A1BEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.49Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C5 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | N3 | sing | 1.48Å | 1.47Å | |
| N3 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C11 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C15 | sing | 1.47Å | 1.49Å | |
| N3 | C16 | sing | 1.48Å | 1.47Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C3 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | N5 | doub | 1.29Å | 1.30Å | Aromatic |
| N5 | C23 | sing | 1.33Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.35Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C23 | C25 | sing | 1.48Å | 1.47Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.41Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.38Å | Aromatic |
| C28 | N6 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | F1 | sing | 1.40Å | 1.33Å | |
| C32 | F2 | sing | 1.40Å | 1.34Å | |
| C32 | F3 | sing | 1.40Å | 1.34Å | |
| N6 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.48Å | 1.47Å | |
| C34 | C35 | doub | 1.40Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C38 | sing | 1.43Å | 1.43Å | |
| C35 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C39 | doub | 1.32Å | 1.34Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | N8 | sing | 1.40Å | 1.37Å | |
| N8 | C41 | sing | 1.47Å | 1.47Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C42 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C43 | sing | 1.47Å | 1.45Å | |
| C43 | C44 | sing | 1.53Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.49Å | |
| N9 | C46 | sing | 1.47Å | 1.47Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C40 | C48 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C49 | doub | 1.36Å | 1.39Å | Aromatic |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | C54 | sing | 1.53Å | 1.52Å | |
| C54 | O4 | sing | 1.45Å | 1.45Å | |
| O4 | C55 | sing | 1.34Å | 1.33Å | |
| C55 | O5 | doub | 1.21Å | 1.21Å | |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C56 | C57 | sing | 1.52Å | 1.54Å | |
| C57 | C58 | sing | 1.52Å | 1.52Å | |
| C58 | C59 | sing | 1.53Å | 1.51Å | |
| C59 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C60 | sing | 1.35Å | 1.37Å | |
| C60 | O6 | doub | 1.21Å | 1.22Å | |
| N10 | N11 | sing | 1.37Å | 1.41Å | |
| C1 | C60 | sing | 1.51Å | 1.52Å | |
| N2 | C7 | sing | 1.49Å | 1.48Å | |
| C10 | N4 | sing | 1.47Å | 1.48Å | |
| C22 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C56 | N11 | sing | 1.47Å | 1.46Å | |
| C5 | C17 | sing | 1.53Å | 1.54Å | |
| C27 | C49 | sing | 1.46Å | 1.43Å | Aromatic |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| N8 | C47 | sing | 1.47Å | 1.47Å | |
| C43 | C45 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H62 | sing | 1.08Å | 1.08Å | |
| C50 | H64 | sing | 1.09Å | 1.10Å | |
| C50 | H63 | sing | 1.09Å | 1.10Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C56 | H73 | sing | 1.09Å | 1.10Å | |
| C57 | H74 | sing | 1.09Å | 1.10Å | |
| C57 | H75 | sing | 1.09Å | 1.10Å | |
| C58 | H77 | sing | 1.09Å | 1.10Å | |
| C58 | H76 | sing | 1.09Å | 1.10Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C59 | H78 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N11 | H80 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 122.2° | 120.0° |
| N1 | C1 | C21 | 110.9° | 109.3° |
| N1 | C1 | C60 | 109.8° | 109.3° |
| N1 | C1 | H1 | 109.3° | 109.3° |
| C1 | N1 | H2 | 118.8° | 120.0° |
| N1 | C2 | C3 | 115.1° | 120.0° |
| N1 | C2 | O2 | 123.3° | 120.1° |
| C2 | N1 | H2 | 118.9° | 120.0° |
| C2 | C3 | N2 | 111.3° | 109.5° |
| C2 | C3 | C18 | 112.1° | 109.5° |
| C3 | C2 | O2 | 121.6° | 119.9° |
| C2 | C3 | H3 | 106.3° | 109.5° |
| C3 | N2 | C4 | 116.5° | 111.0° |
| N2 | C3 | C18 | 113.2° | 109.5° |
| C3 | N2 | C7 | 118.3° | 111.0° |
| N2 | C3 | H3 | 107.1° | 109.5° |
| N2 | C4 | C5 | 100.0° | 104.3° |
| C4 | N2 | C7 | 106.9° | 104.4° |
| N2 | C4 | H4 | 111.8° | 110.5° |
| N2 | C4 | H5 | 111.8° | 110.6° |
| C4 | C5 | C6 | 101.3° | 106.4° |
| C4 | C5 | C8 | 114.0° | 111.4° |
| C4 | C5 | C17 | 115.7° | 111.6° |
| C5 | C4 | H4 | 111.7° | 110.5° |
| C5 | C4 | H5 | 111.8° | 110.5° |
| C5 | C6 | C7 | 104.7° | 104.6° |
| C6 | C5 | C8 | 113.3° | 111.5° |
| C6 | C5 | C17 | 112.2° | 111.7° |
| C5 | C6 | H6 | 110.7° | 110.4° |
| C5 | C6 | H7 | 110.7° | 110.4° |
| C6 | C7 | N2 | 104.6° | 104.6° |
| C7 | C6 | H6 | 110.6° | 110.4° |
| C7 | C6 | H7 | 110.7° | 110.4° |
| C6 | C7 | H8 | 110.7° | 110.4° |
| C6 | C7 | H9 | 110.7° | 110.4° |
| C5 | C8 | N3 | 103.0° | 103.1° |
| C8 | C5 | C17 | 101.0° | 104.3° |
| C5 | C8 | H11 | 111.1° | 110.7° |
| C5 | C8 | H10 | 111.1° | 110.7° |
| C8 | N3 | C9 | 124.5° | 126.9° |
| C8 | N3 | C16 | 110.8° | 106.2° |
| N3 | C8 | H11 | 111.1° | 110.7° |
| N3 | C8 | H10 | 111.1° | 110.7° |
| N3 | C9 | O1 | 121.4° | 120.0° |
| N3 | C9 | C10 | 117.9° | 120.0° |
| C9 | N3 | C16 | 124.8° | 126.9° |
| O1 | C9 | C10 | 120.7° | 120.0° |
| C9 | C10 | C11 | 115.9° | 117.6° |
| C9 | C10 | N4 | 122.5° | 117.6° |
| C9 | C10 | H12 | 115.6° | 115.8° |
| C10 | C11 | C12 | 122.0° | 117.6° |
| C10 | C11 | N4 | 59.4° | 58.6° |
| C11 | C10 | N4 | 59.7° | 58.6° |
| C11 | C10 | H12 | 115.4° | 117.6° |
| C10 | C11 | H13 | 117.7° | 117.7° |
| C11 | C12 | C13 | 119.2° | 117.5° |
| C12 | C11 | N4 | 106.5° | 117.6° |
| C11 | C12 | C14 | 118.2° | 117.5° |
| C12 | C11 | H13 | 117.7° | 115.6° |
