A1AZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| C3 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.46Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | O2 | sing | 1.36Å | 1.36Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C27 | sing | 1.35Å | 1.34Å | |
| C27 | O3 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C30 | C31 | sing | 1.54Å | 1.52Å | |
| C31 | C32 | sing | 1.55Å | 1.50Å | |
| C32 | C33 | sing | 1.55Å | 1.52Å | |
| C28 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C34 | sing | 1.47Å | 1.46Å | |
| N4 | C35 | sing | 1.35Å | 1.35Å | |
| C35 | O4 | doub | 1.21Å | 1.23Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C36 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C37 | sing | 1.47Å | 1.46Å | |
| N5 | C38 | sing | 1.35Å | 1.35Å | |
| C38 | O5 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | N6 | sing | 1.47Å | 1.49Å | |
| C26 | C41 | sing | 1.51Å | 1.52Å | |
| C41 | O6 | doub | 1.21Å | 1.22Å | |
| C41 | N7 | sing | 1.35Å | 1.38Å | |
| N7 | C42 | sing | 1.47Å | 1.48Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.52Å | 1.52Å | |
| C44 | C45 | sing | 1.52Å | 1.53Å | |
| C45 | N8 | sing | 1.47Å | 1.45Å | |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C46 | O7 | doub | 1.21Å | 1.20Å | |
| C46 | O8 | sing | 1.34Å | 1.33Å | |
| O8 | C47 | sing | 1.45Å | 1.45Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C48 | C51 | sing | 1.53Å | 1.53Å | |
| N1 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C33 | sing | 1.54Å | 1.55Å | |
| N7 | N8 | sing | 1.37Å | 1.39Å | |
| C4 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C51 | sing | 1.51Å | 1.50Å | |
| C13 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | 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 | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | H60 | sing | 1.09Å | 1.10Å | |
| C47 | H61 | sing | 1.09Å | 1.10Å | |
| C49 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | H64 | sing | 1.09Å | 1.10Å | |
| C49 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C50 | H67 | sing | 1.09Å | 1.10Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C50 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H51 | sing | 1.01Å | 1.00Å | |
| N6 | H50 | sing | 1.01Å | 1.00Å | |
| N8 | H59 | sing | 1.01Å | 1.00Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 108.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.7° | 109.5° |
| C1 | C2 | H5 | 109.7° | 109.5° |
| C2 | N1 | C3 | 126.9° | 125.1° |
| C2 | N1 | C18 | 124.0° | 125.1° |
| N1 | C2 | H4 | 109.7° | 109.4° |
| N1 | C2 | H5 | 109.7° | 109.5° |
| N1 | C3 | C4 | 122.6° | 125.2° |
| N1 | C3 | C12 | 109.2° | 109.6° |
| C3 | N1 | C18 | 108.6° | 109.8° |
| C3 | C4 | C5 | 119.0° | 120.6° |
| C4 | C3 | C12 | 128.2° | 125.2° |
| C3 | C4 | C8 | 123.2° | 120.6° |
| C4 | C5 | C6 | 120.1° | 118.3° |
| C5 | C4 | C8 | 117.8° | 118.9° |
| C4 | C5 | H6 | 120.0° | 120.8° |
| C5 | C6 | C7 | 118.1° | 119.3° |
| C6 | C5 | H6 | 120.0° | 120.9° |
| C5 | C6 | H7 | 121.0° | 120.3° |
| C6 | C7 | N2 | 123.9° | 121.1° |
| C7 | C6 | H7 | 121.0° | 120.4° |
| C6 | C7 | H8 | 118.0° | 119.5° |
| C7 | N2 | C8 | 119.0° | 121.8° |
| N2 | C7 | H8 | 118.1° | 119.4° |
| N2 | C8 | C9 | 114.2° | 119.7° |
| N2 | C8 | C4 | 121.2° | 120.6° |
| C8 | C9 | C10 | 112.8° | 109.5° |
| C8 | C9 | O1 | 106.5° | 109.5° |
| C9 | C8 | C4 | 124.6° | 119.7° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C10 | C9 | O1 | 109.4° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H11 | 109.5° | 109.4° |
| C10 | C9 | H9 | 109.0° | 109.5° |
| C9 | O1 | C11 | 113.4° | 114.0° |
| O1 | C9 | H9 | 110.2° | 109.4° |
| O1 | C11 | H13 | 109.5° | 109.5° |
| O1 | C11 | H15 | 109.5° | 109.5° |
| O1 | C11 | H14 | 109.5° | 109.5° |
| C3 | C12 | C13 | 107.0° | 106.9° |
| C3 | C12 | C51 | 127.3° | 126.6° |
| C12 | C13 | C14 | 133.6° | 133.8° |
| C13 | C12 | C51 | 125.6° | 126.6° |
| C12 | C13 | C18 | 107.3° | 106.3° |
| C13 | C14 | C15 | 119.8° | 119.5° |
| C14 | C13 | C18 | 119.1° | 119.9° |
| C13 | C14 | H16 | 120.1° | 120.3° |
| C14 | C15 | C16 | 119.0° | 120.1° |
| C14 | C15 | C19 | 120.8° | 120.1° |
| C15 | C14 | H16 | 120.1° | 120.3° |
