | 1.53Å | |
| C52 | C53 | sing | 1.52Å | 1.51Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| C54 | N10 | sing | 1.47Å | 1.48Å | |
| N10 | N11 | sing | 1.37Å | 1.39Å | |
| N10 | C55 | sing | 1.35Å | 1.37Å | |
| C55 | O6 | doub | 1.21Å | 1.22Å | |
| C13 | C56 | sing | 1.53Å | 1.54Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| N3 | C59 | sing | 1.49Å | 1.47Å | |
| C10 | C60 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.50Å | |
| N2 | C60 | sing | 1.47Å | 1.47Å | |
| C10 | C59 | sing | 1.53Å | 1.54Å | |
| C15 | C55 | sing | 1.51Å | 1.52Å | |
| C17 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C39 | sing | 1.40Å | 1.44Å | Aromatic |
| C51 | N11 | sing | 1.47Å | 1.45Å | |
| C23 | N9 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C37 | sing | 1.47Å | 1.46Å | |
| C33 | C35 | sing | 1.53Å | 1.50Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å | |
| C41 | H46 | sing | 1.09Å | 1.10Å | |
| C41 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C48 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H61 | sing | 1.09Å | 1.10Å | |
| C49 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C51 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H67 | sing | 1.09Å | 1.10Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C56 | H72 | sing | 1.09Å | 1.10Å | |
| C57 | H74 | sing | 1.09Å | 1.10Å | |
| C57 | H75 | sing | 1.09Å | 1.10Å | |
| C57 | H73 | sing | 1.09Å | 1.10Å | |
| C58 | H77 | sing | 1.09Å | 1.10Å | |
| C58 | H76 | sing | 1.09Å | 1.10Å | |
| C58 | H78 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C59 | H80 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C60 | H82 | sing | 1.09Å | 1.10Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N11 | H71 | sing | 1.01Å | 1.00Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 111.4° | 111.0° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| C1 | N1 | H4 | 109.0° | 111.0° |
| N1 | C2 | C3 | 109.2° | 109.5° |
| N1 | C2 | C7 | 107.0° | 109.5° |
| N1 | C2 | H5 | 110.0° | 109.5° |
| C2 | N1 | H4 | 109.0° | 111.0° |
| C2 | C3 | C4 | 112.6° | 109.5° |
| C3 | C2 | C7 | 112.4° | 109.5° |
| C3 | C2 | H5 | 109.0° | 109.4° |
| C2 | C3 | H6 | 108.7° | 109.5° |
| C2 | C3 | H7 | 108.7° | 109.4° |
| C3 | C4 | C5 | 120.1° | 117.5° |
| C3 | C4 | C6 | 120.1° | 117.5° |
| C4 | C3 | H6 | 108.7° | 109.5° |
| C4 | C3 | H7 | 108.7° | 109.5° |
| C3 | C4 | H8 | 115.1° | 115.5° |
| C4 | C5 | C6 | 60.0° | 60.0° |
| C5 | C4 | C6 | 59.9° | 60.0° |
| C5 | C4 | H8 | 115.3° | 117.5° |
| C4 | C5 | H10 | 120.0° | 117.5° |
| C4 | C5 | H9 | 120.0° | 117.5° |
| C5 | C6 | C4 | 60.1° | 60.0° |
| C6 | C5 | H10 | 120.0° | 117.6° |
| C6 | C5 | H9 | 120.0° | 117.5° |
| C5 | C6 | H12 | 120.0° | 117.5° |
| C5 | C6 | H11 | 120.0° | 117.5° |
| C2 | C7 | O1 | 120.4° | 120.0° |
| C2 | C7 | N2 | 119.8° | 120.1° |
| C7 | C2 | H5 | 109.1° | 109.4° |
| O1 | C7 | N2 | 119.8° | 120.0° |
| C7 | N2 | C8 | 129.6° | 125.7° |
| C7 | N2 | C60 | 119.5° | 125.7° |
| N2 | C8 | C9 | 102.9° | 105.0° |
| C8 | N2 | C60 | 110.9° | 108.6° |
| N2 | C8 | H14 | 111.1° | 110.3° |
| N2 | C8 | H13 | 111.1° | 110.4° |
| C8 | C9 | C10 | 101.1° | 101.5° |
| C9 | C8 | H14 | 111.1° | 110.4° |
| C9 | C8 | H13 | 111.1° | 110.4° |
| C8 | C9 | H15 | 111.5° | 111.0° |
| C8 | C9 | H16 | 111.5° | 111.0° |
| C9 | C10 | C11 | 112.2° | 111.4° |
| C9 | C10 | C60 | 102.3° | 104.4° |
| C9 | C10 | C59 | 114.7° | 111.3° |
| C10 | C9 | H15 | 111.5° | 111.0° |
| C10 | C9 | H16 | 111.5° | 111.0° |
| C10 | C11 | C12 | 106.6° | 104.6° |
| C11 | C10 | C60 | 113.2° | 111.8° |
| C11 | C10 | C59 | 99.7° | 106.4° |
| C10 | C11 | H17 | 110.2° | 110.5° |
| C10 | C11 | H18 | 110.2° | 110.4° |
| C11 | C12 | N3 | 103.6° | 104.7° |
| C12 | C11 | H17 | 110.2° | 110.4° |
| C12 | C11 | H18 | 110.2° | 110.3° |
| C11 | C12 | H19 | 110.9° | 110.4° |
| C11 | C12 | H20 | 110.9° | 110.4° |
| C12 | N3 | C13 | 118.5° | 111.0° |
| C12 | N3 | C59 | 107.6° | 104.4° |
| N3 | C12 | H19 | 110.9° | 110.3° |
| N3 | C12 | H20 | 110.9° | 110.4° |
| N3 | C13 | C14 | 110.0° | 109.5° |
| N3 | C13 | C56 | 114.3° | 109.5° |
| C13 | N3 | C59 | 116.9° | 111.0° |
| N3 | C13 | H21 | 106.7° | 109.4° |
| C13 | C14 | O2 | 120.8° | 120.0° |
| C13 | C14 | N4 | 115.8° | 120.0° |
| C14 | C13 | C56 | 113.1° | 109.5° |
| C14 | C13 | H21 | 106.2° | 109.5° |
| O2 | C14 | N4 | 123.4° | 120.1° |
| C14 | N4 | C15 | 120.9° | 120.0° |
| C14 | N4 | H22 | 119.5° | 120.1° |
| N4 | C15 | C16 | 109.6° | 109.4° |
| N4 | C15 | C55 | 109.8° | 109.4° |
| N4 | C15 | H23 | 110.3° | 109.3° |
| C15 | N4 | H22 | 119.5° | 120.0° |
| C15 | C16 | C17 | 113.2° | 108.6° |
| C16 | C15 | C55 | 108.6° | 110.2° |
| C16 | C15 | H23 | 109.2° | 109.4° |
| C15 | C16 | H24 | 108.6° | 109.6° |
| C15 | C16 | H25 | 108.5° | 109.7° |
| C16 | C17 | N5 | 124.3° | 123.9° |
| C16 | C17 | S1 | 122.3° | 125.6° |
| C17 | C16 | H24 | 108.5° | 109.6° |
| C17 | C16 | H25 | 108.6° | 109.6° |
| C17 | N5 | C18 | 112.5° | 117.1° |
| N5 | C17 | S1 | 113.4° | 110.5° |
| N5 | C18 | C19 | 114.2° | 114.1° |
| N5 | C18 | C20 | 119.9° | 121.7° |
| C18 | C19 | S1 | 110.5° | 107.8° |
| C19 | C18 | C20 | 125.8° | 124.2° |
| C18 | C19 | H26 | 124.7° | 126.1° |
| C19 | S1 | C17 | 89.4° | 90.5° |
| S1 | C19 | H26 | 124.8° | 126.1° |
| C18 | C20 | C21 | 121.4° | 120.8° |