| C11 | C12 | H14 | 116.0° | 115.6° |
| C12 | C13 | C14 | 60.2° | 60.0° |
| C13 | C12 | C14 | 59.7° | 60.0° |
| C13 | C12 | H14 | 116.0° | 117.5° |
| C12 | C13 | H16 | 120.0° | 117.5° |
| C12 | C13 | H15 | 120.0° | 117.5° |
| C13 | C14 | C12 | 60.1° | 60.0° |
| C14 | C13 | H16 | 120.0° | 117.5° |
| C14 | C13 | H15 | 120.0° | 117.5° |
| C13 | C14 | H18 | 120.0° | 117.5° |
| C13 | C14 | H17 | 120.0° | 117.5° |
| C11 | N4 | C15 | 116.2° | 111.0° |
| C11 | N4 | C10 | 61.0° | 62.8° |
| N4 | C11 | H13 | 118.0° | 117.8° |
| C15 | N4 | C10 | 114.9° | 111.0° |
| N4 | C15 | H21 | 109.5° | 109.5° |
| N4 | C15 | H19 | 109.4° | 109.5° |
| N4 | C15 | H20 | 109.5° | 109.4° |
| N3 | C16 | C17 | 103.4° | 107.0° |
| N3 | C16 | H22 | 111.0° | 109.9° |
| N3 | C16 | H23 | 111.0° | 110.1° |
| C16 | C17 | C5 | 101.0° | 104.7° |
| C17 | C16 | H22 | 111.0° | 109.9° |
| C17 | C16 | H23 | 110.9° | 109.9° |
| C16 | C17 | H24 | 111.5° | 110.4° |
| C16 | C17 | H25 | 111.5° | 110.4° |
| C3 | C18 | C19 | 110.5° | 109.5° |
| C3 | C18 | C20 | 110.1° | 109.5° |
| C3 | C18 | H26 | 108.9° | 109.5° |
| C18 | C3 | H3 | 106.3° | 109.5° |
| C19 | C18 | C20 | 109.1° | 109.5° |
| C19 | C18 | H26 | 109.0° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H27 | 109.5° | 109.5° |
| C20 | C18 | H26 | 109.0° | 109.5° |
| C18 | C20 | H31 | 109.5° | 109.5° |
| C18 | C20 | H30 | 109.5° | 109.4° |
| C18 | C20 | H32 | 109.4° | 109.4° |
| C1 | C21 | C22 | 112.1° | 108.7° |
| C21 | C1 | C60 | 110.1° | 110.2° |
| C21 | C1 | H1 | 108.3° | 109.4° |
| C1 | C21 | H33 | 108.8° | 109.6° |
| C1 | C21 | H34 | 108.8° | 109.6° |
| C21 | C22 | N5 | 122.5° | 123.9° |
| C21 | C22 | S1 | 122.5° | 125.5° |
| C22 | C21 | H33 | 108.8° | 109.6° |
| C22 | C21 | H34 | 108.8° | 109.6° |
| C22 | N5 | C23 | 110.2° | 117.0° |
| N5 | C22 | S1 | 115.0° | 110.6° |
| N5 | C23 | C24 | 114.7° | 114.1° |
| N5 | C23 | C25 | 118.5° | 122.3° |
| C23 | C24 | S1 | 111.0° | 107.9° |
| C24 | C23 | C25 | 126.7° | 123.6° |
| C23 | C24 | H35 | 124.5° | 126.1° |
| C24 | S1 | C22 | 89.1° | 90.4° |
| S1 | C24 | H35 | 124.5° | 126.1° |
| C23 | C25 | C26 | 119.4° | 119.6° |
| C23 | C25 | C30 | 121.0° | 120.3° |
| C25 | C26 | C27 | 119.6° | 119.4° |
| C26 | C25 | C30 | 119.6° | 120.1° |
| C25 | C26 | H36 | 120.2° | 120.3° |
| C26 | C27 | C28 | 119.4° | 119.9° |
| C26 | C27 | C49 | 132.9° | 133.7° |
| C27 | C26 | H36 | 120.2° | 120.3° |
| C27 | C28 | C29 | 121.5° | 119.6° |
| C27 | C28 | N6 | 108.0° | 107.3° |
| C28 | C27 | C49 | 107.7° | 106.3° |
| C28 | C29 | C30 | 117.7° | 120.2° |
| C29 | C28 | N6 | 130.5° | 133.0° |
| C28 | C29 | H37 | 121.2° | 119.9° |
| C29 | C30 | C25 | 122.1° | 120.8° |
| C30 | C29 | H37 | 121.1° | 119.9° |
| C29 | C30 | H38 | 118.9° | 119.7° |
| C28 | N6 | C31 | 123.9° | 125.1° |
| C28 | N6 | C33 | 108.4° | 109.8° |
| N6 | C31 | C32 | 108.5° | 109.4° |
| C31 | N6 | C33 | 126.7° | 125.0° |
| N6 | C31 | H40 | 109.7° | 109.4° |
| N6 | C31 | H39 | 109.7° | 109.5° |
| C31 | C32 | F1 | 111.9° | 109.5° |
| C31 | C32 | F2 | 112.7° | 109.5° |
| C31 | C32 | F3 | 112.2° | 109.5° |
| C32 | C31 | H40 | 109.7° | 109.5° |
| C32 | C31 | H39 | 109.7° | 109.5° |
| F1 | C32 | F2 | 106.0° | 109.5° |
| F1 | C32 | F3 | 107.1° | 109.4° |
| F2 | C32 | F3 | 106.4° | 109.4° |
| N6 | C33 | C34 | 125.0° | 125.2° |
| N6 | C33 | C49 | 108.9° | 109.5° |
| C33 | C34 | C35 | 123.1° | 120.5° |
| C34 | C33 | C49 | 126.1° | 125.2° |
| C33 | C34 | C48 | 118.6° | 120.5° |
| C34 | C35 | C36 | 122.8° | 119.6° |
| C34 | C35 | N7 | 121.3° | 120.7° |
| C35 | C34 | C48 | 118.2° | 119.0° |
| C35 | C36 | C37 | 111.2° | 109.5° |
| C35 | C36 | O3 | 109.3° | 109.5° |
| C36 | C35 | N7 | 115.9° | 119.7° |
| C35 | C36 | H41 | 108.9° | 109.5° |
| C37 | C36 | O3 | 108.3° | 109.4° |
| C37 | C36 | H41 | 108.9° | 109.5° |
| C36 | C37 | H42 | 109.5° | 109.5° |
| C36 | C37 | H44 | 109.5° | 109.5° |
| C36 | C37 | H43 | 109.4° | 109.5° |
| C36 | O3 | C38 | 112.9° | 114.0° |
| O3 | C36 | H41 | 110.2° | 109.5° |
| O3 | C38 | H45 | 109.5° | 109.5° |
| O3 | C38 | H47 | 109.5° | 109.5° |
| O3 | C38 | H46 | 109.5° | 109.5° |
| C35 | N7 | C39 | 119.6° | 122.0° |
| N7 | C39 | C40 | 122.4° | 120.9° |
| N7 | C39 | H48 | 118.8° | 119.5° |
| C39 | C40 | N8 | 119.1° | 120.4° |
| C39 | C40 | C48 | 118.9° | 119.2° |
| C40 | C39 | H48 | 118.8° | 119.5° |
| C40 | N8 | C41 | 122.2° | 111.0° |
| N8 | C40 | C48 | 121.8° | 120.4° |
| C40 | N8 | C47 | 118.6° | 111.0° |
| N8 | C41 | C42 | 113.1° | 109.3° |
| C41 | N8 | C47 | 116.0° | 110.9° |
| N8 | C41 | H49 | 108.5° | 109.5° |
| N8 | C41 | H50 | 108.6° | 109.5° |
| C41 | C42 | N9 | 111.4° | 109.4° |
| C42 | C41 | H49 | 108.6° | 109.5° |
| C42 | C41 | H50 | 108.6° | 109.4° |
| C41 | C42 | H52 | 109.0° | 109.5° |
| C41 | C42 | H51 | 109.0° | 109.5° |
| C42 | N9 | C43 | 109.9° | 111.0° |
| C42 | N9 | C46 | 108.7° | 110.9° |
| N9 | C42 | H52 | 109.0° | 109.5° |
| N9 | C42 | H51 | 109.0° | 109.5° |
| N9 | C43 | C44 | 117.0° | 117.5° |
| C43 | N9 | C46 | 110.7° | 111.0° |
| N9 | C43 | C45 | 118.4° | 117.5° |
| N9 | C43 | H53 | 117.0° | 115.6° |
| C43 | C44 | C45 | 60.1° | 60.0° |
| C44 | C43 | C45 | 60.0° | 60.0° |
| C44 | C43 | H53 | 116.2° | 117.5° |
| C43 | C44 | H55 | 120.0° | 117.5° |
| C43 | C44 | H54 | 120.0° | 117.5° |
| C44 | C45 | C43 | 60.0° | 60.0° |
| C45 | C44 | H55 | 120.0° | 117.5° |
| C45 | C44 | H54 | 120.0° | 117.5° |
| C44 | C45 | H57 | 120.0° | 117.5° |
| C44 | C45 | H56 | 120.0° | 117.5° |