| C15 | C16 | C17 | 122.5° | 120.8° |
| C16 | C15 | C19 | 120.1° | 119.9° |
| C15 | C16 | H17 | 118.7° | 119.6° |
| C16 | C17 | C18 | 117.6° | 120.1° |
| C17 | C16 | H17 | 118.8° | 119.6° |
| C16 | C17 | H18 | 121.2° | 119.9° |
| C17 | C18 | N1 | 130.1° | 133.0° |
| C17 | C18 | C13 | 121.9° | 119.7° |
| C18 | C17 | H18 | 121.2° | 119.9° |
| C15 | C19 | C20 | 120.8° | 120.0° |
| C15 | C19 | C24 | 120.6° | 120.2° |
| C19 | C20 | C21 | 120.1° | 119.8° |
| C20 | C19 | C24 | 118.6° | 119.8° |
| C19 | C20 | H19 | 120.0° | 120.1° |
| C20 | C21 | O2 | 121.9° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C21 | C20 | H19 | 120.0° | 120.1° |
| O2 | C21 | C22 | 117.5° | 120.0° |
| C21 | O2 | H20 | 109.5° | 114.0° |
| C21 | C22 | C23 | 120.3° | 120.2° |
| C21 | C22 | H21 | 119.8° | 119.9° |
| C22 | C23 | C24 | 118.8° | 120.2° |
| C22 | C23 | C25 | 120.2° | 120.0° |
| C23 | C22 | H21 | 119.8° | 119.9° |
| C24 | C23 | C25 | 121.0° | 119.9° |
| C23 | C24 | C19 | 121.7° | 120.0° |
| C23 | C24 | H22 | 119.1° | 120.0° |
| C23 | C25 | C26 | 111.4° | 109.3° |
| C23 | C25 | H24 | 109.0° | 109.5° |
| C23 | C25 | H23 | 109.0° | 109.5° |
| C25 | C26 | N3 | 111.1° | 109.4° |
| C25 | C26 | C41 | 111.0° | 109.8° |
| C26 | C25 | H24 | 109.0° | 109.5° |
| C26 | C25 | H23 | 109.0° | 109.5° |
| C25 | C26 | H25 | 107.4° | 109.4° |
| C26 | N3 | C27 | 122.2° | 120.0° |
| N3 | C26 | C41 | 110.9° | 109.4° |
| N3 | C26 | H25 | 108.6° | 109.5° |
| C26 | N3 | H26 | 118.9° | 120.0° |
| N3 | C27 | O3 | 124.2° | 120.0° |
| N3 | C27 | C28 | 115.6° | 120.0° |
| C27 | N3 | H26 | 118.9° | 120.0° |
| O3 | C27 | C28 | 120.2° | 120.0° |
| C27 | C28 | C29 | 113.1° | 109.4° |
| C27 | C28 | N4 | 106.5° | 109.4° |
| C27 | C28 | H27 | 107.2° | 109.5° |
| C28 | C29 | C30 | 111.0° | 110.0° |
| C29 | C28 | N4 | 114.7° | 109.4° |
| C28 | C29 | C33 | 113.5° | 110.0° |
| C29 | C28 | H27 | 107.1° | 109.5° |
| C28 | C29 | H28 | 109.5° | 110.1° |
| C29 | C30 | C31 | 104.2° | 106.6° |
| C30 | C29 | C33 | 104.0° | 106.6° |
| C30 | C29 | H28 | 109.4° | 110.0° |
| C29 | C30 | H29 | 110.8° | 110.0° |
| C29 | C30 | H30 | 110.8° | 110.0° |
| C30 | C31 | C32 | 102.4° | 104.2° |
| C31 | C30 | H29 | 110.8° | 110.1° |
| C31 | C30 | H30 | 110.7° | 110.0° |
| C30 | C31 | H31 | 111.2° | 110.5° |
| C30 | C31 | H32 | 111.2° | 110.5° |
| C31 | C32 | C33 | 99.5° | 102.8° |
| C32 | C31 | H31 | 111.2° | 110.5° |
| C32 | C31 | H32 | 111.2° | 110.5° |
| C31 | C32 | H34 | 111.9° | 110.8° |
| C31 | C32 | H33 | 111.9° | 110.8° |
| C32 | C33 | C29 | 104.7° | 104.2° |
| C33 | C32 | H34 | 111.9° | 110.7° |
| C33 | C32 | H33 | 111.9° | 110.8° |
| C32 | C33 | H35 | 110.6° | 110.5° |
| C32 | C33 | H36 | 110.7° | 110.5° |
| C28 | N4 | C34 | 121.9° | 120.0° |
| C28 | N4 | C35 | 117.2° | 120.0° |
| N4 | C28 | H27 | 107.8° | 109.5° |
| C34 | N4 | C35 | 120.8° | 120.0° |
| N4 | C34 | H38 | 109.5° | 109.5° |
| N4 | C34 | H37 | 109.5° | 109.5° |
| N4 | C34 | H39 | 109.5° | 109.4° |
| N4 | C35 | O4 | 122.2° | 120.0° |
| N4 | C35 | C36 | 117.1° | 120.0° |
| O4 | C35 | C36 | 120.8° | 120.0° |
| C35 | C36 | N5 | 110.1° | 109.4° |
| C35 | C36 | H41 | 109.3° | 109.5° |
| C35 | C36 | H40 | 109.3° | 109.4° |
| C36 | N5 | C37 | 116.4° | 120.0° |
| C36 | N5 | C38 | 119.0° | 120.0° |
| N5 | C36 | H41 | 109.3° | 109.5° |
| N5 | C36 | H40 | 109.3° | 109.5° |
| C37 | N5 | C38 | 124.6° | 120.0° |
| N5 | C37 | H42 | 109.5° | 109.5° |
| N5 | C37 | H43 | 109.5° | 109.5° |
| N5 | C37 | H44 | 109.5° | 109.5° |
| N5 | C38 | O5 | 119.7° | 120.0° |
| N5 | C38 | C39 | 120.9° | 120.0° |
| O5 | C38 | C39 | 119.4° | 120.0° |
| C38 | C39 | C40 | 110.2° | 109.5° |
| C38 | C39 | N6 | 107.5° | 109.5° |
| C38 | C39 | H45 | 109.7° | 109.4° |
| C40 | C39 | N6 | 109.6° | 109.5° |
| C40 | C39 | H45 | 109.7° | 109.5° |
| C39 | C40 | H48 | 109.5° | 109.5° |
| C39 | C40 | H46 | 109.5° | 109.5° |
| C39 | C40 | H47 | 109.5° | 109.5° |
| N6 | C39 | H45 | 110.2° | 109.5° |
| C39 | N6 | H51 | 109.5° | 111.0° |
| C39 | N6 | H50 | 109.5° | 111.0° |
| C26 | C41 | O6 | 123.0° | 120.4° |
| C26 | C41 | N7 | 115.6° | 119.2° |
| C41 | C26 | H25 | 107.6° | 109.4° |
| O6 | C41 | N7 | 121.3° | 120.4° |