| C18 | C20 | C25 | 117.9° | 118.9° |
| C20 | C21 | C22 | 121.4° | 120.4° |
| C21 | C20 | C25 | 120.7° | 120.3° |
| C20 | C21 | H27 | 119.3° | 119.8° |
| C21 | C22 | C23 | 117.8° | 120.2° |
| C22 | C21 | H27 | 119.3° | 119.8° |
| C21 | C22 | H28 | 121.1° | 119.9° |
| C22 | C23 | C24 | 121.9° | 119.6° |
| C22 | C23 | N9 | 130.6° | 133.2° |
| C23 | C22 | H28 | 121.1° | 119.9° |
| C23 | C24 | C25 | 119.2° | 120.0° |
| C23 | C24 | C26 | 107.6° | 106.4° |
| C24 | C23 | N9 | 107.5° | 107.3° |
| C25 | C24 | C26 | 133.1° | 133.6° |
| C24 | C25 | C20 | 119.0° | 119.5° |
| C24 | C25 | H29 | 120.5° | 120.3° |
| C24 | C26 | C27 | 107.1° | 106.8° |
| C24 | C26 | C45 | 125.4° | 126.7° |
| C26 | C27 | C28 | 125.8° | 125.2° |
| C26 | C27 | N9 | 108.8° | 109.6° |
| C27 | C26 | C45 | 127.5° | 126.5° |
| C27 | C28 | C29 | 118.5° | 120.5° |
| C28 | C27 | N9 | 125.4° | 125.2° |
| C27 | C28 | C39 | 123.9° | 120.5° |
| C28 | C29 | C30 | 119.2° | 118.2° |
| C29 | C28 | C39 | 117.5° | 119.0° |
| C28 | C29 | H30 | 120.4° | 120.9° |
| C29 | C30 | N6 | 121.4° | 120.4° |
| C29 | C30 | C38 | 119.8° | 119.2° |
| C30 | C29 | H30 | 120.4° | 120.9° |
| C30 | N6 | C31 | 121.8° | 111.0° |
| N6 | C30 | C38 | 118.7° | 120.4° |
| C30 | N6 | C37 | 118.9° | 111.0° |
| N6 | C31 | C32 | 112.9° | 109.4° |
| C31 | N6 | C37 | 117.5° | 110.9° |
| N6 | C31 | H31 | 108.6° | 109.5° |
| N6 | C31 | H32 | 108.6° | 109.5° |
| C31 | C32 | N7 | 111.4° | 109.3° |
| C32 | C31 | H31 | 108.6° | 109.5° |
| C32 | C31 | H32 | 108.6° | 109.5° |
| C31 | C32 | H34 | 109.0° | 109.5° |
| C31 | C32 | H33 | 109.0° | 109.5° |
| C32 | N7 | C33 | 109.3° | 111.0° |
| C32 | N7 | C36 | 111.3° | 110.9° |
| N7 | C32 | H34 | 109.0° | 109.5° |
| N7 | C32 | H33 | 109.0° | 109.5° |
| N7 | C33 | C34 | 116.4° | 117.5° |
| C33 | N7 | C36 | 110.1° | 111.0° |
| N7 | C33 | C35 | 117.5° | 117.5° |
| N7 | C33 | H35 | 117.5° | 115.5° |
| C33 | C34 | C35 | 59.9° | 60.0° |
| C34 | C33 | C35 | 60.2° | 60.0° |
| C34 | C33 | H35 | 116.3° | 117.5° |
| C33 | C34 | H37 | 120.0° | 117.5° |
| C33 | C34 | H36 | 120.0° | 117.5° |
| C34 | C35 | C33 | 59.9° | 60.0° |
| C35 | C34 | H37 | 120.0° | 117.5° |
| C35 | C34 | H36 | 120.0° | 117.5° |
| C34 | C35 | H38 | 120.0° | 117.5° |
| C34 | C35 | H39 | 120.0° | 117.5° |
| N7 | C36 | C37 | 111.8° | 109.3° |
| N7 | C36 | H40 | 108.9° | 109.5° |
| N7 | C36 | H41 | 108.9° | 109.5° |
| C36 | C37 | N6 | 117.6° | 109.4° |
| C37 | C36 | H40 | 108.9° | 109.5° |
| C37 | C36 | H41 | 108.9° | 109.5° |
| C36 | C37 | H43 | 107.4° | 109.5° |
| C36 | C37 | H42 | 107.4° | 109.5° |
| C30 | C38 | N8 | 122.5° | 120.9° |
| C30 | C38 | H44 | 118.8° | 119.6° |
| C38 | N8 | C39 | 118.8° | 122.0° |
| N8 | C38 | H44 | 118.8° | 119.5° |
| N8 | C39 | C40 | 113.9° | 119.7° |
| N8 | C39 | C28 | 122.2° | 120.7° |
| C39 | C40 | C41 | 111.4° | 109.5° |
| C39 | C40 | O3 | 110.6° | 109.5° |
| C40 | C39 | C28 | 123.9° | 119.6° |
| C39 | C40 | H45 | 107.8° | 109.5° |
| C41 | C40 | O3 | 110.2° | 109.5° |
| C41 | C40 | H45 | 107.8° | 109.5° |
| C40 | C41 | H46 | 109.5° | 109.5° |
| C40 | C41 | H47 | 109.5° | 109.5° |
| C40 | C41 | H48 | 109.4° | 109.4° |
| C40 | O3 | C42 | 112.2° | 114.0° |
| O3 | C40 | H45 | 109.0° | 109.5° |
| O3 | C42 | H49 | 109.5° | 109.5° |
| O3 | C42 | H51 | 109.5° | 109.5° |
| O3 | C42 | H50 | 109.5° | 109.5° |
| C27 | N9 | C43 | 126.9° | 125.1° |
| C27 | N9 | C23 | 108.9° | 109.9° |
| N9 | C43 | C44 | 108.4° | 109.4° |
| C43 | N9 | C23 | 123.8° | 125.0° |
| N9 | C43 | H53 | 109.7° | 109.5° |
| N9 | C43 | H52 | 109.7° | 109.4° |
| C43 | C44 | F1 | 112.5° | 109.4° |
| C43 | C44 | F2 | 112.5° | 109.4° |
| C43 | C44 | F3 | 111.6° | 109.5° |
| C44 | C43 | H53 | 109.8° | 109.5° |
| C44 | C43 | H52 | 109.7° | 109.5° |
| F1 | C44 | F2 | 105.8° | 109.5° |
| F1 | C44 | F3 | 107.1° | 109.5° |
| F2 | C44 | F3 | 107.0° | 109.5° |
| C26 | C45 | C46 | 118.2° | 109.8° |
| C26 | C45 | H55 | 107.2° | 109.4° |
| C26 | C45 | H54 | 107.2° | 109.4° |
| C45 | C46 | C47 | 111.5° | 109.5° |
| C45 | C46 | C48 | 106.7° | 109.5° |
| C45 | C46 | C49 | 111.5° | 109.3° |
| C46 | C45 | H55 | 107.3° | 109.4° |
| C46 | C45 | H54 | 107.3° | 109.4° |
| C47 | C46 | C48 | 108.4° | 109.5° |
| C47 | C46 | C49 | 108.9° | 109.5° |
| C46 | C47 | H56 | 109.5° | 109.5° |
| C46 | C47 | H57 | 109.5° | 109.5° |
| C46 | C47 | H58 | 109.5° | 109.5° |
| C48 | C46 | C49 | 109.8° | 109.5° |
| C46 | C48 | H59 | 109.5° | 109.4° |
| C46 | C48 | H60 | 109.5° | 109.5° |
| C46 | C48 | H61 | 109.5° | 109.5° |
| C46 | C49 | O4 | 108.4° | 109.3° |
| C46 | C49 | H63 | 109.8° | 109.5° |
| C46 | C49 | H62 | 109.7° | 109.5° |
| C49 | O4 | C50 | 115.9° | 117.3° |
| O4 | C49 | H63 | 109.7° | 109.5° |
| O4 | C49 | H62 | 109.7° | 109.5° |
| O4 | C50 | O5 | 125.2° | 120.4° |
| O4 | C50 | C51 | 110.7° | 119.3° |
| O5 | C50 | C51 | 124.1° | 120.3° |
| C50 | C51 | C52 | 107.9° | 110.1° |
| C50 | C51 | N11 | 108.8° | 108.8° |
| C50 | C51 | H64 | 109.7° | 109.4° |
| C51 | C52 | C53 | 111.0° | 111.8° |
| C52 | C51 | N11 | 110.4° | 109.7° |
| C52 | C51 | H64 | 109.5° | 109.9° |
| C51 | C52 | H65 | 109.1° | 109.0° |
| C51 | C52 | H66 | 109.1° | 109.0° |
| C52 | C53 | C54 | 110.9° | 111.0° |
| C53 | C52 | H65 | 109.1° | 109.0° |
| C53 | C52 | H66 | 109.1° | 109.1° |
| C52 | C53 | H68 | 109.1° | 109.2° |