| N9 | C46 | C47 | 112.2° | 109.4° |
| N9 | C46 | H58 | 108.8° | 109.4° |
| N9 | C46 | H59 | 108.8° | 109.6° |
| C46 | C47 | N8 | 115.1° | 109.4° |
| C47 | C46 | H58 | 108.8° | 109.5° |
| C47 | C46 | H59 | 108.8° | 109.5° |
| C46 | C47 | H61 | 108.0° | 109.4° |
| C46 | C47 | H60 | 108.1° | 109.5° |
| C40 | C48 | C34 | 119.6° | 118.2° |
| C40 | C48 | H62 | 120.2° | 120.9° |
| C33 | C49 | C50 | 127.4° | 126.4° |
| C33 | C49 | C27 | 106.9° | 106.9° |
| C49 | C50 | C51 | 116.9° | 109.8° |
| C50 | C49 | C27 | 125.6° | 126.6° |
| C49 | C50 | H64 | 107.6° | 109.4° |
| C49 | C50 | H63 | 107.6° | 109.4° |
| C50 | C51 | C52 | 107.5° | 109.4° |
| C50 | C51 | C53 | 110.6° | 109.4° |
| C50 | C51 | C54 | 112.4° | 109.6° |
| C51 | C50 | H64 | 107.6° | 109.4° |
| C51 | C50 | H63 | 107.6° | 109.4° |
| C52 | C51 | C53 | 109.3° | 109.4° |
| C52 | C51 | C54 | 108.6° | 109.4° |
| C51 | C52 | H65 | 109.5° | 109.4° |
| C51 | C52 | H66 | 109.5° | 109.5° |
| C51 | C52 | H67 | 109.4° | 109.5° |
| C53 | C51 | C54 | 108.4° | 109.4° |
| C51 | C53 | H68 | 109.5° | 109.5° |
| C51 | C53 | H69 | 109.5° | 109.5° |
| C51 | C53 | H70 | 109.5° | 109.4° |
| C51 | C54 | O4 | 108.7° | 109.6° |
| C51 | C54 | H71 | 109.6° | 109.4° |
| C51 | C54 | H72 | 109.6° | 109.5° |
| C54 | O4 | C55 | 115.6° | 117.2° |
| O4 | C54 | H71 | 109.6° | 109.4° |
| O4 | C54 | H72 | 109.7° | 109.5° |
| O4 | C55 | O5 | 124.7° | 120.1° |
| O4 | C55 | C56 | 110.4° | 119.9° |
| O5 | C55 | C56 | 124.8° | 120.1° |
| C55 | C56 | C57 | 109.0° | 109.8° |
| C55 | C56 | N11 | 107.8° | 109.3° |
| C55 | C56 | H73 | 109.3° | 109.3° |
| C56 | C57 | C58 | 110.8° | 111.7° |
| C57 | C56 | N11 | 111.9° | 109.7° |
| C57 | C56 | H73 | 108.9° | 109.4° |
| C56 | C57 | H74 | 109.2° | 109.0° |
| C56 | C57 | H75 | 109.1° | 109.0° |
| C57 | C58 | C59 | 109.5° | 110.7° |
| C58 | C57 | H74 | 109.1° | 109.1° |
| C58 | C57 | H75 | 109.2° | 109.1° |
| C57 | C58 | H77 | 109.5° | 109.2° |
| C57 | C58 | H76 | 109.4° | 109.2° |
| C58 | C59 | N10 | 109.6° | 108.3° |
| C59 | C58 | H77 | 109.4° | 109.3° |
| C59 | C58 | H76 | 109.5° | 109.2° |
| C58 | C59 | H79 | 109.4° | 109.7° |
| C58 | C59 | H78 | 109.5° | 109.7° |
| C59 | N10 | C60 | 124.2° | 120.7° |
| C59 | N10 | N11 | 117.3° | 119.3° |
| N10 | C59 | H79 | 109.5° | 109.7° |
| N10 | C59 | H78 | 109.4° | 109.7° |
| N10 | C60 | O6 | 120.7° | 120.1° |
| C60 | N10 | N11 | 118.5° | 120.0° |
| N10 | C60 | C1 | 117.4° | 119.7° |
| O6 | C60 | C1 | 121.9° | 120.2° |
| N10 | N11 | C56 | 110.8° | 110.5° |
| N10 | N11 | H80 | 109.2° | 111.0° |
| C60 | C1 | H1 | 108.4° | 109.3° |
| N2 | C7 | H8 | 110.7° | 110.4° |
| N2 | C7 | H9 | 110.7° | 110.5° |
| N4 | C10 | H12 | 115.9° | 117.6° |
| C25 | C30 | H38 | 118.9° | 119.6° |
| C34 | C48 | H62 | 120.2° | 120.9° |
| N11 | C56 | H73 | 109.9° | 109.3° |
| C56 | N11 | H80 | 109.2° | 111.0° |
| C5 | C17 | H24 | 111.6° | 110.4° |
| C5 | C17 | H25 | 111.5° | 110.5° |
| C14 | C12 | H14 | 116.0° | 117.5° |
| C12 | C14 | H18 | 120.0° | 117.5° |
| C12 | C14 | H17 | 120.0° | 117.5° |
| N8 | C47 | H61 | 108.1° | 109.5° |
| N8 | C47 | H60 | 108.1° | 109.5° |
| C45 | C43 | H53 | 116.1° | 117.5° |
| C43 | C45 | H57 | 120.0° | 117.5° |
| C43 | C45 | H56 | 120.0° | 117.5° |
| H16 | C13 | H15 | 109.5° | 115.6° |
| H18 | C14 | H17 | 109.5° | 115.6° |
| H21 | C15 | H19 | 109.5° | 109.4° |
| H21 | C15 | H20 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.9° |
| H24 | C17 | H25 | 109.5° | 110.3° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H27 | 109.5° | 109.4° |
| H29 | C19 | H27 | 109.4° | 109.5° |
| H31 | C20 | H30 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.7° |
| H40 | C31 | H39 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.4° | 109.4° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H44 | C37 | H43 | 109.5° | 109.5° |
| H45 | C38 | H47 | 109.5° | 109.4° |
| H45 | C38 | H46 | 109.5° | 109.5° |
| H47 | C38 | H46 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 110.4° |
| H49 | C41 | H50 | 109.5° | 109.5° |
| H52 | C42 | H51 | 109.5° | 109.5° |
| H55 | C44 | H54 | 109.5° | 115.5° |
| H57 | C45 | H56 | 109.5° | 115.6° |
| H58 | C46 | H59 | 109.4° | 109.4° |
| H61 | C47 | H60 | 109.4° | 109.5° |
| H64 | C50 | H63 | 109.5° | 109.4° |
| H65 | C52 | H66 | 109.5° | 109.5° |
| H65 | C52 | H67 | 109.5° | 109.5° |
| H66 | C52 | H67 | 109.5° | 109.5° |
| H68 | C53 | H69 | 109.5° | 109.5° |
| H68 | C53 | H70 | 109.5° | 109.4° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| H71 | C54 | H72 | 109.5° | 109.4° |
| H74 | C57 | H75 | 109.5° | 109.0° |
| H77 | C58 | H76 | 109.5° | 109.1° |
| H79 | C59 | H78 | 109.4° | 109.7° |
| H6 | C6 | H7 | 109.5° | 110.4° |
| H8 | C7 | H9 | 109.4° | 110.4° |
| H11 | C8 | H10 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H2 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 176.7° | 176.8° |
| C1 | N1 | C2 | O2 | 2.2° | 3.2° |
| N1 | C1 | C21 | C60 | 121.7° | 120.2° |
| N1 | C1 | C21 | H1 | 119.9° | 119.6° |
| N1 | C1 | C21 | C22 | 101.2° | 83.5° |
| N1 | C1 | C60 | N10 | 156.2° | 76.9° |
| N1 | C1 | C60 | O6 | 24.0° | 103.2° |
| N1 | C1 | C60 | H1 | 119.4° | 119.6° |
| N1 | C1 | C21 | H33 | 19.2° | 36.3° |
| N1 | C1 | C21 | H34 | 138.4° | 156.8° |
| N1 | C2 | C3 | O2 | 178.9° | 180.0° |
| N1 | C2 | C3 | N2 | 96.4° | 159.6° |
| N1 | C2 | C3 | C18 | 135.7° | 80.4° |
| C2 | N1 | C1 | C21 | 133.1° | 91.3° |
| C2 | N1 | C1 | C60 | 105.0° | 147.9° |
| C2 | N1 | C1 | H1 | 13.8° | 28.3° |