| C41 | N7 | C42 | 122.0° | 121.1° |
| C41 | N7 | N8 | 121.2° | 119.7° |
| N7 | C42 | C43 | 108.2° | 108.6° |
| C42 | N7 | N8 | 116.7° | 119.3° |
| N7 | C42 | H52 | 109.8° | 109.7° |
| N7 | C42 | H53 | 109.8° | 109.7° |
| C42 | C43 | C44 | 111.0° | 111.3° |
| C43 | C42 | H52 | 109.8° | 109.6° |
| C43 | C42 | H53 | 109.8° | 109.6° |
| C42 | C43 | H55 | 109.1° | 109.1° |
| C42 | C43 | H54 | 109.1° | 109.1° |
| C43 | C44 | C45 | 110.8° | 111.6° |
| C44 | C43 | H55 | 109.1° | 109.1° |
| C44 | C43 | H54 | 109.1° | 109.1° |
| C43 | C44 | H57 | 109.2° | 109.0° |
| C43 | C44 | H56 | 109.1° | 109.0° |
| C44 | C45 | N8 | 109.3° | 109.7° |
| C44 | C45 | C46 | 109.0° | 110.2° |
| C45 | C44 | H57 | 109.1° | 109.0° |
| C45 | C44 | H56 | 109.1° | 109.1° |
| C44 | C45 | H58 | 109.7° | 109.8° |
| N8 | C45 | C46 | 108.2° | 109.0° |
| C45 | N8 | N7 | 112.8° | 110.4° |
| N8 | C45 | H58 | 110.7° | 109.1° |
| C45 | N8 | H59 | 108.7° | 111.0° |
| C45 | C46 | O7 | 123.8° | 120.3° |
| C45 | C46 | O8 | 111.5° | 119.3° |
| C46 | C45 | H58 | 109.9° | 109.1° |
| O7 | C46 | O8 | 124.5° | 120.4° |
| C46 | O8 | C47 | 115.6° | 117.4° |
| O8 | C47 | C48 | 107.8° | 109.4° |
| O8 | C47 | H60 | 109.9° | 109.5° |
| O8 | C47 | H61 | 109.9° | 109.5° |
| C47 | C48 | C49 | 110.4° | 109.5° |
| C47 | C48 | C50 | 108.3° | 109.5° |
| C47 | C48 | C51 | 110.1° | 109.3° |
| C48 | C47 | H60 | 109.9° | 109.5° |
| C48 | C47 | H61 | 109.9° | 109.5° |
| C49 | C48 | C50 | 109.8° | 109.5° |
| C49 | C48 | C51 | 107.2° | 109.6° |
| C48 | C49 | H63 | 109.5° | 109.5° |
| C48 | C49 | H64 | 109.5° | 109.5° |
| C48 | C49 | H62 | 109.5° | 109.4° |
| C50 | C48 | C51 | 111.0° | 109.4° |
| C48 | C50 | H67 | 109.5° | 109.5° |
| C48 | C50 | H65 | 109.5° | 109.4° |
| C48 | C50 | H66 | 109.5° | 109.4° |
| C48 | C51 | C12 | 119.7° | 109.8° |
| C48 | C51 | H68 | 106.8° | 109.4° |
| C48 | C51 | H69 | 106.8° | 109.5° |
| N1 | C18 | C13 | 107.9° | 107.3° |
| C19 | C24 | H22 | 119.2° | 120.0° |
| C33 | C29 | H28 | 109.2° | 110.1° |
| C29 | C33 | H35 | 110.7° | 110.5° |
| C29 | C33 | H36 | 110.6° | 110.4° |
| N7 | N8 | H59 | 108.6° | 111.0° |
| C12 | C51 | H68 | 106.8° | 109.3° |
| C12 | C51 | H69 | 106.9° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H12 | C10 | H10 | 109.4° | 109.5° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C11 | H14 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H24 | C25 | H23 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 110.1° |
| H31 | C31 | H32 | 109.5° | 110.5° |
| H34 | C32 | H33 | 109.4° | 110.8° |
| H35 | C33 | H36 | 109.5° | 110.5° |
| H38 | C34 | H37 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H37 | C34 | H39 | 109.5° | 109.5° |
| H41 | C36 | H40 | 109.5° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H44 | 109.5° | 109.4° |
| H43 | C37 | H44 | 109.4° | 109.5° |
| H48 | C40 | H46 | 109.5° | 109.5° |
| H48 | C40 | H47 | 109.5° | 109.4° |
| H46 | C40 | H47 | 109.5° | 109.5° |
| H52 | C42 | H53 | 109.5° | 109.7° |
| H55 | C43 | H54 | 109.5° | 109.1° |
| H57 | C44 | H56 | 109.5° | 109.0° |
| H60 | C47 | H61 | 109.5° | 109.5° |
| H63 | C49 | H64 | 109.4° | 109.5° |
| H63 | C49 | H62 | 109.4° | 109.5° |
| H64 | C49 | H62 | 109.5° | 109.5° |
| H67 | C50 | H65 | 109.5° | 109.6° |
| H67 | C50 | H66 | 109.4° | 109.5° |
| H65 | C50 | H66 | 109.5° | 109.5° |
| H68 | C51 | H69 | 109.5° | 109.4° |
| H51 | N6 | H50 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | H4 | 119.9° | 120.0° |
| C1 | C2 | N1 | H5 | 119.9° | 120.0° |
| C1 | C2 | N1 | C3 | 89.0° | 90.0° |
| C1 | C2 | N1 | C18 | 81.8° | 90.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.4° | 120.0° |
| C2 | N1 | C3 | C18 | 172.0° | 179.9° |
| C2 | N1 | C3 | C4 | 5.3° | 0.8° |
| C2 | N1 | C3 | C12 | 174.1° | 179.3° |
| C2 | N1 | C18 | C17 | 6.3° | 1.7° |
| C2 | N1 | C18 | C13 | 174.0° | 178.1° |
| N1 | C2 | C1 | H1 | 180.0° | 179.9° |
| N1 | C2 | C1 | H2 | 60.0° | 60.0° |
| N1 | C2 | C1 | H3 | 60.0° | 60.1° |
| N1 | C2 | H4 | H5 | 120.4° | 120.0° |
| N1 | C3 | C4 | C12 | 179.4° | 179.9° |
| N1 | C3 | C4 | C5 | 111.6° | 81.8° |
| N1 | C3 | C12 | C13 | 1.7° | 0.9° |
| C3 | N1 | C18 | C17 | 178.5° | 178.4° |
| N1 | C3 | C4 | C8 | 67.8° | 98.4° |