| C52 | C53 | H67 | 109.1° | 109.1° |
| C53 | C54 | N10 | 107.8° | 108.5° |
| C54 | C53 | H68 | 109.1° | 109.2° |
| C54 | C53 | H67 | 109.1° | 109.2° |
| C53 | C54 | H70 | 109.9° | 109.6° |
| C53 | C54 | H69 | 109.9° | 109.6° |
| C54 | N10 | N11 | 117.4° | 119.4° |
| C54 | N10 | C55 | 123.2° | 120.7° |
| N10 | C54 | H70 | 109.9° | 109.6° |
| N10 | C54 | H69 | 109.9° | 109.7° |
| N11 | N10 | C55 | 119.3° | 120.0° |
| N10 | N11 | C51 | 113.2° | 110.6° |
| N10 | N11 | H71 | 108.5° | 111.0° |
| N10 | C55 | O6 | 122.0° | 120.3° |
| N10 | C55 | C15 | 116.2° | 119.4° |
| O6 | C55 | C15 | 121.8° | 120.3° |
| C13 | C56 | C57 | 111.7° | 109.5° |
| C13 | C56 | C58 | 109.1° | 109.5° |
| C56 | C13 | H21 | 106.0° | 109.5° |
| C13 | C56 | H72 | 108.5° | 109.5° |
| C57 | C56 | C58 | 110.3° | 109.5° |
| C57 | C56 | H72 | 108.6° | 109.4° |
| C56 | C57 | H74 | 109.5° | 109.5° |
| C56 | C57 | H75 | 109.4° | 109.5° |
| C56 | C57 | H73 | 109.5° | 109.5° |
| C58 | C56 | H72 | 108.5° | 109.5° |
| C56 | C58 | H77 | 109.5° | 109.5° |
| C56 | C58 | H76 | 109.5° | 109.5° |
| C56 | C58 | H78 | 109.4° | 109.4° |
| N3 | C59 | C10 | 101.5° | 104.3° |
| N3 | C59 | H79 | 111.4° | 110.5° |
| N3 | C59 | H80 | 111.4° | 110.6° |
| C10 | C60 | N2 | 103.5° | 106.9° |
| C60 | C10 | C59 | 115.2° | 111.7° |
| C10 | C60 | H82 | 110.9° | 109.9° |
| C10 | C60 | H81 | 111.0° | 110.0° |
| C6 | C4 | H8 | 115.3° | 117.5° |
| C4 | C6 | H12 | 120.0° | 117.6° |
| C4 | C6 | H11 | 120.0° | 117.4° |
| N2 | C60 | H82 | 110.9° | 110.0° |
| N2 | C60 | H81 | 110.9° | 110.0° |
| C10 | C59 | H79 | 111.4° | 110.4° |
| C10 | C59 | H80 | 111.4° | 110.5° |
| C55 | C15 | H23 | 109.3° | 109.3° |
| C20 | C25 | H29 | 120.5° | 120.2° |
| N11 | C51 | H64 | 110.6° | 109.0° |
| C51 | N11 | H71 | 108.5° | 111.0° |
| N6 | C37 | H43 | 107.4° | 109.5° |
| N6 | C37 | H42 | 107.4° | 109.5° |
| C35 | C33 | H35 | 116.4° | 117.5° |
| C33 | C35 | H38 | 120.0° | 117.5° |
| C33 | C35 | H39 | 120.0° | 117.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.4° | 110.5° |
| H19 | C12 | H20 | 109.5° | 110.5° |
| H24 | C16 | H25 | 109.4° | 109.8° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.4° | 109.5° |
| H34 | C32 | H33 | 109.5° | 109.5° |
| H37 | C34 | H36 | 109.5° | 115.5° |
| H38 | C35 | H39 | 109.5° | 115.5° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H43 | C37 | H42 | 109.4° | 109.5° |
| H46 | C41 | H47 | 109.4° | 109.4° |
| H46 | C41 | H48 | 109.5° | 109.5° |
| H47 | C41 | H48 | 109.5° | 109.5° |
| H49 | C42 | H51 | 109.4° | 109.5° |
| H49 | C42 | H50 | 109.5° | 109.4° |
| H51 | C42 | H50 | 109.5° | 109.5° |
| H53 | C43 | H52 | 109.5° | 109.5° |
| H55 | C45 | H54 | 109.5° | 109.4° |
| H56 | C47 | H57 | 109.5° | 109.5° |
| H56 | C47 | H58 | 109.5° | 109.4° |
| H57 | C47 | H58 | 109.5° | 109.5° |
| H59 | C48 | H60 | 109.5° | 109.5° |
| H59 | C48 | H61 | 109.4° | 109.5° |
| H60 | C48 | H61 | 109.5° | 109.5° |
| H63 | C49 | H62 | 109.5° | 109.5° |
| H10 | C5 | H9 | 109.5° | 115.5° |
| H65 | C52 | H66 | 109.4° | 108.9° |
| H68 | C53 | H67 | 109.5° | 109.2° |
| H70 | C54 | H69 | 109.5° | 109.8° |
| H74 | C57 | H75 | 109.5° | 109.4° |
| H74 | C57 | H73 | 109.5° | 109.4° |
| H75 | C57 | H73 | 109.5° | 109.4° |
| H77 | C58 | H76 | 109.5° | 109.5° |
| H77 | C58 | H78 | 109.5° | 109.5° |
| H76 | C58 | H78 | 109.4° | 109.5° |
| H79 | C59 | H80 | 109.5° | 110.4° |
| H12 | C6 | H11 | 109.5° | 115.6° |
| H82 | C60 | H81 | 109.5° | 110.0° |
| H14 | C8 | H13 | 109.5° | 110.3° |
| H15 | C9 | H16 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 120.3° | 123.9° |
| C1 | N1 | C2 | C3 | 151.7° | 51.6° |
| C1 | N1 | C2 | C7 | 86.4° | 68.5° |
| N1 | C1 | H3 | H1 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | N1 | C2 | H5 | 32.1° | 171.5° |
| N1 | C2 | C3 | C7 | 118.6° | 120.1° |
| N1 | C2 | C3 | H5 | 120.2° | 120.0° |
| N1 | C2 | C3 | C4 | 61.0° | 64.8° |
| N1 | C2 | C7 | H5 | 119.0° | 120.0° |
| N1 | C2 | C7 | O1 | 34.1° | 23.9° |
| N1 | C2 | C7 | N2 | 147.4° | 156.1° |
| C2 | N1 | C1 | H3 | 180.0° | 57.9° |
| C2 | N1 | C1 | H1 | 60.0° | 177.8° |
| C2 | N1 | C1 | H2 | 60.0° | 62.1° |
| N1 | C2 | C3 | H6 | 59.4° | 175.2° |
| N1 | C2 | C3 | H7 | 178.5° | 55.1° |
| C2 | C3 | C4 | H6 | 120.5° | 120.0° |
| C2 | C3 | C4 | H7 | 120.5° | 119.9° |
| C2 | C3 | C4 | C5 | 166.4° | 174.5° |
| C3 | C2 | C7 | H5 | 121.1° | 119.9° |
| C3 | C2 | C7 | O1 | 85.8° | 96.1° |
| C3 | C2 | C7 | N2 | 92.7° | 83.8° |
| C2 | C3 | C4 | C6 | 95.9° | 116.9° |
| C2 | C3 | H6 | H7 | 118.5° | 119.9° |
| C2 | C3 | C4 | H8 | 48.9° | 28.8° |
| C3 | C2 | N1 | H4 | 88.0° | 72.3° |
| C3 | C4 | C5 | C6 | 109.5° | 107.5° |
| C3 | C4 | C5 | H8 | 144.7° | 144.9° |
| C4 | C3 | C2 | C7 | 57.6° | 175.1° |
| C3 | C4 | C6 | H8 | 144.8° | 145.0° |
| C4 | C3 | C2 | H5 | 178.7° | 55.2° |
| C4 | C3 | H6 | H7 | 118.6° | 120.0° |
| C3 | C4 | C5 | H10 | 0.0° | 0.0° |
| C3 | C4 | C5 | H9 | 141.1° | 145.0° |
| C3 | C4 | C6 | H12 | 0.0° | 145.0° |
| C3 | C4 | C6 | H11 | 141.0° | 0.1° |
| C4 | C5 | C6 | H10 | 109.5° | 107.4° |
| C4 | C5 | C6 | H9 | 109.5° | 107.5° |
| C5 | C4 | C6 | H8 | 105.8° | 107.5° |
| C5 | C4 | C3 | H6 | 45.9° | 65.5° |
| C5 | C4 | C3 | H7 | 73.2° | 54.5° |
| C4 | C5 | H10 | H9 | 144.7° | 145.6° |
| C5 | C4 | C6 | H12 | 109.5° | 107.5° |
| C5 | C4 | C6 | H11 | 109.5° | 107.5° |