| N1 | C2 | C3 | H3 | 19.9° | 39.6° |
| C2 | C3 | N2 | C18 | 127.4° | 120.0° |
| C2 | C3 | N2 | H3 | 115.8° | 120.0° |
| C2 | C3 | N2 | C4 | 72.0° | 55.9° |
| C2 | C3 | C18 | H3 | 115.8° | 120.0° |
| C2 | C3 | C18 | C19 | 174.4° | 64.8° |
| C2 | C3 | C18 | C20 | 64.9° | 175.2° |
| C2 | C3 | N2 | C7 | 57.6° | 59.8° |
| C2 | C3 | C18 | H26 | 54.6° | 55.2° |
| C3 | C2 | N1 | H2 | 3.3° | 3.2° |
| C3 | N2 | C4 | C7 | 134.8° | 119.7° |
| C3 | N2 | C4 | C5 | 179.7° | 158.0° |
| C3 | N2 | C7 | C6 | 159.8° | 158.4° |
| N2 | C3 | C18 | H3 | 117.3° | 120.0° |
| N2 | C3 | C18 | C19 | 47.5° | 175.2° |
| N2 | C3 | C18 | C20 | 168.1° | 55.2° |
| N2 | C3 | C2 | O2 | 82.5° | 20.4° |
| N2 | C3 | C18 | H26 | 72.3° | 64.8° |
| C3 | N2 | C4 | H4 | 61.9° | 39.3° |
| C3 | N2 | C4 | H5 | 61.2° | 83.3° |
| C3 | N2 | C7 | H8 | 80.9° | 82.8° |
| C3 | N2 | C7 | H9 | 40.6° | 39.6° |
| N2 | C4 | C5 | H4 | 118.5° | 118.7° |
| N2 | C4 | C5 | H5 | 118.5° | 118.8° |
| N2 | C4 | C5 | C6 | 45.2° | 23.0° |
| C4 | N2 | C7 | C6 | 26.0° | 38.7° |
| N2 | C4 | C5 | C8 | 76.8° | 98.7° |
| C4 | N2 | C3 | C18 | 160.6° | 175.9° |
| N2 | C4 | C5 | C17 | 166.8° | 145.1° |
| C4 | N2 | C3 | H3 | 43.8° | 64.2° |
| N2 | C4 | H4 | H5 | 124.4° | 122.6° |
| C4 | N2 | C7 | H8 | 145.2° | 157.5° |
| C4 | N2 | C7 | H9 | 93.3° | 80.1° |
| C4 | C5 | C6 | C8 | 122.5° | 121.6° |
| C4 | C5 | C6 | C17 | 124.0° | 122.1° |
| C4 | C5 | C6 | C7 | 30.0° | 0.3° |
| C4 | C5 | C8 | C17 | 124.7° | 120.6° |
| C4 | C5 | C8 | N3 | 88.6° | 84.7° |
| C4 | C5 | C17 | C16 | 78.2° | 99.8° |
| C5 | C4 | N2 | C7 | 44.9° | 38.3° |
| C4 | C5 | C17 | H24 | 163.2° | 141.3° |
| C4 | C5 | C17 | H25 | 40.4° | 19.0° |
| C5 | C4 | H4 | H5 | 124.4° | 122.5° |
| C4 | C5 | C6 | H6 | 149.2° | 118.4° |
| C4 | C5 | C6 | H7 | 89.2° | 119.2° |
| C4 | C5 | C8 | H11 | 152.4° | 156.9° |
| C4 | C5 | C8 | H10 | 30.3° | 33.7° |
| C5 | C6 | C7 | H6 | 119.2° | 118.8° |
| C5 | C6 | C7 | H7 | 119.2° | 118.8° |
| C6 | C5 | C8 | C17 | 120.2° | 120.8° |
| C6 | C5 | C8 | N3 | 156.2° | 156.7° |
| C6 | C5 | C17 | C16 | 166.2° | 141.3° |
| C5 | C6 | C7 | N2 | 3.8° | 23.6° |
| C6 | C5 | C17 | H24 | 47.6° | 22.4° |
| C6 | C5 | C17 | H25 | 75.2° | 99.9° |
| C6 | C5 | C4 | H4 | 163.6° | 95.8° |
| C6 | C5 | C4 | H5 | 73.3° | 141.8° |
| C5 | C6 | H6 | H7 | 122.2° | 122.4° |
| C5 | C6 | C7 | H8 | 115.4° | 142.5° |
| C5 | C6 | C7 | H9 | 123.0° | 95.3° |
| C6 | C5 | C8 | H11 | 37.3° | 38.2° |
| C6 | C5 | C8 | H10 | 84.8° | 84.9° |
| C7 | C6 | C5 | C8 | 92.5° | 122.0° |
| C6 | C7 | N2 | H8 | 119.2° | 118.8° |
| C6 | C7 | N2 | H9 | 119.2° | 118.8° |
| C7 | C6 | C5 | C17 | 154.0° | 121.7° |
| C7 | C6 | H6 | H7 | 122.2° | 122.4° |
| C6 | C7 | H8 | H9 | 122.2° | 122.3° |
| C5 | C8 | N3 | H11 | 119.0° | 118.4° |
| C5 | C8 | N3 | H10 | 118.9° | 118.5° |
| C5 | C8 | N3 | C9 | 165.6° | 142.2° |
| C5 | C8 | N3 | C16 | 13.4° | 37.9° |
| C8 | C5 | C17 | C16 | 45.3° | 20.6° |
| C8 | C5 | C17 | H24 | 73.3° | 98.2° |
| C8 | C5 | C17 | H25 | 163.9° | 139.5° |
| C8 | C5 | C4 | H4 | 41.6° | 142.5° |
| C8 | C5 | C4 | H5 | 164.7° | 20.1° |
| C8 | C5 | C6 | H6 | 26.7° | 3.2° |
| C8 | C5 | C6 | H7 | 148.3° | 119.2° |
| C5 | C8 | H11 | H10 | 123.0° | 123.2° |
| C8 | N3 | C9 | C16 | 179.0° | 180.0° |
| C8 | N3 | C9 | O1 | 5.4° | 5.0° |
| C8 | N3 | C9 | C10 | 174.3° | 175.0° |
| C8 | N3 | C16 | C17 | 15.3° | 25.1° |
| N3 | C8 | C5 | C17 | 36.1° | 35.9° |
| C8 | N3 | C16 | H22 | 134.3° | 144.4° |
| C8 | N3 | C16 | H23 | 103.7° | 94.4° |
| N3 | C8 | H11 | H10 | 123.0° | 123.1° |
| N3 | C9 | O1 | C10 | 179.6° | 180.0° |
| N3 | C9 | C10 | C11 | 101.8° | 85.8° |
| C9 | N3 | C16 | C17 | 165.6° | 154.9° |
| N3 | C9 | C10 | N4 | 170.9° | 152.9° |
| N3 | C9 | C10 | H12 | 37.7° | 60.7° |
| C9 | N3 | C16 | H22 | 46.6° | 35.6° |
| C9 | N3 | C16 | H23 | 75.3° | 85.6° |
| C9 | N3 | C8 | H11 | 75.4° | 99.5° |
| C9 | N3 | C8 | H10 | 46.7° | 23.7° |
| O1 | C9 | C10 | C11 | 78.6° | 94.2° |
| O1 | C9 | N3 | C16 | 175.6° | 175.0° |
| O1 | C9 | C10 | N4 | 9.5° | 27.2° |
| O1 | C9 | C10 | H12 | 141.9° | 119.3° |
| C9 | C10 | C11 | N4 | 114.1° | 107.1° |
| C9 | C10 | C11 | H12 | 139.6° | 145.9° |
| C9 | C10 | C11 | C12 | 23.0° | 0.0° |
| C9 | C10 | N4 | C15 | 149.5° | 149.4° |
| C10 | C9 | N3 | C16 | 4.7° | 5.0° |
| C9 | C10 | N4 | H12 | 151.3° | 145.8° |
| C9 | C10 | C11 | H13 | 138.1° | 145.6° |
| C10 | C11 | C12 | N4 | 63.8° | 67.1° |
| C10 | C11 | C12 | H13 | 161.1° | 146.3° |
| C10 | C11 | C12 | C13 | 167.3° | 175.0° |
| C10 | C11 | N4 | H13 | 107.2° | 107.1° |
| C11 | C10 | N4 | C15 | 107.4° | 103.5° |
| C11 | C10 | N4 | H12 | 105.6° | 107.1° |
| C10 | C11 | C12 | C14 | 123.5° | 116.4° |
| C10 | C11 | C12 | H14 | 21.1° | 29.3° |
| C11 | C12 | C13 | C14 | 107.5° | 107.5° |
| C11 | C12 | C13 | H14 | 146.3° | 145.0° |
| C12 | C11 | N4 | H13 | 135.0° | 145.9° |
| C12 | C11 | N4 | C15 | 136.9° | 149.4° |
| C11 | C12 | C14 | H14 | 144.6° | 145.0° |
| C12 | C11 | C10 | H12 | 162.6° | 145.8° |
| C11 | C12 | C13 | H16 | 2.0° | 0.0° |
| C11 | C12 | C13 | H15 | 143.0° | 145.1° |
| C11 | C12 | C14 | H18 | 0.4° | 145.0° |
| C11 | C12 | C14 | H17 | 141.4° | 0.0° |
| C12 | C13 | C14 | H16 | 109.5° | 107.5° |
| C12 | C13 | C14 | H15 | 109.5° | 107.5° |
| C13 | C12 | C11 | N4 | 128.9° | 117.9° |
| C13 | C12 | C14 | H14 | 106.2° | 107.5° |
| C13 | C12 | C11 | H13 | 6.2° | 28.7° |
| C12 | C13 | H16 | H15 | 144.7° | 145.8° |
| C13 | C12 | C14 | H18 | 109.5° | 107.5° |