| N1 | C3 | C12 | C51 | 178.1° | 178.8° |
| C3 | N1 | C18 | C13 | 1.7° | 1.8° |
| C3 | N1 | C2 | H4 | 151.1° | 29.9° |
| C3 | N1 | C2 | H5 | 30.8° | 150.0° |
| C3 | C4 | C5 | C8 | 179.4° | 179.7° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C3 | C4 | C8 | N2 | 179.3° | 179.8° |
| C3 | C4 | C8 | C9 | 0.0° | 0.0° |
| C4 | C3 | C12 | C13 | 177.7° | 179.2° |
| C4 | C3 | N1 | C18 | 177.3° | 179.3° |
| C4 | C3 | C12 | C51 | 1.3° | 1.1° |
| C3 | C4 | C5 | H6 | 0.6° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C8 | N2 | 0.1° | 0.5° |
| C5 | C4 | C8 | C9 | 179.3° | 179.7° |
| C5 | C4 | C3 | C12 | 67.8° | 98.3° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | N2 | 0.0° | 0.0° |
| C6 | C5 | C4 | C8 | 0.0° | 0.3° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C6 | C7 | N2 | H8 | 180.0° | 179.9° |
| C6 | C7 | N2 | C8 | 0.1° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 179.5° | 179.7° |
| C7 | N2 | C8 | C4 | 0.1° | 0.5° |
| N2 | C7 | C6 | H7 | 180.0° | 180.0° |
| N2 | C8 | C9 | C4 | 179.3° | 179.7° |
| N2 | C8 | C9 | C10 | 50.7° | 61.2° |
| N2 | C8 | C9 | O1 | 69.3° | 58.9° |
| C8 | N2 | C7 | H8 | 179.9° | 179.8° |
| N2 | C8 | C9 | H9 | 171.9° | 178.8° |
| C8 | C9 | C10 | O1 | 118.3° | 120.0° |
| C8 | C9 | C10 | H9 | 121.2° | 120.0° |
| C8 | C9 | O1 | H9 | 118.1° | 120.0° |
| C8 | C9 | O1 | C11 | 154.9° | 150.0° |
| C8 | C9 | C10 | H12 | 180.0° | 57.2° |
| C8 | C9 | C10 | H10 | 60.0° | 177.2° |
| C8 | C9 | C10 | H11 | 60.0° | 62.9° |
| C10 | C9 | O1 | H9 | 119.8° | 120.0° |
| C10 | C9 | O1 | C11 | 83.0° | 90.0° |
| C10 | C9 | C8 | C4 | 130.0° | 119.1° |
| C9 | C10 | H12 | H10 | 120.0° | 120.0° |
| C9 | C10 | H12 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H11 | 120.0° | 119.9° |
| O1 | C9 | C8 | C4 | 110.1° | 120.9° |
| O1 | C9 | C10 | H12 | 61.7° | 177.2° |
| O1 | C9 | C10 | H10 | 58.3° | 62.8° |
| O1 | C9 | C10 | H11 | 178.3° | 57.1° |
| C9 | O1 | C11 | H13 | 180.0° | 60.0° |
| C9 | O1 | C11 | H15 | 60.0° | 60.0° |
| C9 | O1 | C11 | H14 | 60.0° | 180.0° |
| O1 | C11 | H13 | H15 | 120.0° | 120.0° |
| O1 | C11 | H13 | H14 | 120.0° | 120.0° |
| O1 | C11 | H15 | H14 | 120.0° | 120.0° |
| C11 | O1 | C9 | H9 | 36.8° | 30.0° |
| C3 | C12 | C13 | C51 | 176.5° | 179.7° |
| C3 | C12 | C13 | C14 | 179.8° | 177.9° |
| C3 | C12 | C51 | C48 | 95.4° | 88.4° |
| C12 | C3 | N1 | C18 | 2.1° | 0.6° |
| C12 | C3 | C4 | C8 | 112.9° | 81.4° |
| C3 | C12 | C13 | C18 | 0.7° | 1.9° |
| C3 | C12 | C51 | H68 | 143.1° | 151.5° |
| C3 | C12 | C51 | H69 | 26.0° | 31.8° |
| C12 | C13 | C14 | C18 | 179.5° | 179.8° |
| C12 | C13 | C14 | C15 | 178.8° | 178.8° |
| C12 | C13 | C18 | C17 | 179.6° | 177.9° |
| C13 | C12 | C51 | C48 | 88.8° | 92.0° |
| C12 | C13 | C18 | N1 | 0.6° | 2.3° |
| C12 | C13 | C14 | H16 | 1.2° | 1.3° |
| C13 | C12 | C51 | H68 | 32.6° | 28.1° |
| C13 | C12 | C51 | H69 | 149.8° | 147.9° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 2.6° | 0.3° |
| C14 | C13 | C18 | C17 | 0.8° | 2.3° |
| C13 | C14 | C15 | C19 | 179.0° | 178.8° |
| C14 | C13 | C18 | N1 | 179.0° | 177.6° |
| C14 | C13 | C12 | C51 | 3.3° | 2.5° |
| C14 | C15 | C16 | C19 | 176.5° | 179.1° |
| C14 | C15 | C16 | C17 | 2.7° | 1.4° |
| C14 | C15 | C19 | C20 | 155.6° | 173.3° |
| C14 | C15 | C19 | C24 | 22.5° | 7.3° |
| C15 | C14 | C13 | C18 | 1.7° | 1.4° |
| C14 | C15 | C16 | H17 | 177.3° | 178.7° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.7° | 0.6° |
| C16 | C15 | C19 | C20 | 20.9° | 7.5° |
| C16 | C15 | C19 | C24 | 161.1° | 171.9° |
| C16 | C15 | C14 | H16 | 177.4° | 179.7° |
| C15 | C16 | C17 | H18 | 178.2° | 179.5° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C19 | 179.1° | 177.8° |
| C16 | C17 | C18 | N1 | 178.9° | 178.5° |
| C16 | C17 | C18 | C13 | 0.8° | 1.3° |
| C17 | C18 | N1 | C13 | 179.8° | 179.8° |
| C18 | C17 | C16 | H17 | 178.2° | 179.5° |
| C15 | C19 | C20 | C24 | 178.1° | 179.4° |
| C15 | C19 | C20 | C21 | 179.2° | 179.9° |
| C15 | C19 | C24 | C23 | 179.2° | 179.5° |
| C19 | C15 | C14 | H16 | 1.0° | 1.1° |
| C19 | C15 | C16 | H17 | 0.8° | 2.2° |
| C15 | C19 | C20 | H19 | 0.7° | 0.2° |
| C15 | C19 | C24 | H22 | 0.8° | 0.5° |