| C6 | C5 | H10 | H9 | 144.7° | 145.7° |
| C5 | C6 | H12 | H11 | 144.7° | 145.6° |
| C2 | C7 | O1 | N2 | 178.5° | 180.0° |
| C2 | C7 | N2 | C8 | 8.4° | 4.9° |
| C2 | C7 | N2 | C60 | 170.5° | 175.1° |
| C7 | C2 | C3 | H6 | 178.0° | 55.1° |
| C7 | C2 | C3 | H7 | 62.9° | 64.9° |
| C7 | C2 | N1 | H4 | 33.9° | 167.6° |
| O1 | C7 | N2 | C8 | 173.1° | 175.1° |
| O1 | C7 | N2 | C60 | 8.0° | 5.0° |
| O1 | C7 | C2 | H5 | 153.1° | 144.0° |
| C7 | N2 | C8 | C60 | 179.0° | 180.0° |
| C7 | N2 | C8 | C9 | 156.4° | 156.1° |
| C7 | N2 | C60 | C10 | 176.5° | 178.1° |
| N2 | C7 | C2 | H5 | 28.4° | 36.1° |
| C7 | N2 | C60 | H82 | 64.5° | 58.8° |
| C7 | N2 | C60 | H81 | 57.4° | 62.5° |
| C7 | N2 | C8 | H14 | 37.5° | 85.0° |
| C7 | N2 | C8 | H13 | 84.6° | 37.2° |
| N2 | C8 | C9 | H14 | 118.9° | 118.9° |
| N2 | C8 | C9 | H13 | 118.9° | 119.0° |
| N2 | C8 | C9 | C10 | 39.8° | 35.8° |
| C8 | N2 | C60 | C10 | 4.4° | 2.0° |
| C8 | N2 | C60 | H82 | 114.6° | 121.3° |
| C8 | N2 | C60 | H81 | 123.5° | 117.4° |
| N2 | C8 | H14 | H13 | 123.0° | 122.3° |
| N2 | C8 | C9 | H15 | 78.8° | 153.8° |
| N2 | C8 | C9 | H16 | 158.4° | 82.3° |
| C8 | C9 | C10 | H15 | 118.6° | 118.0° |
| C8 | C9 | C10 | H16 | 118.6° | 118.1° |
| C8 | C9 | C10 | C11 | 164.3° | 154.9° |
| C8 | C9 | C10 | C60 | 42.6° | 34.1° |
| C9 | C8 | N2 | C60 | 22.6° | 23.9° |
| C8 | C9 | C10 | C59 | 82.9° | 86.5° |
| C9 | C8 | H14 | H13 | 123.0° | 122.2° |
| C8 | C9 | H15 | H16 | 123.9° | 124.0° |
| C9 | C10 | C11 | C60 | 115.2° | 116.3° |
| C9 | C10 | C11 | C59 | 121.9° | 121.5° |
| C9 | C10 | C11 | C12 | 152.6° | 121.0° |
| C9 | C10 | C59 | N3 | 164.0° | 144.5° |
| C9 | C10 | C60 | C59 | 125.2° | 120.4° |
| C9 | C10 | C60 | N2 | 29.2° | 20.9° |
| C9 | C10 | C11 | H17 | 87.9° | 120.1° |
| C9 | C10 | C11 | H18 | 33.0° | 2.4° |
| C9 | C10 | C59 | H79 | 77.3° | 25.8° |
| C9 | C10 | C59 | H80 | 45.3° | 96.6° |
| C9 | C10 | C60 | H82 | 89.9° | 98.4° |
| C9 | C10 | C60 | H81 | 148.2° | 140.3° |
| C10 | C9 | C8 | H14 | 158.7° | 83.1° |
| C10 | C9 | C8 | H13 | 79.2° | 154.8° |
| C10 | C9 | H15 | H16 | 123.9° | 124.0° |
| C10 | C11 | C12 | H17 | 119.6° | 118.9° |
| C10 | C11 | C12 | H18 | 119.6° | 118.7° |
| C10 | C11 | C12 | N3 | 6.1° | 23.7° |
| C11 | C10 | C59 | N3 | 43.9° | 22.9° |
| C11 | C10 | C60 | C59 | 113.8° | 119.1° |
| C11 | C10 | C60 | N2 | 150.1° | 141.4° |
| C10 | C11 | H17 | H18 | 121.4° | 122.5° |
| C10 | C11 | C12 | H19 | 113.0° | 142.4° |
| C10 | C11 | C12 | H20 | 125.2° | 95.1° |
| C11 | C10 | C59 | H79 | 162.6° | 95.8° |
| C11 | C10 | C59 | H80 | 74.7° | 141.8° |
| C11 | C10 | C60 | H82 | 31.1° | 22.1° |
| C11 | C10 | C60 | H81 | 90.8° | 99.2° |
| C11 | C10 | C9 | H15 | 45.7° | 87.0° |
| C11 | C10 | C9 | H16 | 77.1° | 36.9° |
| C11 | C12 | N3 | H19 | 119.1° | 118.8° |
| C11 | C12 | N3 | H20 | 119.1° | 118.8° |
| C11 | C12 | N3 | C13 | 158.5° | 158.4° |
| C11 | C12 | N3 | C59 | 23.0° | 38.7° |
| C12 | C11 | C10 | C60 | 92.2° | 122.6° |
| C12 | C11 | C10 | C59 | 30.7° | 0.4° |
| C12 | C11 | H17 | H18 | 121.3° | 122.3° |
| C11 | C12 | H19 | H20 | 122.7° | 122.4° |
| C12 | N3 | C13 | C59 | 131.5° | 115.7° |
| C12 | N3 | C13 | C14 | 65.4° | 55.8° |
| C12 | N3 | C13 | C56 | 63.1° | 64.2° |
| C12 | N3 | C59 | C10 | 43.1° | 38.3° |
| N3 | C12 | C11 | H17 | 125.7° | 95.1° |
| N3 | C12 | C11 | H18 | 113.5° | 142.4° |
| N3 | C12 | H19 | H20 | 122.7° | 122.4° |
| C12 | N3 | C13 | H21 | 179.9° | 175.8° |
| C12 | N3 | C59 | H79 | 161.8° | 80.4° |
| C12 | N3 | C59 | H80 | 75.6° | 157.1° |
| N3 | C13 | C14 | C56 | 129.2° | 120.0° |
| N3 | C13 | C14 | H21 | 115.1° | 120.0° |
| N3 | C13 | C14 | O2 | 82.6° | 10.8° |
| N3 | C13 | C14 | N4 | 97.0° | 169.2° |
| N3 | C13 | C56 | H21 | 117.2° | 119.9° |
| N3 | C13 | C56 | C57 | 46.1° | 40.0° |
| N3 | C13 | C56 | C58 | 168.4° | 80.0° |
| C13 | N3 | C59 | C10 | 179.4° | 157.9° |
| C13 | N3 | C12 | H19 | 82.4° | 82.8° |
| C13 | N3 | C12 | H20 | 39.4° | 39.6° |
| N3 | C13 | C56 | H72 | 73.6° | 159.9° |
| C13 | N3 | C59 | H79 | 61.9° | 39.3° |
| C13 | N3 | C59 | H80 | 60.7° | 83.3° |
| C13 | C14 | O2 | N4 | 179.6° | 179.9° |
| C13 | C14 | N4 | C15 | 178.2° | 174.0° |
| C14 | C13 | C56 | H21 | 115.9° | 120.0° |
| C14 | C13 | C56 | C57 | 173.0° | 160.0° |
| C14 | C13 | C56 | C58 | 64.7° | 40.0° |
| C14 | C13 | N3 | C59 | 66.1° | 59.9° |
| C14 | C13 | C56 | H72 | 53.4° | 80.0° |
| C13 | C14 | N4 | H22 | 1.8° | 6.1° |
| O2 | C14 | N4 | C15 | 1.4° | 5.9° |
| O2 | C14 | C13 | C56 | 46.6° | 109.2° |
| O2 | C14 | C13 | H21 | 162.4° | 130.7° |
| O2 | C14 | N4 | H22 | 178.6° | 174.0° |
| C14 | N4 | C15 | H22 | 180.0° | 179.9° |
| C14 | N4 | C15 | C16 | 133.0° | 82.2° |
| N4 | C14 | C13 | C56 | 133.8° | 70.8° |
| C14 | N4 | C15 | C55 | 107.8° | 157.1° |
| N4 | C14 | C13 | H21 | 18.0° | 49.2° |
| C14 | N4 | C15 | H23 | 12.7° | 37.5° |
| N4 | C15 | C16 | C55 | 120.0° | 120.2° |
| N4 | C15 | C16 | H23 | 121.0° | 119.6° |
| N4 | C15 | C16 | C17 | 101.3° | 81.4° |
| N4 | C15 | C55 | N10 | 156.6° | 72.6° |
| N4 | C15 | C55 | O6 | 21.9° | 107.5° |
| N4 | C15 | C55 | H23 | 121.2° | 119.6° |
| N4 | C15 | C16 | H24 | 19.3° | 38.3° |
| N4 | C15 | C16 | H25 | 138.1° | 158.9° |
| C15 | C16 | C17 | H24 | 120.6° | 119.7° |
| C15 | C16 | C17 | H25 | 120.5° | 119.8° |
| C15 | C16 | C17 | N5 | 126.2° | 15.9° |