| C13 | C12 | C14 | H17 | 109.5° | 107.4° |
| C14 | C13 | H16 | H15 | 144.6° | 145.6° |
| C13 | C14 | H18 | H17 | 144.7° | 145.7° |
| N4 | C11 | C12 | C14 | 59.8° | 49.3° |
| N4 | C11 | C12 | H14 | 84.9° | 96.4° |
| C11 | N4 | C15 | H21 | 180.0° | 32.2° |
| C11 | N4 | C15 | H19 | 60.0° | 87.8° |
| C11 | N4 | C15 | H20 | 60.0° | 152.2° |
| C15 | N4 | C10 | H12 | 1.8° | 3.6° |
| C15 | N4 | C11 | H13 | 1.9° | 3.5° |
| N4 | C15 | H21 | H19 | 120.0° | 120.0° |
| N4 | C15 | H21 | H20 | 120.0° | 120.0° |
| N4 | C15 | H19 | H20 | 120.0° | 120.0° |
| N3 | C16 | C17 | H22 | 119.0° | 119.4° |
| N3 | C16 | C17 | H23 | 119.0° | 119.6° |
| N3 | C16 | C17 | C5 | 37.3° | 2.1° |
| N3 | C16 | H22 | H23 | 122.8° | 121.3° |
| N3 | C16 | C17 | H24 | 81.3° | 120.9° |
| N3 | C16 | C17 | H25 | 155.9° | 116.9° |
| C16 | N3 | C8 | H11 | 105.5° | 80.5° |
| C16 | N3 | C8 | H10 | 132.4° | 156.3° |
| C16 | C17 | C5 | H24 | 118.6° | 118.9° |
| C16 | C17 | C5 | H25 | 118.6° | 118.8° |
| C17 | C16 | H22 | H23 | 122.8° | 121.1° |
| C16 | C17 | H24 | H25 | 124.0° | 122.2° |
| C3 | C18 | C19 | C20 | 121.3° | 120.0° |
| C3 | C18 | C19 | H26 | 119.7° | 120.0° |
| C3 | C18 | C20 | H26 | 119.5° | 120.0° |
| C18 | C3 | C2 | O2 | 45.4° | 99.5° |
| C18 | C3 | N2 | C7 | 69.8° | 60.2° |
| C3 | C18 | C19 | H28 | 180.0° | 173.1° |
| C3 | C18 | C19 | H29 | 60.0° | 66.8° |
| C3 | C18 | C19 | H27 | 60.0° | 53.2° |
| C3 | C18 | C20 | H31 | 180.0° | 60.0° |
| C3 | C18 | C20 | H30 | 60.0° | 60.0° |
| C3 | C18 | C20 | H32 | 60.0° | 180.0° |
| C19 | C18 | C20 | H26 | 119.0° | 120.0° |
| C18 | C19 | H28 | H29 | 120.0° | 120.0° |
| C18 | C19 | H28 | H27 | 120.0° | 120.0° |
| C18 | C19 | H29 | H27 | 120.0° | 120.0° |
| C19 | C18 | C20 | H31 | 58.5° | 60.0° |
| C19 | C18 | C20 | H30 | 178.5° | 180.0° |
| C19 | C18 | C20 | H32 | 61.5° | 60.0° |
| C19 | C18 | C3 | H3 | 69.8° | 55.2° |
| C20 | C18 | C19 | H28 | 58.7° | 53.1° |
| C20 | C18 | C19 | H29 | 61.3° | 173.2° |
| C20 | C18 | C19 | H27 | 178.7° | 66.8° |
| C18 | C20 | H31 | H30 | 120.0° | 120.0° |
| C18 | C20 | H31 | H32 | 120.0° | 120.0° |
| C18 | C20 | H30 | H32 | 120.0° | 120.0° |
| C20 | C18 | C3 | H3 | 50.8° | 64.8° |
| O2 | C2 | C3 | H3 | 161.1° | 140.5° |
| O2 | C2 | N1 | H2 | 177.8° | 176.8° |
| C1 | C21 | C22 | H33 | 120.4° | 119.8° |
| C1 | C21 | C22 | H34 | 120.4° | 119.7° |
| C1 | C21 | C22 | N5 | 128.1° | 20.8° |
| C21 | C1 | C60 | N10 | 81.5° | 162.9° |
| C21 | C1 | C60 | O6 | 98.3° | 17.0° |
| C21 | C1 | C60 | H1 | 118.3° | 120.2° |
| C1 | C21 | C22 | S1 | 53.0° | 159.2° |
| C1 | C21 | H33 | H34 | 118.8° | 120.4° |
| C21 | C1 | N1 | H2 | 46.9° | 88.6° |
| C21 | C22 | N5 | S1 | 179.0° | 180.0° |
| C21 | C22 | N5 | C23 | 179.1° | 179.5° |
| C21 | C22 | S1 | C24 | 178.6° | 179.4° |
| C22 | C21 | C1 | C60 | 137.1° | 156.3° |
| C22 | C21 | C1 | H1 | 18.7° | 36.1° |
| C22 | C21 | H33 | H34 | 118.8° | 120.4° |
| C22 | N5 | C23 | C24 | 0.8° | 0.2° |
| N5 | C22 | S1 | C24 | 0.4° | 0.6° |
| C22 | N5 | C23 | C25 | 176.5° | 179.6° |
| N5 | C22 | C21 | H33 | 111.6° | 140.6° |
| N5 | C22 | C21 | H34 | 7.7° | 98.9° |
| N5 | C23 | C24 | C25 | 177.0° | 179.8° |
| N5 | C23 | C24 | S1 | 1.2° | 0.3° |
| N5 | C23 | C25 | C26 | 23.8° | 4.7° |
| C23 | N5 | C22 | S1 | 0.2° | 0.5° |
| N5 | C23 | C25 | C30 | 158.6° | 175.2° |
| N5 | C23 | C24 | H35 | 178.9° | 179.8° |
| C23 | C24 | S1 | H35 | 180.0° | 179.9° |
| C24 | C23 | C25 | C26 | 153.1° | 175.5° |
| C23 | C24 | S1 | C22 | 0.9° | 0.5° |
| C24 | C23 | C25 | C30 | 24.5° | 4.6° |
| S1 | C24 | C23 | C25 | 175.9° | 180.0° |
| C23 | C25 | C26 | C30 | 177.7° | 179.9° |
| C23 | C25 | C26 | C27 | 176.3° | 179.9° |
| C23 | C25 | C30 | C29 | 177.4° | 179.7° |
| C25 | C23 | C24 | H35 | 4.1° | 0.0° |
| C23 | C25 | C26 | H36 | 3.7° | 0.1° |
| C23 | C25 | C30 | H38 | 2.7° | 0.3° |
| C25 | C26 | C27 | H36 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.1° | 0.7° |
| C26 | C25 | C30 | C29 | 0.3° | 0.2° |
| C25 | C26 | C27 | C49 | 179.3° | 178.9° |
| C26 | C25 | C30 | H38 | 179.7° | 179.8° |
| C26 | C27 | C28 | C49 | 178.9° | 179.7° |
| C26 | C27 | C28 | C29 | 1.8° | 0.7° |
| C26 | C27 | C28 | N6 | 179.8° | 179.1° |
| C26 | C27 | C49 | C33 | 178.5° | 179.3° |
| C26 | C27 | C49 | C50 | 0.3° | 1.0° |
| C27 | C26 | C25 | C30 | 1.4° | 0.2° |
| C27 | C28 | C29 | N6 | 177.5° | 179.8° |
| C27 | C28 | C29 | C30 | 0.7° | 0.3° |
| C27 | C28 | N6 | C31 | 171.9° | 179.1° |
| C27 | C28 | N6 | C33 | 2.2° | 0.9° |
| C28 | C27 | C49 | C33 | 0.3° | 1.1° |
| C28 | C27 | C49 | C50 | 178.4° | 178.6° |
| C28 | C27 | C26 | H36 | 177.9° | 179.3° |
| C27 | C28 | C29 | H37 | 179.3° | 179.7° |
| C28 | C29 | C30 | H37 | 180.0° | 180.0° |
| C29 | C28 | N6 | C31 | 10.3° | 0.7° |
| C29 | C28 | N6 | C33 | 180.0° | 179.3° |
| C28 | C29 | C30 | C25 | 0.1° | 0.2° |
| C29 | C28 | C27 | C49 | 179.2° | 178.9° |
| C28 | C29 | C30 | H38 | 180.0° | 179.8° |
| C30 | C29 | C28 | N6 | 178.2° | 179.5° |
| C29 | C30 | C25 | H38 | 180.0° | 180.0° |
| C28 | N6 | C31 | C33 | 167.8° | 180.0° |
| C28 | N6 | C31 | C32 | 82.3° | 89.9° |
| C28 | N6 | C33 | C34 | 178.0° | 179.8° |
| C28 | N6 | C33 | C49 | 2.4° | 0.2° |
| N6 | C28 | C27 | C49 | 1.2° | 1.2° |
| N6 | C28 | C29 | H37 | 1.8° | 0.5° |
| C28 | N6 | C31 | H40 | 157.9° | 30.0° |
| C28 | N6 | C31 | H39 | 37.6° | 150.0° |
| N6 | C31 | C32 | H40 | 119.8° | 119.9° |
| N6 | C31 | C32 | H39 | 119.9° | 120.0° |
| N6 | C31 | C32 | F1 | 179.4° | 60.0° |
| N6 | C31 | C32 | F2 | 60.0° | 180.0° |