| C19 | C20 | C21 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | O2 | 179.5° | 179.6° |
| C19 | C20 | C21 | C22 | 0.7° | 0.5° |
| C20 | C19 | C24 | C23 | 1.1° | 0.1° |
| C20 | C19 | C24 | H22 | 178.9° | 179.9° |
| C20 | C21 | O2 | C22 | 178.8° | 179.9° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C21 | C20 | C19 | C24 | 1.1° | 0.5° |
| C20 | C21 | C22 | H21 | 179.6° | 180.0° |
| C20 | C21 | O2 | H20 | 180.0° | 90.0° |
| O2 | C21 | C22 | C23 | 179.2° | 180.0° |
| O2 | C21 | C20 | H19 | 0.5° | 0.4° |
| O2 | C21 | C22 | H21 | 0.8° | 0.1° |
| C21 | C22 | C23 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.4° |
| C21 | C22 | C23 | C25 | 178.9° | 179.3° |
| C22 | C21 | C20 | H19 | 179.2° | 179.6° |
| C22 | C21 | O2 | H20 | 1.2° | 90.1° |
| C22 | C23 | C24 | C25 | 178.5° | 179.7° |
| C22 | C23 | C25 | C26 | 54.5° | 173.8° |
| C22 | C23 | C24 | C19 | 0.7° | 0.4° |
| C22 | C23 | C24 | H22 | 179.3° | 179.6° |
| C22 | C23 | C25 | H24 | 174.8° | 53.8° |
| C22 | C23 | C25 | H23 | 65.8° | 66.3° |
| C24 | C23 | C25 | C26 | 124.0° | 5.9° |
| C23 | C24 | C19 | H22 | 180.0° | 180.0° |
| C24 | C23 | C22 | H21 | 179.7° | 179.6° |
| C24 | C23 | C25 | H24 | 3.7° | 126.0° |
| C24 | C23 | C25 | H23 | 115.7° | 114.0° |
| C23 | C25 | C26 | H24 | 120.3° | 120.0° |
| C23 | C25 | C26 | H23 | 120.3° | 120.0° |
| C23 | C25 | C26 | N3 | 89.9° | 83.4° |
| C23 | C25 | C26 | C41 | 146.2° | 156.5° |
| C25 | C23 | C24 | C19 | 179.2° | 179.3° |
| C25 | C23 | C22 | H21 | 1.1° | 0.7° |
| C25 | C23 | C24 | H22 | 0.7° | 0.6° |
| C23 | C25 | H24 | H23 | 119.1° | 120.0° |
| C23 | C25 | C26 | H25 | 28.8° | 36.5° |
| C25 | C26 | N3 | C41 | 124.0° | 120.3° |
| C25 | C26 | N3 | H25 | 117.9° | 119.9° |
| C25 | C26 | N3 | C27 | 121.8° | 64.3° |
| C25 | C26 | C41 | H25 | 117.3° | 120.0° |
| C25 | C26 | C41 | O6 | 101.6° | 5.9° |
| C25 | C26 | C41 | N7 | 82.4° | 174.1° |
| C26 | C25 | H24 | H23 | 119.1° | 120.1° |
| C25 | C26 | N3 | H26 | 58.2° | 115.7° |
| C26 | N3 | C27 | H26 | 180.0° | 180.0° |
| C26 | N3 | C27 | O3 | 4.0° | 5.6° |
| C26 | N3 | C27 | C28 | 174.4° | 174.4° |
| N3 | C26 | C41 | H25 | 118.7° | 119.9° |
| N3 | C26 | C41 | O6 | 22.3° | 125.9° |
| N3 | C26 | C41 | N7 | 153.7° | 54.0° |
| N3 | C26 | C25 | H24 | 149.8° | 156.6° |
| N3 | C26 | C25 | H23 | 30.4° | 36.6° |
| N3 | C27 | O3 | C28 | 178.3° | 180.0° |
| N3 | C27 | C28 | C29 | 124.1° | 83.5° |
| N3 | C27 | C28 | N4 | 109.0° | 156.6° |
| C27 | N3 | C26 | C41 | 114.3° | 55.9° |
| C27 | N3 | C26 | H25 | 3.8° | 175.8° |
| N3 | C27 | C28 | H27 | 6.3° | 36.5° |
| O3 | C27 | C28 | C29 | 57.5° | 96.4° |
| O3 | C27 | C28 | N4 | 69.5° | 23.5° |
| O3 | C27 | C28 | H27 | 175.3° | 143.5° |
| O3 | C27 | N3 | H26 | 176.0° | 174.4° |
| C27 | C28 | C29 | N4 | 122.5° | 119.9° |
| C27 | C28 | C29 | H27 | 117.9° | 120.1° |
| C27 | C28 | C29 | C30 | 65.0° | 62.5° |
| C27 | C28 | N4 | H27 | 114.8° | 120.1° |
| C27 | C28 | N4 | C34 | 84.6° | 66.1° |
| C27 | C28 | N4 | C35 | 91.5° | 113.9° |
| C27 | C28 | C29 | C33 | 178.3° | 179.5° |
| C27 | C28 | C29 | H28 | 55.9° | 59.0° |
| C28 | C27 | N3 | H26 | 5.6° | 5.6° |
| C28 | C29 | C30 | C33 | 122.4° | 119.2° |
| C28 | C29 | C30 | H28 | 121.0° | 121.4° |
| C28 | C29 | C30 | C31 | 110.3° | 119.2° |
| C28 | C29 | C33 | C32 | 139.3° | 142.8° |
| C29 | C28 | N4 | H27 | 119.2° | 120.0° |
| C29 | C28 | N4 | C34 | 41.4° | 53.8° |
| C29 | C28 | N4 | C35 | 142.6° | 126.1° |
| C28 | C29 | C33 | H28 | 122.5° | 121.5° |
| C28 | C29 | C30 | H29 | 130.6° | 121.5° |
| C28 | C29 | C30 | H30 | 8.9° | 0.1° |
| C28 | C29 | C33 | H35 | 101.5° | 24.1° |
| C28 | C29 | C33 | H36 | 20.0° | 98.5° |
| C29 | C30 | C31 | H29 | 119.1° | 119.3° |
| C29 | C30 | C31 | H30 | 119.2° | 119.3° |
| C29 | C30 | C31 | C32 | 39.0° | 23.6° |
| C30 | C29 | C33 | C32 | 18.5° | 23.6° |
| C30 | C29 | C28 | N4 | 172.5° | 177.6° |
| C30 | C29 | C33 | H28 | 116.7° | 119.3° |
| C30 | C29 | C28 | H27 | 52.8° | 57.6° |
| C29 | C30 | H29 | H30 | 122.5° | 121.4° |
| C29 | C30 | C31 | H31 | 157.9° | 142.3° |
| C29 | C30 | C31 | H32 | 79.8° | 95.1° |
| C30 | C29 | C33 | H35 | 137.8° | 95.1° |
| C30 | C29 | C33 | H36 | 100.7° | 142.3° |
| C30 | C31 | C32 | H31 | 118.9° | 118.7° |