| C16 | C15 | C55 | N10 | 83.5° | 167.2° |
| C16 | C15 | C55 | O6 | 97.9° | 12.7° |
| C16 | C15 | C55 | H23 | 119.0° | 120.2° |
| C15 | C16 | C17 | S1 | 53.9° | 164.0° |
| C15 | C16 | H24 | H25 | 118.3° | 120.5° |
| C16 | C15 | N4 | H22 | 47.0° | 97.9° |
| C16 | C17 | N5 | S1 | 179.9° | 180.0° |
| C16 | C17 | N5 | C18 | 179.5° | 179.5° |
| C16 | C17 | S1 | C19 | 179.6° | 179.6° |
| C17 | C16 | C15 | C55 | 138.8° | 158.4° |
| C17 | C16 | C15 | H23 | 19.7° | 38.2° |
| C17 | C16 | H24 | H25 | 118.3° | 120.4° |
| C17 | N5 | C18 | C19 | 0.3° | 0.2° |
| N5 | C17 | S1 | C19 | 0.3° | 0.4° |
| C17 | N5 | C18 | C20 | 176.8° | 179.4° |
| N5 | C17 | C16 | H24 | 113.2° | 135.7° |
| N5 | C17 | C16 | H25 | 5.7° | 103.8° |
| N5 | C18 | C19 | C20 | 176.3° | 179.6° |
| N5 | C18 | C19 | S1 | 0.0° | 0.1° |
| N5 | C18 | C20 | C21 | 159.0° | 174.1° |
| C18 | N5 | C17 | S1 | 0.4° | 0.5° |
| N5 | C18 | C20 | C25 | 22.7° | 6.2° |
| N5 | C18 | C19 | H26 | 179.9° | 179.9° |
| C18 | C19 | S1 | H26 | 180.0° | 180.0° |
| C19 | C18 | C20 | C21 | 24.9° | 5.4° |
| C18 | C19 | S1 | C17 | 0.2° | 0.3° |
| C19 | C18 | C20 | C25 | 153.4° | 174.3° |
| S1 | C19 | C18 | C20 | 176.3° | 179.7° |
| C18 | C20 | C21 | C25 | 178.3° | 179.7° |
| C18 | C20 | C21 | C22 | 180.0° | 179.2° |
| C18 | C20 | C25 | C24 | 179.0° | 179.7° |
| C20 | C18 | C19 | H26 | 3.6° | 0.3° |
| C18 | C20 | C21 | H27 | 0.0° | 0.8° |
| C18 | C20 | C25 | H29 | 1.0° | 0.3° |
| C20 | C21 | C22 | H27 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.7° | 0.4° |
| C21 | C20 | C25 | C24 | 0.7° | 0.6° |
| C20 | C21 | C22 | H28 | 178.3° | 179.6° |
| C21 | C20 | C25 | H29 | 179.3° | 179.4° |
| C21 | C22 | C23 | H28 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.9° |
| C22 | C21 | C20 | C25 | 1.7° | 1.1° |
| C21 | C22 | C23 | N9 | 178.2° | 178.8° |
| C22 | C23 | C24 | N9 | 179.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.4° | 1.4° |
| C22 | C23 | C24 | C26 | 180.0° | 178.3° |
| C22 | C23 | N9 | C27 | 180.0° | 178.7° |
| C22 | C23 | N9 | C43 | 6.3° | 1.3° |
| C23 | C22 | C21 | H27 | 178.4° | 179.6° |
| C23 | C24 | C25 | C26 | 179.4° | 179.6° |
| C23 | C24 | C26 | C27 | 0.5° | 1.6° |
| C24 | C23 | N9 | C27 | 1.1° | 1.6° |
| C24 | C23 | N9 | C43 | 174.7° | 178.4° |
| C23 | C24 | C26 | C45 | 178.6° | 177.8° |
| C23 | C24 | C25 | C20 | 0.4° | 0.6° |
| C24 | C23 | C22 | H28 | 179.4° | 179.1° |
| C23 | C24 | C25 | H29 | 179.7° | 179.3° |
| C25 | C24 | C26 | C27 | 180.0° | 178.8° |
| C25 | C24 | C26 | C45 | 0.9° | 1.9° |
| C24 | C25 | C20 | H29 | 180.0° | 180.0° |
| C25 | C24 | C23 | N9 | 179.5° | 178.4° |
| C24 | C26 | C27 | C45 | 179.1° | 179.4° |
| C24 | C26 | C27 | C28 | 179.6° | 179.3° |
| C24 | C26 | C27 | N9 | 0.1° | 0.6° |
| C24 | C26 | C45 | C46 | 86.3° | 72.7° |
| C26 | C24 | C25 | C20 | 179.8° | 179.0° |
| C26 | C24 | C23 | N9 | 1.0° | 1.9° |
| C26 | C24 | C25 | H29 | 0.2° | 1.0° |
| C24 | C26 | C45 | H55 | 152.4° | 167.2° |
| C24 | C26 | C45 | H54 | 34.9° | 47.4° |
| C26 | C27 | C28 | N9 | 179.7° | 179.9° |
| C26 | C27 | C28 | C29 | 58.8° | 73.7° |
| C26 | C27 | N9 | C43 | 174.2° | 179.4° |
| C27 | C26 | C45 | C46 | 94.7° | 108.0° |
| C26 | C27 | C28 | C39 | 117.8° | 106.1° |
| C26 | C27 | N9 | C23 | 0.7° | 0.6° |
| C27 | C26 | C45 | H55 | 26.6° | 12.1° |
| C27 | C26 | C45 | H54 | 144.1° | 131.9° |
| C27 | C28 | C29 | C39 | 176.9° | 179.8° |
| C27 | C28 | C29 | C30 | 178.3° | 180.0° |
| C27 | C28 | C39 | N8 | 178.9° | 179.7° |
| C27 | C28 | C39 | C40 | 1.5° | 0.0° |
| C28 | C27 | N9 | C43 | 5.6° | 0.5° |
| C28 | C27 | C26 | C45 | 0.5° | 1.3° |
| C28 | C27 | N9 | C23 | 179.0° | 179.5° |
| C27 | C28 | C29 | H30 | 1.7° | 0.0° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | C30 | N6 | 176.4° | 180.0° |
| C28 | C29 | C30 | C38 | 0.8° | 0.0° |
| C29 | C28 | C39 | N8 | 2.3° | 0.5° |
| C29 | C28 | C39 | C40 | 178.1° | 179.7° |
| C29 | C28 | C27 | N9 | 120.9° | 106.4° |
| C29 | C30 | N6 | C38 | 175.6° | 180.0° |
| C29 | C30 | N6 | C31 | 162.8° | 180.0° |
| C29 | C30 | C38 | N8 | 1.0° | 0.0° |
| C30 | C29 | C28 | C39 | 1.4° | 0.2° |
| C29 | C30 | N6 | C37 | 32.7° | 56.2° |
| C29 | C30 | C38 | H44 | 179.0° | 180.0° |
| C30 | N6 | C31 | C37 | 164.7° | 123.9° |
| C30 | N6 | C31 | C32 | 159.5° | 176.8° |
| C30 | N6 | C37 | C36 | 165.1° | 176.8° |
| N6 | C30 | C38 | N8 | 176.6° | 180.0° |
| N6 | C30 | C29 | H30 | 3.6° | 0.0° |
| C30 | N6 | C31 | H31 | 80.0° | 56.8° |
| C30 | N6 | C31 | H32 | 38.9° | 63.2° |
| C30 | N6 | C37 | H43 | 73.8° | 63.2° |
| C30 | N6 | C37 | H42 | 43.9° | 56.8° |
| N6 | C30 | C38 | H44 | 3.4° | 0.0° |
| N6 | C31 | C32 | H31 | 120.5° | 119.9° |
| N6 | C31 | C32 | H32 | 120.5° | 119.9° |
| N6 | C31 | C32 | N7 | 51.8° | 58.4° |
| C31 | N6 | C37 | C36 | 29.8° | 59.3° |
| C31 | N6 | C30 | C38 | 21.6° | 0.0° |
| N6 | C31 | H31 | H32 | 118.4° | 120.0° |
| N6 | C31 | C32 | H34 | 172.1° | 178.4° |
| N6 | C31 | C32 | H33 | 68.4° | 61.5° |
| C31 | N6 | C37 | H43 | 91.4° | 60.7° |
| C31 | N6 | C37 | H42 | 151.0° | 179.3° |
| C31 | C32 | N7 | H34 | 120.3° | 120.0° |
| C31 | C32 | N7 | H33 | 120.3° | 119.9° |
| C31 | C32 | N7 | C33 | 176.3° | 176.8° |
| C31 | C32 | N7 | C36 | 61.9° | 59.4° |
| C32 | C31 | N6 | C37 | 35.9° | 59.3° |
| C32 | C31 | H31 | H32 | 118.5° | 120.1° |
| C31 | C32 | H34 | H33 | 119.1° | 120.0° |