| N6 | C31 | C32 | F3 | 60.1° | 60.0° |
| C31 | N6 | C33 | C34 | 8.7° | 0.2° |
| C31 | N6 | C33 | C49 | 171.7° | 179.8° |
| N6 | C31 | H40 | H39 | 120.5° | 120.0° |
| C31 | C32 | F1 | F2 | 123.2° | 120.0° |
| C31 | C32 | F1 | F3 | 123.4° | 120.0° |
| C31 | C32 | F2 | F3 | 123.4° | 120.0° |
| C32 | C31 | N6 | C33 | 85.5° | 90.1° |
| C32 | C31 | H40 | H39 | 120.4° | 120.1° |
| F1 | C32 | F2 | F3 | 113.9° | 119.9° |
| F1 | C32 | C31 | H40 | 60.7° | 180.0° |
| F1 | C32 | C31 | H39 | 59.5° | 60.0° |
| F2 | C32 | C31 | H40 | 179.9° | 60.0° |
| F2 | C32 | C31 | H39 | 59.9° | 60.0° |
| F3 | C32 | C31 | H40 | 59.7° | 60.0° |
| F3 | C32 | C31 | H39 | 180.0° | 180.0° |
| N6 | C33 | C34 | C49 | 179.5° | 180.0° |
| N6 | C33 | C34 | C35 | 60.6° | 77.2° |
| N6 | C33 | C49 | C50 | 179.8° | 179.1° |
| N6 | C33 | C34 | C48 | 121.7° | 102.4° |
| N6 | C33 | C49 | C27 | 1.6° | 0.5° |
| C33 | N6 | C31 | H40 | 34.3° | 150.0° |
| C33 | N6 | C31 | H39 | 154.6° | 30.0° |
| C33 | C34 | C35 | C48 | 177.8° | 179.6° |
| C33 | C34 | C35 | C36 | 0.2° | 0.1° |
| C33 | C34 | C35 | N7 | 178.6° | 180.0° |
| C33 | C34 | C48 | C40 | 178.6° | 180.0° |
| C34 | C33 | C49 | C50 | 0.7° | 0.8° |
| C34 | C33 | C49 | C27 | 178.8° | 179.5° |
| C33 | C34 | C48 | H62 | 1.4° | 0.1° |
| C34 | C35 | C36 | N7 | 178.5° | 179.9° |
| C34 | C35 | C36 | C37 | 130.3° | 136.8° |
| C34 | C35 | C36 | O3 | 110.2° | 103.3° |
| C34 | C35 | N7 | C39 | 1.0° | 0.1° |
| C35 | C34 | C48 | C40 | 0.7° | 0.4° |
| C35 | C34 | C33 | C49 | 118.9° | 102.8° |
| C34 | C35 | C36 | H41 | 10.3° | 16.8° |
| C35 | C34 | C48 | H62 | 179.2° | 179.7° |
| C35 | C36 | C37 | O3 | 120.1° | 120.0° |
| C35 | C36 | C37 | H41 | 120.0° | 120.0° |
| C35 | C36 | O3 | H41 | 119.7° | 120.0° |
| C35 | C36 | O3 | C38 | 164.3° | 155.2° |
| C36 | C35 | N7 | C39 | 177.5° | 180.0° |
| C36 | C35 | C34 | C48 | 177.6° | 179.7° |
| C35 | C36 | C37 | H42 | 180.0° | 55.4° |
| C35 | C36 | C37 | H44 | 60.0° | 175.4° |
| C35 | C36 | C37 | H43 | 60.0° | 64.6° |
| C37 | C36 | O3 | H41 | 119.0° | 120.0° |
| C37 | C36 | O3 | C38 | 74.4° | 84.8° |
| C37 | C36 | C35 | N7 | 48.1° | 43.2° |
| C36 | C37 | H42 | H44 | 120.0° | 120.0° |
| C36 | C37 | H42 | H43 | 120.0° | 120.1° |
| C36 | C37 | H44 | H43 | 120.0° | 120.0° |
| O3 | C36 | C35 | N7 | 71.3° | 76.8° |
| O3 | C36 | C37 | H42 | 59.9° | 175.4° |
| O3 | C36 | C37 | H44 | 60.1° | 64.6° |
| O3 | C36 | C37 | H43 | 179.9° | 55.4° |
| C36 | O3 | C38 | H45 | 180.0° | 55.2° |
| C36 | O3 | C38 | H47 | 60.0° | 64.8° |
| C36 | O3 | C38 | H46 | 60.0° | 175.2° |
| C38 | O3 | C36 | H41 | 44.6° | 35.1° |
| O3 | C38 | H45 | H47 | 120.0° | 120.0° |
| O3 | C38 | H45 | H46 | 120.0° | 120.0° |
| O3 | C38 | H47 | H46 | 120.0° | 120.0° |
| C35 | N7 | C39 | C40 | 1.1° | 0.2° |
| N7 | C35 | C34 | C48 | 0.8° | 0.3° |
| N7 | C35 | C36 | H41 | 168.2° | 163.2° |
| C35 | N7 | C39 | H48 | 178.9° | 180.0° |
| N7 | C39 | C40 | H48 | 180.0° | 179.8° |
| N7 | C39 | C40 | N8 | 175.7° | 179.8° |
| N7 | C39 | C40 | C48 | 1.1° | 0.2° |
| C39 | C40 | N8 | C48 | 174.4° | 179.9° |
| C39 | C40 | N8 | C41 | 22.2° | 0.0° |
| C39 | C40 | C48 | C34 | 0.9° | 0.1° |
| C39 | C40 | N8 | C47 | 136.8° | 123.8° |
| C39 | C40 | C48 | H62 | 179.1° | 180.0° |
| C40 | N8 | C41 | C47 | 159.5° | 123.8° |
| C40 | N8 | C41 | C42 | 160.9° | 176.9° |
| C40 | N8 | C47 | C46 | 163.1° | 176.9° |
| N8 | C40 | C48 | C34 | 175.3° | 179.9° |
| N8 | C40 | C39 | H48 | 4.3° | 0.0° |
| C40 | N8 | C41 | H49 | 78.6° | 56.9° |
| C40 | N8 | C41 | H50 | 40.3° | 63.2° |
| C40 | N8 | C47 | H61 | 76.0° | 63.2° |
| C40 | N8 | C47 | H60 | 42.3° | 56.8° |
| N8 | C40 | C48 | H62 | 4.7° | 0.0° |
| N8 | C41 | C42 | H49 | 120.5° | 120.0° |
| N8 | C41 | C42 | H50 | 120.5° | 120.0° |
| N8 | C41 | C42 | N9 | 52.9° | 58.4° |
| C41 | N8 | C47 | C46 | 36.6° | 59.3° |
| C41 | N8 | C40 | C48 | 163.4° | 180.0° |
| N8 | C41 | H49 | H50 | 118.3° | 120.1° |
| N8 | C41 | C42 | H52 | 173.2° | 178.4° |
| N8 | C41 | C42 | H51 | 67.4° | 61.6° |
| C41 | N8 | C47 | H61 | 84.2° | 60.6° |
| C41 | N8 | C47 | H60 | 157.5° | 179.3° |
| C41 | C42 | N9 | H52 | 120.3° | 120.0° |
| C41 | C42 | N9 | H51 | 120.3° | 119.9° |
| C41 | C42 | N9 | C43 | 176.7° | 176.8° |
| C41 | C42 | N9 | C46 | 62.1° | 59.3° |
| C42 | C41 | N8 | C47 | 39.7° | 59.3° |
| C42 | C41 | H49 | H50 | 118.4° | 120.0° |
| C41 | C42 | H52 | H51 | 119.1° | 120.0° |
| C42 | N9 | C43 | C46 | 120.0° | 123.9° |
| C42 | N9 | C43 | C44 | 78.8° | 170.0° |
| C42 | N9 | C46 | C47 | 58.4° | 59.2° |
| C42 | N9 | C43 | C45 | 147.5° | 121.4° |
| N9 | C42 | C41 | H49 | 67.6° | 178.4° |
| N9 | C42 | C41 | H50 | 173.4° | 61.6° |
| N9 | C42 | H52 | H51 | 119.1° | 120.1° |
| C42 | N9 | C43 | H53 | 65.6° | 24.3° |
| C42 | N9 | C46 | H58 | 178.8° | 60.7° |
| C42 | N9 | C46 | H59 | 62.1° | 179.3° |
| N9 | C43 | C44 | C45 | 108.8° | 107.5° |
| N9 | C43 | C44 | H53 | 144.8° | 145.1° |
| C43 | N9 | C46 | C47 | 179.1° | 176.8° |
| N9 | C43 | C45 | H53 | 147.1° | 145.0° |
| C43 | N9 | C42 | H52 | 56.4° | 56.8° |
| C43 | N9 | C42 | H51 | 63.0° | 63.3° |
| N9 | C43 | C44 | H55 | 0.7° | 0.0° |
| N9 | C43 | C44 | H54 | 141.7° | 145.0° |
| N9 | C43 | C45 | H57 | 3.1° | 145.0° |
| N9 | C43 | C45 | H56 | 144.1° | 0.0° |
| C43 | N9 | C46 | H58 | 60.5° | 63.2° |
| C43 | N9 | C46 | H59 | 58.7° | 56.7° |
| C43 | C44 | C45 | H55 | 109.5° | 107.5° |
| C43 | C44 | C45 | H54 | 109.5° | 107.5° |
| C44 | C43 | N9 | C46 | 161.2° | 66.1° |