| C30 | C31 | C32 | H32 | 118.9° | 118.7° |
| C30 | C31 | C32 | C33 | 50.0° | 38.0° |
| C31 | C30 | C29 | C33 | 12.1° | 0.0° |
| C31 | C30 | C29 | H28 | 128.7° | 119.4° |
| C31 | C30 | H29 | H30 | 122.4° | 121.4° |
| C30 | C31 | H31 | H32 | 123.3° | 122.6° |
| C30 | C31 | C32 | H34 | 68.4° | 80.3° |
| C30 | C31 | C32 | H33 | 168.3° | 156.3° |
| C31 | C32 | C33 | H34 | 118.4° | 118.3° |
| C31 | C32 | C33 | H33 | 118.4° | 118.3° |
| C31 | C32 | C33 | C29 | 42.2° | 38.0° |
| C32 | C31 | C30 | H29 | 80.1° | 95.6° |
| C32 | C31 | C30 | H30 | 158.2° | 142.9° |
| C32 | C31 | H31 | H32 | 123.3° | 122.6° |
| C31 | C32 | H34 | H33 | 124.7° | 123.3° |
| C31 | C32 | C33 | H35 | 161.5° | 80.7° |
| C31 | C32 | C33 | H36 | 77.0° | 156.6° |
| C32 | C33 | C29 | H35 | 119.2° | 118.7° |
| C32 | C33 | C29 | H36 | 119.3° | 118.7° |
| C32 | C33 | C29 | H28 | 98.2° | 95.7° |
| C33 | C32 | C31 | H31 | 168.8° | 156.6° |
| C33 | C32 | C31 | H32 | 68.9° | 80.7° |
| C33 | C32 | H34 | H33 | 124.6° | 123.3° |
| C32 | C33 | H35 | H36 | 122.2° | 122.7° |
| C28 | N4 | C34 | C35 | 175.9° | 180.0° |
| C28 | N4 | C35 | O4 | 3.2° | 5.3° |
| C28 | N4 | C35 | C36 | 177.2° | 174.7° |
| N4 | C28 | C29 | C33 | 55.8° | 60.5° |
| N4 | C28 | C29 | H28 | 66.6° | 61.0° |
| C28 | N4 | C34 | H38 | 180.0° | 94.7° |
| C28 | N4 | C34 | H37 | 60.0° | 145.3° |
| C28 | N4 | C34 | H39 | 60.0° | 25.3° |
| C34 | N4 | C35 | O4 | 172.8° | 174.7° |
| C34 | N4 | C35 | C36 | 6.7° | 5.2° |
| C34 | N4 | C28 | H27 | 160.6° | 173.8° |
| N4 | C34 | H38 | H37 | 120.0° | 120.0° |
| N4 | C34 | H38 | H39 | 120.0° | 120.0° |
| N4 | C34 | H37 | H39 | 120.0° | 120.0° |
| N4 | C35 | O4 | C36 | 179.6° | 179.9° |
| N4 | C35 | C36 | N5 | 178.0° | 176.1° |
| C35 | N4 | C28 | H27 | 23.4° | 6.1° |
| C35 | N4 | C34 | H38 | 4.1° | 85.3° |
| C35 | N4 | C34 | H37 | 115.9° | 34.7° |
| C35 | N4 | C34 | H39 | 124.1° | 154.7° |
| N4 | C35 | C36 | H41 | 61.9° | 56.1° |
| N4 | C35 | C36 | H40 | 57.9° | 63.9° |
| O4 | C35 | C36 | N5 | 2.4° | 3.8° |
| O4 | C35 | C36 | H41 | 117.7° | 123.8° |
| O4 | C35 | C36 | H40 | 122.5° | 116.2° |
| C35 | C36 | N5 | H41 | 120.1° | 120.0° |
| C35 | C36 | N5 | H40 | 120.1° | 120.0° |
| C35 | C36 | N5 | C37 | 100.6° | 94.1° |
| C35 | C36 | N5 | C38 | 78.7° | 85.9° |
| C35 | C36 | H41 | H40 | 119.8° | 120.0° |
| C36 | N5 | C37 | C38 | 179.3° | 180.0° |
| C36 | N5 | C38 | O5 | 0.8° | 5.7° |
| C36 | N5 | C38 | C39 | 178.1° | 174.3° |
| N5 | C36 | H41 | H40 | 119.7° | 120.0° |
| C36 | N5 | C37 | H42 | 180.0° | 87.7° |
| C36 | N5 | C37 | H43 | 60.0° | 152.3° |
| C36 | N5 | C37 | H44 | 60.0° | 32.3° |
| C37 | N5 | C38 | O5 | 178.4° | 174.3° |
| C37 | N5 | C38 | C39 | 2.7° | 5.7° |
| C37 | N5 | C36 | H41 | 19.5° | 25.9° |
| C37 | N5 | C36 | H40 | 139.3° | 145.9° |
| N5 | C37 | H42 | H43 | 120.0° | 120.0° |
| N5 | C37 | H42 | H44 | 120.0° | 120.0° |
| N5 | C37 | H43 | H44 | 120.0° | 120.0° |
| N5 | C38 | O5 | C39 | 178.9° | 180.0° |
| N5 | C38 | C39 | C40 | 103.9° | 82.6° |
| N5 | C38 | C39 | N6 | 136.8° | 157.4° |
| C38 | N5 | C36 | H41 | 161.2° | 154.0° |
| C38 | N5 | C36 | H40 | 41.4° | 34.0° |
| C38 | N5 | C37 | H42 | 0.8° | 92.3° |
| C38 | N5 | C37 | H43 | 119.3° | 27.7° |
| C38 | N5 | C37 | H44 | 120.8° | 147.7° |
| N5 | C38 | C39 | H45 | 17.0° | 37.4° |
| O5 | C38 | C39 | C40 | 75.0° | 97.4° |
| O5 | C38 | C39 | N6 | 44.4° | 22.6° |
| O5 | C38 | C39 | H45 | 164.1° | 142.6° |
| C38 | C39 | C40 | N6 | 118.1° | 120.0° |
| C38 | C39 | C40 | H45 | 120.8° | 120.0° |
| C38 | C39 | N6 | H45 | 119.4° | 119.9° |
| C38 | C39 | C40 | H48 | 180.0° | 55.0° |
| C38 | C39 | C40 | H46 | 60.0° | 175.0° |
| C38 | C39 | C40 | H47 | 60.0° | 64.9° |
| C38 | C39 | N6 | H51 | 180.0° | 60.0° |
| C38 | C39 | N6 | H50 | 60.0° | 63.9° |
| C40 | C39 | N6 | H45 | 120.8° | 120.0° |
| C39 | C40 | H48 | H46 | 120.0° | 120.0° |
| C39 | C40 | H48 | H47 | 120.0° | 120.0° |
| C39 | C40 | H46 | H47 | 120.0° | 120.0° |
| C40 | C39 | N6 | H51 | 60.2° | 60.0° |
| C40 | C39 | N6 | H50 | 59.7° | 176.1° |
| N6 | C39 | C40 | H48 | 61.9° | 65.0° |
| N6 | C39 | C40 | H46 | 178.1° | 55.0° |
| N6 | C39 | C40 | H47 | 58.1° | 175.0° |
| C39 | N6 | H51 | H50 | 120.0° | 124.0° |