| C32 | N7 | C33 | C36 | 122.5° | 123.8° |
| C32 | N7 | C33 | C34 | 83.8° | 170.0° |
| C32 | N7 | C36 | C37 | 53.7° | 59.3° |
| C32 | N7 | C33 | C35 | 152.3° | 121.4° |
| N7 | C32 | C31 | H31 | 68.7° | 178.3° |
| N7 | C32 | C31 | H32 | 172.3° | 61.5° |
| N7 | C32 | H34 | H33 | 119.1° | 120.1° |
| C32 | N7 | C33 | H35 | 61.0° | 24.3° |
| C32 | N7 | C36 | H40 | 174.1° | 60.6° |
| C32 | N7 | C36 | H41 | 66.6° | 179.3° |
| N7 | C33 | C34 | C35 | 108.1° | 107.5° |
| N7 | C33 | C34 | H35 | 145.2° | 145.0° |
| C33 | N7 | C36 | C37 | 175.1° | 176.8° |
| N7 | C33 | C35 | H35 | 147.1° | 145.0° |
| C33 | N7 | C32 | H34 | 56.0° | 56.8° |
| C33 | N7 | C32 | H33 | 63.5° | 63.3° |
| N7 | C33 | C34 | H37 | 1.4° | 0.0° |
| N7 | C33 | C34 | H36 | 142.5° | 145.0° |
| N7 | C33 | C35 | H38 | 3.2° | 145.0° |
| N7 | C33 | C35 | H39 | 144.3° | 0.0° |
| C33 | N7 | C36 | H40 | 64.6° | 63.3° |
| C33 | N7 | C36 | H41 | 54.7° | 56.9° |
| C33 | C34 | C35 | H37 | 109.4° | 107.5° |
| C33 | C34 | C35 | H36 | 109.4° | 107.4° |
| C34 | C33 | N7 | C36 | 153.6° | 66.2° |
| C34 | C33 | C35 | H35 | 106.7° | 107.5° |
| C33 | C34 | H37 | H36 | 144.8° | 145.7° |
| C34 | C33 | C35 | H38 | 109.4° | 107.5° |
| C34 | C33 | C35 | H39 | 109.4° | 107.5° |
| C35 | C34 | H37 | H36 | 144.8° | 145.7° |
| C34 | C35 | H38 | H39 | 144.7° | 145.7° |
| N7 | C36 | C37 | H40 | 120.4° | 119.9° |
| N7 | C36 | C37 | H41 | 120.3° | 120.0° |
| N7 | C36 | C37 | N6 | 37.8° | 58.4° |
| C36 | N7 | C33 | C35 | 85.2° | 2.4° |
| C36 | N7 | C32 | H34 | 177.8° | 179.3° |
| C36 | N7 | C32 | H33 | 58.4° | 60.6° |
| C36 | N7 | C33 | H35 | 61.5° | 148.1° |
| N7 | C36 | H40 | H41 | 118.9° | 120.1° |
| N7 | C36 | C37 | H43 | 83.3° | 61.6° |
| N7 | C36 | C37 | H42 | 159.0° | 178.4° |
| C36 | C37 | N6 | H43 | 121.2° | 120.0° |
| C36 | C37 | N6 | H42 | 121.2° | 120.0° |
| C37 | C36 | H40 | H41 | 118.9° | 120.0° |
| C36 | C37 | H43 | H42 | 116.3° | 120.1° |
| C30 | C38 | N8 | H44 | 180.0° | 179.9° |
| C30 | C38 | N8 | C39 | 1.7° | 0.3° |
| C38 | C30 | N6 | C37 | 142.8° | 123.8° |
| C38 | C30 | C29 | H30 | 179.2° | 180.0° |
| C38 | N8 | C39 | C40 | 178.0° | 179.7° |
| C38 | N8 | C39 | C28 | 2.4° | 0.6° |
| N8 | C39 | C40 | C28 | 179.6° | 179.7° |
| N8 | C39 | C40 | C41 | 50.8° | 55.0° |
| N8 | C39 | C40 | O3 | 72.1° | 65.0° |
| C39 | N8 | C38 | H44 | 178.3° | 179.7° |
| N8 | C39 | C40 | H45 | 168.8° | 175.0° |
| C39 | C40 | C41 | O3 | 123.1° | 120.0° |
| C39 | C40 | C41 | H45 | 118.1° | 120.0° |
| C39 | C40 | O3 | H45 | 118.4° | 120.0° |
| C39 | C40 | O3 | C42 | 159.2° | 155.0° |
| C39 | C40 | C41 | H46 | 180.0° | 178.0° |
| C39 | C40 | C41 | H47 | 60.0° | 58.0° |
| C39 | C40 | C41 | H48 | 60.0° | 62.0° |
| C41 | C40 | O3 | H45 | 118.1° | 120.0° |
| C41 | C40 | O3 | C42 | 77.2° | 85.0° |
| C41 | C40 | C39 | C28 | 129.6° | 125.3° |
| C40 | C41 | H46 | H47 | 120.0° | 120.0° |
| C40 | C41 | H46 | H48 | 120.0° | 119.9° |
| C40 | C41 | H47 | H48 | 120.0° | 120.0° |
| O3 | C40 | C39 | C28 | 107.5° | 114.7° |
| O3 | C40 | C41 | H46 | 56.8° | 58.0° |
| O3 | C40 | C41 | H47 | 63.1° | 62.0° |
| O3 | C40 | C41 | H48 | 176.9° | 178.0° |
| C40 | O3 | C42 | H49 | 180.0° | 175.0° |
| C40 | O3 | C42 | H51 | 60.0° | 65.0° |
| C40 | O3 | C42 | H50 | 60.0° | 55.1° |
| C42 | O3 | C40 | H45 | 40.8° | 35.0° |
| O3 | C42 | H49 | H51 | 120.0° | 120.1° |
| O3 | C42 | H49 | H50 | 120.0° | 119.9° |
| O3 | C42 | H51 | H50 | 120.0° | 120.0° |
| C27 | N9 | C43 | C23 | 172.5° | 180.0° |
| C27 | N9 | C43 | C44 | 88.2° | 90.0° |
| N9 | C27 | C26 | C45 | 179.3° | 178.7° |
| N9 | C27 | C28 | C39 | 62.5° | 73.8° |
| C27 | N9 | C43 | H53 | 31.7° | 150.1° |
| C27 | N9 | C43 | H52 | 152.0° | 30.0° |
| N9 | C43 | C44 | H53 | 119.8° | 120.0° |
| N9 | C43 | C44 | H52 | 119.8° | 119.9° |
| N9 | C43 | C44 | F1 | 58.4° | 60.0° |
| N9 | C43 | C44 | F2 | 60.9° | 180.0° |
| N9 | C43 | C44 | F3 | 178.8° | 60.0° |
| N9 | C43 | H53 | H52 | 120.5° | 120.0° |
| C43 | C44 | F1 | F2 | 123.2° | 119.9° |
| C43 | C44 | F1 | F3 | 122.9° | 120.0° |
| C43 | C44 | F2 | F3 | 122.9° | 120.0° |
| C44 | C43 | N9 | C23 | 84.3° | 90.1° |
| C44 | C43 | H53 | H52 | 120.5° | 120.1° |
| F1 | C44 | F2 | F3 | 113.9° | 120.0° |
| F1 | C44 | C43 | H53 | 178.3° | 180.0° |
| F1 | C44 | C43 | H52 | 61.4° | 59.9° |
| F2 | C44 | C43 | H53 | 58.9° | 60.0° |
| F2 | C44 | C43 | H52 | 179.3° | 60.0° |
| F3 | C44 | C43 | H53 | 61.4° | 60.0° |
| F3 | C44 | C43 | H52 | 59.0° | 179.9° |
| C26 | C45 | C46 | H55 | 121.2° | 120.1° |
| C26 | C45 | C46 | H54 | 121.2° | 120.1° |
| C26 | C45 | C46 | C47 | 59.4° | 52.4° |
| C26 | C45 | C46 | C48 | 177.6° | 67.7° |
| C26 | C45 | C46 | C49 | 62.5° | 172.3° |
| C26 | C45 | H55 | H54 | 116.0° | 119.8° |
| C45 | C46 | C47 | C48 | 117.2° | 120.1° |
| C45 | C46 | C47 | C49 | 123.4° | 119.8° |
| C45 | C46 | C48 | C49 | 121.0° | 119.8° |
| C45 | C46 | C49 | O4 | 67.4° | 92.3° |
| C46 | C45 | H55 | H54 | 116.1° | 119.8° |
| C45 | C46 | C47 | H56 | 180.0° | 56.5° |
| C45 | C46 | C47 | H57 | 60.0° | 176.6° |
| C45 | C46 | C47 | H58 | 60.0° | 63.4° |
| C45 | C46 | C48 | H59 | 180.0° | 64.6° |
| C45 | C46 | C48 | H60 | 60.0° | 175.4° |
| C45 | C46 | C48 | H61 | 60.0° | 55.4° |
| C45 | C46 | C49 | H63 | 52.5° | 147.7° |
| C45 | C46 | C49 | H62 | 172.8° | 27.7° |
| C47 | C46 | C48 | C49 | 118.8° | 120.1° |