| C44 | C43 | C45 | H53 | 106.5° | 107.5° |
| C43 | C44 | H55 | H54 | 144.7° | 145.7° |
| C44 | C43 | C45 | H57 | 109.5° | 107.5° |
| C44 | C43 | C45 | H56 | 109.4° | 107.5° |
| C45 | C44 | H55 | H54 | 144.7° | 145.7° |
| C44 | C45 | H57 | H56 | 144.8° | 145.7° |
| N9 | C46 | C47 | H58 | 120.4° | 119.9° |
| N9 | C46 | C47 | H59 | 120.4° | 120.1° |
| N9 | C46 | C47 | N8 | 46.1° | 58.3° |
| C46 | N9 | C43 | C45 | 92.5° | 2.5° |
| C46 | N9 | C42 | H52 | 177.6° | 179.2° |
| C46 | N9 | C42 | H51 | 58.2° | 60.7° |
| C46 | N9 | C43 | H53 | 54.4° | 148.1° |
| N9 | C46 | H58 | H59 | 118.7° | 120.1° |
| N9 | C46 | C47 | H61 | 74.7° | 61.6° |
| N9 | C46 | C47 | H60 | 167.0° | 178.4° |
| C46 | C47 | N8 | H61 | 120.8° | 119.9° |
| C46 | C47 | N8 | H60 | 120.9° | 120.0° |
| C47 | C46 | H58 | H59 | 118.8° | 120.0° |
| C46 | C47 | H61 | H60 | 117.4° | 120.0° |
| C40 | C48 | C34 | H62 | 180.0° | 179.9° |
| C48 | C40 | N8 | C47 | 37.7° | 56.2° |
| C48 | C40 | C39 | H48 | 178.9° | 179.9° |
| C33 | C49 | C50 | C27 | 177.8° | 179.6° |
| C33 | C49 | C50 | C51 | 95.8° | 109.8° |
| C49 | C33 | C34 | C48 | 58.9° | 77.6° |
| C33 | C49 | C50 | H64 | 25.2° | 10.3° |
| C33 | C49 | C50 | H63 | 143.1° | 130.1° |
| C49 | C50 | C51 | H64 | 121.1° | 120.1° |
| C49 | C50 | C51 | H63 | 121.1° | 120.1° |
| C49 | C50 | C51 | C52 | 179.0° | 69.5° |
| C49 | C50 | C51 | C53 | 59.7° | 50.4° |
| C49 | C50 | C51 | C54 | 61.6° | 170.4° |
| C49 | C50 | H64 | H63 | 116.6° | 119.9° |
| C50 | C51 | C52 | C53 | 120.1° | 119.9° |
| C50 | C51 | C52 | C54 | 121.9° | 120.2° |
| C50 | C51 | C53 | C54 | 123.6° | 120.2° |
| C50 | C51 | C54 | O4 | 66.1° | 93.0° |
| C51 | C50 | C49 | C27 | 86.3° | 70.6° |
| C51 | C50 | H64 | H63 | 116.6° | 119.9° |
| C50 | C51 | C52 | H65 | 180.0° | 53.7° |
| C50 | C51 | C52 | H66 | 60.0° | 173.7° |
| C50 | C51 | C52 | H67 | 60.0° | 66.3° |
| C50 | C51 | C53 | H68 | 180.0° | 58.6° |
| C50 | C51 | C53 | H69 | 60.0° | 178.7° |
| C50 | C51 | C53 | H70 | 60.0° | 61.3° |
| C50 | C51 | C54 | H71 | 53.8° | 147.0° |
| C50 | C51 | C54 | H72 | 174.0° | 27.1° |
| C52 | C51 | C53 | C54 | 118.2° | 119.9° |
| C52 | C51 | C54 | O4 | 52.7° | 147.0° |
| C52 | C51 | C50 | H64 | 57.9° | 50.6° |
| C52 | C51 | C50 | H63 | 60.0° | 170.4° |
| C51 | C52 | H65 | H66 | 120.0° | 120.0° |
| C51 | C52 | H65 | H67 | 120.0° | 120.0° |
| C51 | C52 | H66 | H67 | 120.0° | 120.0° |
| C52 | C51 | C53 | H68 | 61.8° | 61.3° |
| C52 | C51 | C53 | H69 | 178.2° | 58.7° |
| C52 | C51 | C53 | H70 | 58.2° | 178.8° |
| C52 | C51 | C54 | H71 | 172.6° | 27.0° |
| C52 | C51 | C54 | H72 | 67.2° | 93.0° |
| C53 | C51 | C54 | O4 | 171.4° | 27.1° |
| C53 | C51 | C50 | H64 | 61.4° | 170.5° |
| C53 | C51 | C50 | H63 | 179.3° | 69.7° |
| C53 | C51 | C52 | H65 | 59.9° | 173.6° |
| C53 | C51 | C52 | H66 | 60.1° | 66.3° |
| C53 | C51 | C52 | H67 | 180.0° | 53.6° |
| C51 | C53 | H68 | H69 | 120.0° | 120.0° |
| C51 | C53 | H68 | H70 | 120.0° | 120.0° |
| C51 | C53 | H69 | H70 | 120.0° | 120.0° |
| C53 | C51 | C54 | H71 | 68.7° | 92.9° |
| C53 | C51 | C54 | H72 | 51.5° | 147.1° |
| C51 | C54 | O4 | H71 | 119.9° | 120.0° |
| C51 | C54 | O4 | H72 | 119.9° | 120.1° |
| C51 | C54 | O4 | C55 | 169.9° | 171.9° |
| C54 | C51 | C50 | H64 | 177.4° | 69.5° |
| C54 | C51 | C50 | H63 | 59.5° | 50.3° |
| C54 | C51 | C52 | H65 | 58.1° | 66.5° |
| C54 | C51 | C52 | H66 | 178.1° | 53.6° |
| C54 | C51 | C52 | H67 | 61.9° | 173.5° |
| C54 | C51 | C53 | H68 | 56.4° | 178.8° |
| C54 | C51 | C53 | H69 | 63.6° | 61.2° |
| C54 | C51 | C53 | H70 | 176.4° | 58.8° |
| C51 | C54 | H71 | H72 | 120.3° | 120.0° |
| C54 | O4 | C55 | O5 | 9.1° | 0.1° |
| C54 | O4 | C55 | C56 | 168.2° | 179.9° |
| O4 | C54 | H71 | H72 | 120.4° | 119.9° |
| O4 | C55 | O5 | C56 | 177.0° | 179.9° |
| O4 | C55 | C56 | C57 | 68.2° | 156.6° |
| O4 | C55 | C56 | N11 | 170.1° | 36.2° |
| C55 | O4 | C54 | H71 | 70.2° | 51.9° |
| C55 | O4 | C54 | H72 | 50.0° | 68.0° |
| O4 | C55 | C56 | H73 | 50.7° | 83.3° |
| O5 | C55 | C56 | C57 | 109.1° | 23.3° |
| O5 | C55 | C56 | N11 | 12.6° | 143.7° |
| O5 | C55 | C56 | H73 | 132.0° | 96.8° |
| C55 | C56 | C57 | N11 | 119.2° | 120.1° |
| C55 | C56 | C57 | H73 | 119.2° | 120.0° |
| C55 | C56 | C57 | C58 | 173.4° | 158.2° |
| C55 | C56 | N11 | N10 | 172.3° | 174.4° |
| C55 | C56 | N11 | H73 | 119.0° | 119.6° |
| C55 | C56 | C57 | H74 | 53.2° | 37.6° |
| C55 | C56 | C57 | H75 | 66.4° | 81.3° |
| C55 | C56 | N11 | H80 | 52.1° | 62.0° |
| C56 | C57 | C58 | H74 | 120.2° | 120.5° |
| C56 | C57 | C58 | H75 | 120.2° | 120.6° |
| C56 | C57 | C58 | C59 | 54.2° | 21.2° |
| C57 | C56 | N11 | N10 | 52.5° | 65.1° |
| C57 | C56 | N11 | H73 | 121.1° | 120.0° |
| C56 | C57 | H74 | H75 | 119.4° | 118.9° |
| C56 | C57 | C58 | H77 | 174.2° | 99.2° |
| C56 | C57 | C58 | H76 | 65.8° | 141.6° |
| C57 | C56 | N11 | H80 | 67.7° | 58.5° |
| C57 | C58 | C59 | H77 | 120.0° | 120.3° |
| C57 | C58 | C59 | H76 | 120.0° | 120.3° |
| C57 | C58 | C59 | N10 | 53.3° | 57.4° |
| C58 | C57 | C56 | N11 | 54.2° | 38.0° |
| C58 | C57 | C56 | H73 | 67.5° | 81.8° |
| C58 | C57 | H74 | H75 | 119.4° | 119.0° |
| C57 | C58 | H77 | H76 | 120.0° | 119.3° |
| C57 | C58 | C59 | H79 | 66.7° | 177.1° |
| C57 | C58 | C59 | H78 | 173.3° | 62.3° |
| C58 | C59 | N10 | H79 | 120.0° | 119.7° |
| C58 | C59 | N10 | H78 | 120.0° | 119.7° |
| C58 | C59 | N10 | C60 | 123.0° | 146.6° |
| C58 | C59 | N10 | N11 | 56.0° | 33.5° |
| C59 | C58 | C57 | H74 | 66.0° | 141.7° |