| C26 | C41 | O6 | N7 | 175.8° | 180.0° |
| C26 | C41 | N7 | C42 | 178.3° | 179.2° |
| C26 | C41 | N7 | N8 | 3.4° | 0.7° |
| C41 | C26 | C25 | H24 | 25.9° | 36.6° |
| C41 | C26 | C25 | H23 | 93.5° | 83.5° |
| C41 | C26 | N3 | H26 | 65.7° | 124.1° |
| O6 | C41 | N7 | C42 | 2.2° | 0.8° |
| O6 | C41 | N7 | N8 | 179.5° | 179.3° |
| O6 | C41 | C26 | H25 | 141.0° | 114.2° |
| C41 | N7 | C42 | N8 | 178.4° | 179.9° |
| C41 | N7 | C42 | C43 | 124.5° | 151.0° |
| C41 | N7 | N8 | C45 | 120.6° | 148.6° |
| N7 | C41 | C26 | H25 | 35.0° | 65.9° |
| C41 | N7 | C42 | H52 | 4.7° | 31.3° |
| C41 | N7 | C42 | H53 | 115.7° | 89.3° |
| C41 | N7 | N8 | H59 | 0.0° | 25.0° |
| N7 | C42 | C43 | H52 | 119.8° | 119.8° |
| N7 | C42 | C43 | H53 | 119.8° | 119.8° |
| N7 | C42 | C43 | C44 | 51.1° | 56.6° |
| C42 | N7 | N8 | C45 | 57.9° | 31.3° |
| N7 | C42 | H52 | H53 | 120.6° | 120.5° |
| N7 | C42 | C43 | H55 | 69.1° | 177.1° |
| N7 | C42 | C43 | H54 | 171.3° | 63.9° |
| C42 | N7 | N8 | H59 | 178.4° | 154.9° |
| C42 | C43 | C44 | H55 | 120.2° | 120.5° |
| C42 | C43 | C44 | H54 | 120.2° | 120.4° |
| C42 | C43 | C44 | C45 | 54.6° | 23.2° |
| C43 | C42 | N7 | N8 | 53.9° | 29.1° |
| C43 | C42 | H52 | H53 | 120.6° | 120.4° |
| C42 | C43 | H55 | H54 | 119.3° | 119.0° |
| C42 | C43 | C44 | H57 | 174.8° | 97.3° |
| C42 | C43 | C44 | H56 | 65.6° | 143.8° |
| C43 | C44 | C45 | H57 | 120.2° | 120.5° |
| C43 | C44 | C45 | H56 | 120.2° | 120.6° |
| C43 | C44 | C45 | N8 | 55.3° | 35.8° |
| C43 | C44 | C45 | C46 | 173.4° | 155.8° |
| C44 | C43 | C42 | H52 | 170.9° | 176.3° |
| C44 | C43 | C42 | H53 | 68.7° | 63.2° |
| C44 | C43 | H55 | H54 | 119.3° | 119.2° |
| C43 | C44 | H57 | H56 | 119.4° | 118.9° |
| C43 | C44 | C45 | H58 | 66.3° | 84.1° |
| C44 | C45 | N8 | C46 | 118.6° | 120.7° |
| C44 | C45 | N8 | H58 | 120.9° | 120.3° |
| C44 | C45 | C46 | H58 | 120.2° | 120.6° |
| C44 | C45 | C46 | O7 | 109.9° | 6.2° |
| C44 | C45 | C46 | O8 | 65.6° | 173.7° |
| C44 | C45 | N8 | N7 | 55.9° | 66.1° |
| C45 | C44 | C43 | H55 | 65.6° | 143.7° |
| C45 | C44 | C43 | H54 | 174.9° | 97.2° |
| C45 | C44 | H57 | H56 | 119.4° | 119.0° |
| C44 | C45 | N8 | H59 | 176.4° | 170.4° |
| N8 | C45 | C46 | H58 | 121.0° | 119.0° |
| N8 | C45 | C46 | O7 | 8.9° | 126.7° |
| N8 | C45 | C46 | O8 | 175.6° | 53.2° |
| C45 | N8 | N7 | H59 | 120.5° | 123.6° |
| N8 | C45 | C44 | H57 | 175.5° | 156.3° |
| N8 | C45 | C44 | H56 | 64.9° | 84.8° |
| C45 | C46 | O7 | O8 | 175.0° | 179.9° |
| C45 | C46 | O8 | C47 | 168.8° | 179.2° |
| C46 | C45 | N8 | N7 | 174.5° | 173.2° |
| C46 | C45 | C44 | H57 | 66.4° | 83.7° |
| C46 | C45 | C44 | H56 | 53.2° | 35.2° |
| C46 | C45 | N8 | H59 | 65.0° | 49.7° |
| O7 | C46 | O8 | C47 | 6.7° | 0.9° |
| O7 | C46 | C45 | H58 | 129.9° | 114.3° |
| C46 | O8 | C47 | C48 | 175.4° | 171.4° |
| O8 | C46 | C45 | H58 | 54.6° | 65.8° |
| C46 | O8 | C47 | H60 | 55.6° | 68.6° |
| C46 | O8 | C47 | H61 | 64.9° | 51.4° |
| O8 | C47 | C48 | H60 | 119.7° | 120.0° |
| O8 | C47 | C48 | H61 | 119.8° | 120.0° |
| O8 | C47 | C48 | C49 | 49.3° | 18.8° |
| O8 | C47 | C48 | C50 | 169.5° | 138.8° |
| O8 | C47 | C48 | C51 | 69.0° | 101.3° |
| O8 | C47 | H60 | H61 | 120.8° | 120.0° |
| C47 | C48 | C49 | C50 | 119.4° | 120.0° |
| C47 | C48 | C49 | C51 | 120.0° | 119.9° |
| C47 | C48 | C50 | C51 | 121.0° | 119.8° |
| C47 | C48 | C51 | C12 | 63.8° | 165.2° |
| C48 | C47 | H60 | H61 | 120.8° | 120.0° |
| C47 | C48 | C49 | H63 | 180.0° | 60.0° |
| C47 | C48 | C49 | H64 | 60.0° | 180.0° |
| C47 | C48 | C49 | H62 | 60.0° | 60.0° |
| C47 | C48 | C50 | H67 | 180.0° | 71.8° |
| C47 | C48 | C50 | H65 | 60.0° | 168.1° |
| C47 | C48 | C50 | H66 | 60.0° | 48.2° |
| C47 | C48 | C51 | H68 | 57.6° | 45.2° |
| C47 | C48 | C51 | H69 | 174.7° | 74.6° |
| C49 | C48 | C50 | C51 | 118.4° | 120.2° |
| C49 | C48 | C51 | C12 | 176.1° | 45.2° |
| C49 | C48 | C47 | H60 | 70.5° | 138.7° |
| C49 | C48 | C47 | H61 | 169.0° | 101.3° |
| C48 | C49 | H63 | H64 | 120.0° | 120.0° |
| C48 | C49 | H63 | H62 | 120.0° | 119.9° |
| C48 | C49 | H64 | H62 | 120.0° | 119.9° |
| C49 | C48 | C50 | H67 | 59.4° | 168.1° |
| C49 | C48 | C50 | H65 | 60.6° | 48.1° |
| C49 | C48 | C50 | H66 | 179.4° | 71.9° |