| C47 | C46 | C49 | O4 | 169.2° | 27.7° |
| C47 | C46 | C45 | H55 | 61.8° | 172.5° |
| C47 | C46 | C45 | H54 | 179.4° | 67.7° |
| C46 | C47 | H56 | H57 | 120.0° | 120.0° |
| C46 | C47 | H56 | H58 | 120.0° | 120.0° |
| C46 | C47 | H57 | H58 | 120.0° | 120.0° |
| C47 | C46 | C48 | H59 | 59.8° | 175.3° |
| C47 | C46 | C48 | H60 | 60.3° | 55.3° |
| C47 | C46 | C48 | H61 | 179.8° | 64.7° |
| C47 | C46 | C49 | H63 | 71.0° | 92.3° |
| C47 | C46 | C49 | H62 | 49.3° | 147.6° |
| C48 | C46 | C49 | O4 | 50.7° | 147.8° |
| C48 | C46 | C45 | H55 | 56.3° | 52.4° |
| C48 | C46 | C45 | H54 | 61.2° | 172.2° |
| C48 | C46 | C47 | H56 | 62.8° | 63.5° |
| C48 | C46 | C47 | H57 | 177.2° | 56.5° |
| C48 | C46 | C47 | H58 | 57.2° | 176.5° |
| C46 | C48 | H59 | H60 | 120.0° | 120.0° |
| C46 | C48 | H59 | H61 | 120.0° | 120.0° |
| C46 | C48 | H60 | H61 | 120.0° | 120.0° |
| C48 | C46 | C49 | H63 | 170.5° | 27.8° |
| C48 | C46 | C49 | H62 | 69.1° | 92.3° |
| C46 | C49 | O4 | H63 | 119.8° | 120.0° |
| C46 | C49 | O4 | H62 | 119.8° | 120.0° |
| C46 | C49 | O4 | C50 | 170.2° | 170.3° |
| C49 | C46 | C45 | H55 | 176.3° | 67.6° |
| C49 | C46 | C45 | H54 | 58.7° | 52.2° |
| C49 | C46 | C47 | H56 | 56.6° | 176.4° |
| C49 | C46 | C47 | H57 | 63.5° | 63.6° |
| C49 | C46 | C47 | H58 | 176.6° | 56.4° |
| C49 | C46 | C48 | H59 | 59.0° | 55.2° |
| C49 | C46 | C48 | H60 | 179.0° | 64.8° |
| C49 | C46 | C48 | H61 | 61.0° | 175.2° |
| C46 | C49 | H63 | H62 | 120.5° | 120.1° |
| C49 | O4 | C50 | O5 | 7.7° | 1.0° |
| C49 | O4 | C50 | C51 | 171.7° | 179.1° |
| O4 | C49 | H63 | H62 | 120.5° | 120.0° |
| O4 | C50 | O5 | C51 | 179.3° | 179.9° |
| O4 | C50 | C51 | C52 | 69.3° | 157.8° |
| O4 | C50 | C51 | N11 | 171.0° | 37.5° |
| C50 | O4 | C49 | H63 | 70.0° | 50.3° |
| C50 | O4 | C49 | H62 | 50.3° | 69.8° |
| O4 | C50 | C51 | H64 | 49.9° | 81.4° |
| O5 | C50 | C51 | C52 | 110.1° | 22.3° |
| O5 | C50 | C51 | N11 | 9.6° | 142.6° |
| O5 | C50 | C51 | H64 | 130.7° | 98.5° |
| C50 | C51 | C52 | N11 | 118.7° | 119.7° |
| C50 | C51 | C52 | H64 | 119.4° | 120.5° |
| C50 | C51 | C52 | C53 | 171.5° | 156.8° |
| C50 | C51 | N11 | N10 | 170.2° | 174.3° |
| C50 | C51 | N11 | H64 | 120.6° | 119.2° |
| C50 | C51 | C52 | H65 | 51.2° | 36.2° |
| C50 | C51 | C52 | H66 | 68.2° | 82.6° |
| C50 | C51 | N11 | H71 | 49.6° | 62.1° |
| C51 | C52 | C53 | H65 | 120.3° | 120.6° |
| C51 | C52 | C53 | H66 | 120.3° | 120.6° |
| C51 | C52 | C53 | C54 | 54.8° | 21.8° |
| C52 | C51 | N11 | N10 | 52.1° | 65.3° |
| C52 | C51 | N11 | H64 | 121.3° | 120.3° |
| C51 | C52 | H65 | H66 | 119.3° | 118.9° |
| C51 | C52 | C53 | H68 | 175.1° | 98.6° |
| C51 | C52 | C53 | H67 | 65.4° | 142.2° |
| C52 | C51 | N11 | H71 | 68.5° | 58.4° |
| C52 | C53 | C54 | H68 | 120.2° | 120.4° |
| C52 | C53 | C54 | H67 | 120.2° | 120.3° |
| C52 | C53 | C54 | N10 | 52.8° | 56.9° |
| C53 | C52 | C51 | N11 | 52.8° | 37.1° |
| C53 | C52 | C51 | H64 | 69.2° | 82.7° |
| C53 | C52 | H65 | H66 | 119.3° | 118.9° |
| C52 | C53 | H68 | H67 | 119.3° | 119.2° |
| C52 | C53 | C54 | H70 | 66.9° | 176.5° |
| C52 | C53 | C54 | H69 | 172.6° | 62.9° |
| C53 | C54 | N10 | H70 | 119.8° | 119.7° |
| C53 | C54 | N10 | H69 | 119.7° | 119.7° |
| C53 | C54 | N10 | N11 | 54.7° | 31.8° |
| C53 | C54 | N10 | C55 | 122.2° | 148.3° |
| C54 | C53 | C52 | H65 | 65.4° | 142.4° |
| C54 | C53 | C52 | H66 | 175.1° | 98.8° |
| C54 | C53 | H68 | H67 | 119.3° | 119.3° |
| C53 | C54 | H70 | H69 | 120.8° | 120.4° |
| C54 | N10 | N11 | C55 | 177.0° | 179.9° |
| C54 | N10 | C55 | O6 | 0.4° | 2.3° |
| C54 | N10 | C55 | C15 | 178.9° | 177.8° |
| C54 | N10 | N11 | C51 | 55.7° | 28.6° |
| N10 | C54 | C53 | H68 | 173.0° | 63.5° |
| N10 | C54 | C53 | H67 | 67.4° | 177.2° |
| N10 | C54 | H70 | H69 | 120.8° | 120.5° |
| C54 | N10 | N11 | H71 | 64.8° | 95.0° |
| N11 | N10 | C55 | O6 | 177.2° | 177.6° |
| N11 | N10 | C55 | C15 | 4.3° | 2.3° |
| N10 | N11 | C51 | H71 | 120.6° | 123.6° |
| N10 | N11 | C51 | H64 | 69.2° | 55.0° |
| N11 | N10 | C54 | H70 | 65.0° | 151.4° |
| N11 | N10 | C54 | H69 | 174.4° | 87.9° |
| N10 | C55 | O6 | C15 | 178.4° | 179.9° |
| C55 | N10 | N11 | C51 | 121.3° | 151.3° |
| N10 | C55 | C15 | H23 | 35.5° | 47.0° |
| C55 | N10 | C54 | H70 | 118.1° | 28.6° |
| C55 | N10 | C54 | H69 | 2.5° | 92.0° |
| C55 | N10 | N11 | H71 | 118.1° | 85.0° |
| O6 | C55 | C15 | H23 | 143.0° | 132.9° |
| C13 | C56 | C57 | C58 | 121.6° | 120.0° |
| C13 | C56 | C57 | H72 | 119.6° | 120.0° |
| C13 | C56 | C58 | H72 | 118.0° | 120.0° |
| C56 | C13 | N3 | C59 | 165.4° | 179.9° |
| C13 | C56 | C57 | H74 | 180.0° | 180.0° |
| C13 | C56 | C57 | H75 | 60.0° | 60.0° |
| C13 | C56 | C57 | H73 | 60.0° | 60.0° |
| C13 | C56 | C58 | H77 | 180.0° | 58.0° |
| C13 | C56 | C58 | H76 | 60.0° | 178.0° |
| C13 | C56 | C58 | H78 | 60.0° | 62.0° |
| C57 | C56 | C58 | H72 | 118.9° | 119.9° |
| C57 | C56 | C13 | H21 | 71.1° | 79.9° |
| C56 | C57 | H74 | H75 | 120.0° | 120.1° |
| C56 | C57 | H74 | H73 | 120.0° | 120.0° |
| C56 | C57 | H75 | H73 | 120.0° | 120.0° |
| C57 | C56 | C58 | H77 | 56.9° | 178.1° |
| C57 | C56 | C58 | H76 | 176.9° | 61.9° |
| C57 | C56 | C58 | H78 | 63.1° | 58.1° |
| C58 | C56 | C13 | H21 | 51.2° | 160.0° |
| C58 | C56 | C57 | H74 | 58.4° | 60.0° |
| C58 | C56 | C57 | H75 | 61.6° | 180.0° |
| C58 | C56 | C57 | H73 | 178.4° | 60.0° |