| C59 | C58 | C57 | H75 | 174.4° | 99.4° |
| C59 | C58 | H77 | H76 | 120.0° | 119.4° |
| C58 | C59 | H79 | H78 | 119.9° | 120.6° |
| C59 | N10 | C60 | N11 | 179.0° | 179.8° |
| C59 | N10 | C60 | O6 | 0.6° | 4.0° |
| C59 | N10 | C60 | C1 | 179.1° | 176.1° |
| C59 | N10 | N11 | C56 | 55.3° | 27.1° |
| N10 | C59 | C58 | H77 | 173.3° | 62.9° |
| N10 | C59 | C58 | H76 | 66.7° | 177.8° |
| N10 | C59 | H79 | H78 | 119.9° | 120.6° |
| C59 | N10 | N11 | H80 | 64.9° | 96.5° |
| N10 | C60 | O6 | C1 | 179.7° | 179.9° |
| C60 | N10 | N11 | C56 | 123.8° | 152.8° |
| N10 | C60 | C1 | H1 | 36.8° | 42.7° |
| C60 | N10 | C59 | H79 | 117.0° | 27.0° |
| C60 | N10 | C59 | H78 | 2.9° | 93.7° |
| C60 | N10 | N11 | H80 | 116.0° | 83.6° |
| O6 | C60 | N10 | N11 | 179.6° | 175.9° |
| O6 | C60 | C1 | H1 | 143.4° | 137.2° |
| N11 | N10 | C60 | C1 | 0.1° | 4.1° |
| N10 | N11 | C56 | H80 | 120.2° | 123.6° |
| N10 | N11 | C56 | H73 | 68.6° | 54.8° |
| N11 | N10 | C59 | H79 | 64.0° | 153.2° |
| N11 | N10 | C59 | H78 | 176.1° | 86.2° |
| C60 | C1 | C21 | H33 | 102.6° | 83.9° |
| C60 | C1 | C21 | H34 | 16.7° | 36.6° |
| C60 | C1 | N1 | H2 | 75.0° | 32.1° |
| C7 | N2 | C3 | H3 | 173.4° | 179.9° |
| C7 | N2 | C4 | H4 | 163.3° | 80.4° |
| C7 | N2 | C4 | H5 | 73.6° | 157.0° |
| N2 | C7 | C6 | H6 | 123.0° | 95.2° |
| N2 | C7 | C6 | H7 | 115.4° | 142.4° |
| N2 | C7 | H8 | H9 | 122.2° | 122.5° |
| C10 | N4 | C15 | H21 | 111.6° | 35.6° |
| C10 | N4 | C15 | H19 | 8.5° | 155.6° |
| C10 | N4 | C15 | H20 | 128.5° | 84.4° |
| S1 | C22 | C21 | H33 | 67.3° | 39.4° |
| S1 | C22 | C21 | H34 | 173.4° | 81.1° |
| C22 | S1 | C24 | H35 | 179.2° | 179.6° |
| C30 | C25 | C26 | H36 | 178.6° | 179.8° |
| C25 | C30 | C29 | H37 | 179.9° | 179.8° |
| N11 | C56 | C57 | H74 | 66.0° | 82.5° |
| N11 | C56 | C57 | H75 | 174.4° | 158.6° |
| C5 | C17 | C16 | H22 | 156.4° | 121.4° |
| C5 | C17 | C16 | H23 | 81.7° | 117.5° |
| C5 | C17 | H24 | H25 | 124.0° | 122.4° |
| C17 | C5 | C4 | H4 | 74.8° | 26.4° |
| C17 | C5 | C4 | H5 | 48.3° | 96.1° |
| C17 | C5 | C6 | H6 | 86.8° | 119.5° |
| C17 | C5 | C6 | H7 | 34.8° | 2.9° |
| C17 | C5 | C8 | H11 | 82.9° | 82.5° |
| C17 | C5 | C8 | H10 | 155.0° | 154.3° |
| C49 | C27 | C26 | H36 | 0.7° | 1.1° |
| C27 | C49 | C50 | H64 | 152.6° | 169.4° |
| C27 | C49 | C50 | H63 | 34.7° | 49.5° |
| C14 | C12 | C11 | H13 | 75.4° | 97.3° |
| C12 | C14 | H18 | H17 | 144.7° | 145.8° |
| C47 | N8 | C41 | H49 | 80.9° | 179.3° |
| C47 | N8 | C41 | H50 | 160.2° | 60.6° |
| N8 | C47 | C46 | H58 | 166.6° | 61.6° |
| N8 | C47 | C46 | H59 | 74.3° | 178.5° |
| N8 | C47 | H61 | H60 | 117.4° | 120.1° |
| C43 | C45 | H57 | H56 | 144.8° | 145.7° |
| H1 | C1 | C21 | H33 | 139.1° | 155.9° |
| H1 | C1 | C21 | H34 | 101.7° | 83.6° |
| H1 | C1 | N1 | H2 | 166.2° | 151.7° |
| H12 | C10 | C11 | H13 | 1.5° | 0.2° |
| H13 | C11 | C12 | H14 | 140.0° | 117.0° |
| H14 | C12 | C13 | H16 | 144.2° | 145.0° |
| H14 | C12 | C13 | H15 | 3.3° | 0.1° |
| H14 | C12 | C14 | H18 | 144.3° | 0.0° |
| H14 | C12 | C14 | H17 | 3.3° | 145.1° |
| H16 | C13 | C14 | H18 | 0.0° | 145.0° |
| H16 | C13 | C14 | H17 | 141.0° | 0.0° |
| H15 | C13 | C14 | H18 | 141.0° | 0.0° |
| H15 | C13 | C14 | H17 | 0.0° | 145.0° |
| H21 | C15 | H19 | H20 | 120.0° | 120.0° |
| H22 | C16 | C17 | H24 | 37.7° | 119.7° |
| H22 | C16 | C17 | H25 | 85.1° | 2.5° |
| H23 | C16 | C17 | H24 | 159.7° | 1.4° |
| H23 | C16 | C17 | H25 | 36.9° | 123.6° |
| H26 | C18 | C19 | H28 | 60.3° | 66.9° |
| H26 | C18 | C19 | H29 | 179.7° | 53.2° |
| H26 | C18 | C19 | H27 | 59.7° | 173.2° |
| H26 | C18 | C20 | H31 | 60.5° | 180.0° |
| H26 | C18 | C20 | H30 | 59.5° | 60.0° |
| H26 | C18 | C20 | H32 | 179.5° | 60.0° |
| H26 | C18 | C3 | H3 | 170.4° | 175.2° |
| H28 | C19 | H29 | H27 | 120.0° | 120.0° |
| H31 | C20 | H30 | H32 | 120.0° | 120.0° |
| H37 | C29 | C30 | H38 | 0.0° | 0.2° |
| H41 | C36 | C37 | H42 | 60.0° | 64.6° |
| H41 | C36 | C37 | H44 | 179.9° | 55.3° |
| H41 | C36 | C37 | H43 | 60.0° | 175.4° |
| H42 | C37 | H44 | H43 | 120.0° | 120.0° |
| H45 | C38 | H47 | H46 | 120.0° | 120.0° |
| H49 | C41 | C42 | H52 | 52.7° | 61.6° |
| H49 | C41 | C42 | H51 | 172.1° | 58.4° |
| H50 | C41 | C42 | H52 | 66.3° | 58.4° |
| H50 | C41 | C42 | H51 | 53.1° | 178.4° |
| H53 | C43 | C44 | H55 | 144.1° | 145.1° |
| H53 | C43 | C44 | H54 | 3.1° | 0.0° |
| H53 | C43 | C45 | H57 | 144.0° | 0.0° |
| H53 | C43 | C45 | H56 | 3.0° | 145.0° |
| H55 | C44 | C45 | H57 | 0.1° | 145.0° |
| H55 | C44 | C45 | H56 | 141.0° | 0.0° |
| H54 | C44 | C45 | H57 | 141.1° | 0.0° |
| H54 | C44 | C45 | H56 | 0.0° | 145.0° |
| H58 | C46 | C47 | H61 | 45.7° | 178.5° |
| H58 | C46 | C47 | H60 | 72.6° | 58.5° |
| H59 | C46 | C47 | H61 | 164.9° | 58.5° |
| H59 | C46 | C47 | H60 | 46.6° | 61.5° |
| H65 | C52 | H66 | H67 | 120.0° | 120.0° |
| H68 | C53 | H69 | H70 | 120.0° | 120.0° |
| H73 | C56 | C57 | H74 | 172.4° | 157.6° |
| H73 | C56 | C57 | H75 | 52.8° | 38.8° |
| H73 | C56 | N11 | H80 | 171.1° | 178.5° |
| H74 | C57 | C58 | H77 | 54.0° | 21.4° |
| H74 | C57 | C58 | H76 | 174.0° | 97.9° |
| H75 | C57 | C58 | H77 | 65.6° | 140.3° |
| H75 | C57 | C58 | H76 | 54.4° | 21.0° |
| H77 | C58 | C59 | H79 | 53.3° | 56.8° |
| H77 | C58 | C59 | H78 | 66.6° | 177.4° |
| H76 | C58 | C59 | H79 | 173.3° | 62.5° |
| H76 | C58 | C59 | H78 | 53.3° | 58.1° |
| H6 | C6 | C7 | H8 | 3.8° | 23.7° |
| H6 | C6 | C7 | H9 | 117.7° | 145.9° |
| H7 | C6 | C7 | H8 | 125.3° | 98.7° |
| H7 | C6 | C7 | H9 | 3.8° | 23.5° |