| C49 | C48 | C51 | H68 | 62.5° | 74.8° |
| C49 | C48 | C51 | H69 | 54.6° | 165.3° |
| C50 | C48 | C51 | C12 | 56.2° | 74.9° |
| C50 | C48 | C47 | H60 | 49.7° | 101.2° |
| C50 | C48 | C47 | H61 | 70.8° | 18.8° |
| C50 | C48 | C49 | H63 | 60.7° | 60.1° |
| C50 | C48 | C49 | H64 | 179.4° | 60.0° |
| C50 | C48 | C49 | H62 | 59.3° | 179.9° |
| C48 | C50 | H67 | H65 | 120.0° | 120.0° |
| C48 | C50 | H67 | H66 | 120.0° | 120.0° |
| C48 | C50 | H65 | H66 | 120.0° | 119.9° |
| C50 | C48 | C51 | H68 | 177.6° | 165.1° |
| C50 | C48 | C51 | H69 | 65.3° | 45.2° |
| C48 | C51 | C12 | H68 | 121.4° | 120.1° |
| C48 | C51 | C12 | H69 | 121.4° | 120.2° |
| C51 | C48 | C47 | H60 | 171.3° | 18.6° |
| C51 | C48 | C47 | H61 | 50.8° | 138.6° |
| C51 | C48 | C49 | H63 | 60.0° | 179.9° |
| C51 | C48 | C49 | H64 | 60.0° | 60.0° |
| C51 | C48 | C49 | H62 | 180.0° | 59.9° |
| C51 | C48 | C50 | H67 | 58.9° | 48.0° |
| C51 | C48 | C50 | H65 | 179.0° | 72.1° |
| C51 | C48 | C50 | H66 | 61.0° | 168.0° |
| C48 | C51 | H68 | H69 | 115.3° | 119.9° |
| N1 | C18 | C17 | H18 | 1.1° | 1.5° |
| C18 | N1 | C2 | H4 | 38.1° | 149.9° |
| C18 | N1 | C2 | H5 | 158.3° | 29.9° |
| C24 | C19 | C20 | H19 | 178.9° | 179.6° |
| C33 | C29 | C28 | H27 | 63.9° | 59.5° |
| C33 | C29 | C30 | H29 | 107.0° | 119.3° |
| C33 | C29 | C30 | H30 | 131.2° | 119.3° |
| C29 | C33 | C32 | H34 | 76.1° | 80.3° |
| C29 | C33 | C32 | H33 | 160.6° | 156.3° |
| C29 | C33 | H35 | H36 | 122.2° | 122.5° |
| N8 | N7 | C42 | H52 | 173.7° | 148.8° |
| N8 | N7 | C42 | H53 | 65.9° | 90.6° |
| N7 | N8 | C45 | H58 | 65.0° | 54.2° |
| C8 | C4 | C5 | H6 | 180.0° | 179.8° |
| C4 | C8 | C9 | H9 | 8.8° | 0.9° |
| C51 | C12 | C13 | C18 | 177.2° | 177.7° |
| C12 | C51 | H68 | H69 | 115.4° | 119.8° |
| C18 | C13 | C14 | H16 | 178.3° | 178.5° |
| C13 | C18 | C17 | H18 | 179.2° | 178.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.2° | 60.0° |
| H1 | C1 | C2 | H5 | 60.1° | 60.0° |
| H2 | C1 | C2 | H4 | 59.8° | 60.0° |
| H2 | C1 | C2 | H5 | 179.9° | 180.0° |
| H3 | C1 | C2 | H4 | 179.8° | 180.0° |
| H3 | C1 | C2 | H5 | 59.9° | 60.0° |
| H12 | C10 | H10 | H11 | 120.0° | 120.1° |
| H12 | C10 | C9 | H9 | 58.8° | 62.8° |
| H10 | C10 | C9 | H9 | 178.8° | 57.2° |
| H11 | C10 | C9 | H9 | 61.2° | 177.1° |
| H13 | C11 | H15 | H14 | 120.0° | 120.0° |
| H17 | C16 | C17 | H18 | 1.8° | 0.5° |
| H24 | C25 | C26 | H25 | 91.5° | 83.5° |
| H23 | C25 | C26 | H25 | 149.0° | 156.5° |
| H25 | C26 | N3 | H26 | 176.2° | 4.2° |
| H27 | C28 | C29 | H28 | 173.8° | 179.0° |
| H28 | C29 | C30 | H29 | 9.6° | 0.0° |
| H28 | C29 | C30 | H30 | 112.2° | 121.4° |
| H28 | C29 | C33 | H35 | 21.1° | 145.6° |
| H28 | C29 | C33 | H36 | 142.5° | 23.0° |
| H29 | C30 | C31 | H31 | 38.8° | 23.0° |
| H29 | C30 | C31 | H32 | 161.0° | 145.7° |
| H30 | C30 | C31 | H31 | 82.9° | 98.4° |
| H30 | C30 | C31 | H32 | 39.3° | 24.2° |
| H31 | C31 | C32 | H34 | 50.5° | 38.3° |
| H31 | C31 | C32 | H33 | 72.8° | 85.0° |
| H32 | C31 | C32 | H34 | 172.7° | 161.0° |
| H32 | C31 | C32 | H33 | 49.5° | 37.6° |
| H34 | C32 | C33 | H35 | 43.1° | 161.0° |
| H34 | C32 | C33 | H36 | 164.6° | 38.3° |
| H33 | C32 | C33 | H35 | 80.1° | 37.6° |
| H33 | C32 | C33 | H36 | 41.4° | 85.1° |
| H38 | C34 | H37 | H39 | 120.0° | 120.0° |
| H42 | C37 | H43 | H44 | 120.0° | 120.0° |
| H45 | C39 | C40 | H48 | 59.2° | 175.0° |
| H45 | C39 | C40 | H46 | 60.8° | 65.0° |
| H45 | C39 | C40 | H47 | 179.2° | 55.0° |
| H45 | C39 | N6 | H51 | 60.6° | 180.0° |
| H45 | C39 | N6 | H50 | 179.5° | 56.1° |
| H48 | C40 | H46 | H47 | 120.0° | 120.0° |
| H52 | C42 | C43 | H55 | 50.7° | 63.2° |
| H52 | C42 | C43 | H54 | 68.9° | 55.9° |
| H53 | C42 | C43 | H55 | 171.0° | 57.3° |
| H53 | C42 | C43 | H54 | 51.5° | 176.3° |
| H55 | C43 | C44 | H57 | 54.6° | 23.2° |
| H55 | C43 | C44 | H56 | 174.2° | 95.7° |
| H54 | C43 | C44 | H57 | 64.9° | 142.3° |
| H54 | C43 | C44 | H56 | 54.7° | 23.4° |
| H57 | C44 | C45 | H58 | 53.9° | 36.4° |
| H56 | C44 | C45 | H58 | 173.5° | 155.4° |
| H58 | C45 | N8 | H59 | 55.5° | 69.3° |
| H63 | C49 | H64 | H62 | 120.0° | 120.1° |
| H6 | C5 | C6 | H7 | 0.0° | 0.1° |
| H67 | C50 | H65 | H66 | 119.9° | 120.1° |
| H7 | C6 | C7 | H8 | 0.0° | 0.1° |