| C56 | C58 | H77 | H76 | 120.0° | 120.0° |
| C56 | C58 | H77 | H78 | 120.0° | 120.0° |
| C56 | C58 | H76 | H78 | 120.0° | 120.0° |
| N3 | C59 | C10 | C60 | 77.5° | 99.3° |
| N3 | C59 | C10 | H79 | 118.7° | 118.7° |
| N3 | C59 | C10 | H80 | 118.7° | 118.9° |
| C59 | N3 | C12 | H19 | 142.1° | 157.5° |
| C59 | N3 | C12 | H20 | 96.0° | 80.1° |
| C59 | N3 | C13 | H21 | 48.7° | 60.2° |
| N3 | C59 | H79 | H80 | 123.7° | 122.7° |
| C10 | C60 | N2 | H82 | 119.0° | 119.3° |
| C10 | C60 | N2 | H81 | 119.1° | 119.4° |
| C60 | C10 | C11 | H17 | 27.3° | 3.8° |
| C60 | C10 | C11 | H18 | 148.2° | 118.7° |
| C60 | C10 | C59 | H79 | 41.2° | 142.0° |
| C60 | C10 | C59 | H80 | 163.8° | 19.6° |
| C10 | C60 | H82 | H81 | 122.8° | 121.3° |
| C60 | C10 | C9 | H15 | 76.0° | 152.2° |
| C60 | C10 | C9 | H16 | 161.3° | 83.9° |
| C6 | C4 | C3 | H6 | 24.5° | 3.1° |
| C6 | C4 | C3 | H7 | 143.6° | 123.2° |
| C4 | C6 | H12 | H11 | 144.7° | 145.7° |
| N2 | C60 | C10 | C59 | 96.0° | 99.5° |
| N2 | C60 | H82 | H81 | 122.7° | 121.3° |
| C60 | N2 | C8 | H14 | 141.5° | 95.0° |
| C60 | N2 | C8 | H13 | 96.4° | 142.9° |
| C59 | C10 | C11 | H17 | 150.3° | 118.4° |
| C59 | C10 | C11 | H18 | 88.8° | 119.1° |
| C10 | C59 | H79 | H80 | 123.8° | 122.4° |
| C59 | C10 | C60 | H82 | 144.9° | 141.2° |
| C59 | C10 | C60 | H81 | 23.0° | 19.9° |
| C59 | C10 | C9 | H15 | 158.5° | 31.5° |
| C59 | C10 | C9 | H16 | 35.7° | 155.4° |
| C55 | C15 | C16 | H24 | 100.7° | 81.9° |
| C55 | C15 | C16 | H25 | 18.2° | 38.7° |
| C55 | C15 | N4 | H22 | 72.2° | 22.8° |
| S1 | C17 | C16 | H24 | 66.7° | 44.3° |
| S1 | C17 | C16 | H25 | 174.4° | 76.2° |
| C17 | S1 | C19 | H26 | 179.9° | 179.7° |
| C25 | C20 | C21 | H27 | 178.3° | 178.8° |
| C39 | C28 | C29 | H30 | 178.6° | 179.8° |
| C28 | C39 | C40 | H45 | 11.6° | 5.3° |
| N11 | C51 | C52 | H65 | 67.4° | 83.5° |
| N11 | C51 | C52 | H66 | 173.1° | 157.7° |
| N9 | C23 | C22 | H28 | 1.8° | 1.2° |
| C23 | N9 | C43 | H53 | 155.8° | 29.9° |
| C23 | N9 | C43 | H52 | 35.5° | 150.0° |
| C37 | N6 | C31 | H31 | 84.6° | 179.3° |
| C37 | N6 | C31 | H32 | 156.4° | 60.7° |
| N6 | C37 | C36 | H40 | 158.2° | 61.5° |
| N6 | C37 | C36 | H41 | 82.5° | 178.4° |
| N6 | C37 | H43 | H42 | 116.3° | 120.0° |
| C33 | C35 | H38 | H39 | 144.8° | 145.7° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H3 | C1 | N1 | H4 | 59.7° | 178.2° |
| H1 | C1 | N1 | H4 | 60.3° | 58.2° |
| H2 | C1 | N1 | H4 | 179.7° | 61.8° |
| H17 | C11 | C12 | H19 | 6.6° | 23.6° |
| H17 | C11 | C12 | H20 | 115.3° | 146.0° |
| H18 | C11 | C12 | H19 | 127.4° | 98.8° |
| H18 | C11 | C12 | H20 | 5.6° | 23.6° |
| H21 | C13 | C56 | H72 | 169.3° | 40.0° |
| H23 | C15 | C16 | H24 | 140.2° | 157.9° |
| H23 | C15 | C16 | H25 | 100.9° | 81.5° |
| H23 | C15 | N4 | H22 | 167.3° | 142.4° |
| H5 | C2 | C3 | H6 | 60.8° | 64.8° |
| H5 | C2 | C3 | H7 | 58.2° | 175.2° |
| H5 | C2 | N1 | H4 | 152.4° | 47.6° |
| H27 | C21 | C22 | H28 | 1.6° | 0.4° |
| H6 | C3 | C4 | H8 | 169.4° | 148.8° |
| H7 | C3 | C4 | H8 | 71.6° | 91.1° |
| H31 | C31 | C32 | H34 | 51.6° | 61.7° |
| H31 | C31 | C32 | H33 | 171.0° | 58.4° |
| H32 | C31 | C32 | H34 | 67.4° | 58.5° |
| H32 | C31 | C32 | H33 | 52.1° | 178.5° |
| H35 | C33 | C34 | H37 | 143.9° | 145.0° |
| H35 | C33 | C34 | H36 | 2.7° | 0.0° |
| H35 | C33 | C35 | H38 | 143.9° | 0.0° |
| H35 | C33 | C35 | H39 | 2.8° | 145.0° |
| H37 | C34 | C35 | H38 | 0.0° | 145.0° |
| H37 | C34 | C35 | H39 | 141.1° | 0.0° |
| H36 | C34 | C35 | H38 | 141.1° | 0.0° |
| H36 | C34 | C35 | H39 | 0.0° | 145.0° |
| H40 | C36 | C37 | H43 | 37.0° | 178.5° |
| H40 | C36 | C37 | H42 | 80.6° | 58.4° |
| H41 | C36 | C37 | H43 | 156.3° | 58.4° |
| H41 | C36 | C37 | H42 | 38.7° | 61.6° |
| H8 | C4 | C5 | H10 | 144.7° | 144.9° |
| H8 | C4 | C5 | H9 | 3.7° | 0.0° |
| H8 | C4 | C6 | H12 | 144.7° | 0.0° |
| H8 | C4 | C6 | H11 | 3.7° | 145.0° |
| H45 | C40 | C41 | H46 | 62.0° | 62.0° |
| H45 | C40 | C41 | H47 | 178.1° | 178.0° |
| H45 | C40 | C41 | H48 | 58.1° | 58.0° |
| H46 | C41 | H47 | H48 | 120.0° | 120.1° |
| H49 | C42 | H51 | H50 | 120.0° | 120.0° |
| H56 | C47 | H57 | H58 | 120.0° | 120.0° |
| H59 | C48 | H60 | H61 | 119.9° | 120.0° |
| H10 | C5 | C6 | H12 | 0.1° | 145.0° |
| H10 | C5 | C6 | H11 | 141.1° | 0.0° |
| H9 | C5 | C6 | H12 | 141.0° | 0.1° |
| H9 | C5 | C6 | H11 | 0.0° | 145.1° |
| H64 | C51 | C52 | H65 | 170.6° | 156.8° |
| H64 | C51 | C52 | H66 | 51.1° | 37.9° |
| H64 | C51 | N11 | H71 | 170.2° | 178.7° |
| H65 | C52 | C53 | H68 | 54.8° | 22.0° |
| H65 | C52 | C53 | H67 | 174.4° | 97.2° |
| H66 | C52 | C53 | H68 | 64.7° | 140.8° |
| H66 | C52 | C53 | H67 | 54.9° | 21.6° |
| H68 | C53 | C54 | H70 | 53.3° | 56.2° |
| H68 | C53 | C54 | H69 | 67.2° | 176.7° |
| H67 | C53 | C54 | H70 | 172.9° | 63.1° |
| H67 | C53 | C54 | H69 | 52.4° | 57.4° |
| H72 | C56 | C57 | H74 | 60.4° | 60.0° |
| H72 | C56 | C57 | H75 | 179.6° | 60.0° |
| H72 | C56 | C57 | H73 | 59.6° | 180.0° |
| H72 | C56 | C58 | H77 | 62.0° | 62.0° |
| H72 | C56 | C58 | H76 | 58.1° | 58.0° |
| H72 | C56 | C58 | H78 | 178.0° | 178.0° |
| H74 | C57 | H75 | H73 | 120.0° | 119.9° |
| H77 | C58 | H76 | H78 | 120.0° | 120.0° |
| H14 | C8 | C9 | H15 | 40.1° | 34.9° |
| H14 | C8 | C9 | H16 | 82.7° | 158.9° |
| H13 | C8 | C9 | H15 | 162.2° | 87.2° |
| H13 | C8 | C9 | H16 | 39.5° | 36.7° |
