A1H83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.34Å | 1.37Å | |
| N | C3 | sing | 1.34Å | 1.37Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.35Å | 1.40Å | |
| O1 | C5 | doub | 1.21Å | 1.22Å | |
| C6 | N1 | sing | 1.34Å | 1.40Å | |
| C7 | C6 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.48Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C12 | sing | 1.36Å | 1.37Å | |
| C13 | O2 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | N4 | sing | 1.47Å | 1.46Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| N5 | C20 | sing | 1.47Å | 1.46Å | |
| N5 | C21 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C27 | sing | 1.36Å | 1.37Å | |
| C28 | O3 | sing | 1.43Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| N6 | C30 | sing | 1.47Å | 1.47Å | |
| C31 | N6 | sing | 1.47Å | 1.46Å | |
| C32 | N6 | sing | 1.47Å | 1.46Å | |
| C27 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C35 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.41Å | 1.39Å | Aromatic |
| C36 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.37Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.49Å | 1.48Å | |
| C40 | C41 | doub | 1.37Å | 1.36Å | Aromatic |
| C42 | C41 | sing | 1.51Å | 1.48Å | |
| C41 | O4 | sing | 1.34Å | 1.35Å | Aromatic |
| O4 | N8 | sing | 1.21Å | 1.42Å | Aromatic |
| N8 | C43 | doub | 1.30Å | 1.31Å | Aromatic |
| C43 | C40 | sing | 1.42Å | 1.41Å | Aromatic |
| C44 | C43 | sing | 1.51Å | 1.49Å | |
| C45 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C45 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C46 | sing | 1.47Å | 1.46Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C47 | N3 | sing | 1.47Å | 1.47Å | |
| O5 | C15 | doub | 1.21Å | 1.23Å | |
| O6 | C6 | doub | 1.21Å | 1.22Å | |
| C3 | O7 | doub | 1.21Å | 1.23Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.08Å | 1.08Å | |
| C38 | H45 | sing | 1.08Å | 1.08Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H47 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.08Å | 1.08Å | |
| C33 | H42 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 122.6° | 119.3° |
| O | C | N | 120.2° | 119.3° |
| C | C1 | C2 | 113.0° | 109.3° |
| C1 | C | N | 117.3° | 121.3° |
| C | C1 | H1 | 108.6° | 109.5° |
| C | C1 | H | 108.6° | 109.5° |
| C1 | C2 | C4 | 108.7° | 108.9° |
| C1 | C2 | H3 | 109.6° | 109.2° |
| C1 | C2 | H2 | 109.6° | 109.9° |
| C2 | C1 | H1 | 108.6° | 109.1° |
| C2 | C1 | H | 108.6° | 109.8° |
| C | N | C3 | 126.7° | 122.6° |
| C | N | H4 | 116.7° | 118.7° |
| N | C3 | C4 | 117.0° | 121.2° |
| N | C3 | O7 | 121.6° | 119.4° |
| C3 | N | H4 | 116.6° | 118.7° |
| C3 | C4 | C2 | 111.7° | 109.2° |
| C3 | C4 | N1 | 111.2° | 109.5° |
| C4 | C3 | O7 | 121.3° | 119.4° |
| C3 | C4 | H5 | 106.1° | 109.5° |
| C2 | C4 | N1 | 114.5° | 109.6° |
| C2 | C4 | H5 | 106.0° | 109.5° |
| C4 | C2 | H3 | 109.7° | 109.6° |
| C4 | C2 | H2 | 109.7° | 109.6° |
| C4 | N1 | C5 | 122.2° | 124.4° |
| C4 | N1 | C6 | 126.3° | 124.5° |
| N1 | C4 | H5 | 106.7° | 109.5° |
| N1 | C5 | O1 | 124.8° | 125.8° |
| C5 | N1 | C6 | 111.5° | 111.1° |
| N1 | C5 | C8 | 106.0° | 108.5° |
| O1 | C5 | C8 | 129.1° | 125.7° |
| N1 | C6 | C7 | 106.1° | 108.6° |
| N1 | C6 | O6 | 124.9° | 125.7° |
| C6 | C7 | C8 | 108.0° | 106.0° |
| C6 | C7 | C12 | 134.5° | 134.3° |
| C7 | C6 | O6 | 129.1° | 125.7° |
| C7 | C8 | C5 | 108.4° | 105.8° |
| C7 | C8 | C9 | 121.9° | 119.9° |
| C8 | C7 | C12 | 117.5° | 119.8° |
| C5 | C8 | C9 | 129.7° | 134.3° |
| C8 | C9 | C10 | 119.2° | 119.8° |
| C8 | C9 | H6 | 120.4° | 120.1° |
| C9 | C10 | C11 | 120.5° | 120.6° |
| C9 | C10 | H7 | 119.7° | 119.7° |
| C10 | C9 | H6 | 120.4° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.4° |
| C10 | C11 | H8 | 120.1° | 119.8° |
| C11 | C10 | H7 | 119.8° | 119.7° |
| C11 | C12 | C7 | 121.1° | 119.5° |
| C11 | C12 | O2 | 122.4° | 120.2° |
| C12 | C11 | H8 | 120.1° | 119.8° |
| C7 | C12 | O2 | 116.4° | 120.2° |
| C12 | O2 | C13 | 116.7° | 117.0° |
| O2 | C13 | C14 | 107.9° | 109.4° |
| O2 | C13 | H10 | 109.9° | 109.5° |
| O2 | C13 | H9 | 109.9° | 109.4° |
| C13 | C14 | N2 | 111.9° | 109.5° |
| C14 | C13 | H10 | 109.9° | 109.5° |
| C14 | C13 | H9 | 109.8° | 109.5° |
| C13 | C14 | H12 | 108.8° | 109.4° |
| C13 | C14 | H11 | 108.9° | 109.5° |
| C14 | N2 | C15 | 122.1° | 120.0° |
| N2 | C14 | H12 | 108.9° | 109.5° |
| N2 | C14 | H11 | 108.9° | 109.5° |
| C14 | N2 | H13 | 118.9° | 120.0° |
| N2 | C15 | C16 | 115.1° | 120.0° |
| N2 | C15 | O5 | 123.4° | 119.9° |
| C15 | N2 | H13 | 118.9° | 119.9° |
| C15 | C16 | N3 | 110.9° | 109.5° |
| C16 | C15 | O5 | 121.5° | 120.0° |
| C15 | C16 | H15 | 109.1° | 109.5° |
| C15 | C16 | H14 | 109.1° | 109.5° |
| C16 | N3 | C17 | 111.6° | 111.0° |
| C16 | N3 | C47 | 110.9° | 111.0° |
| N3 | C16 | H15 | 109.1° | 109.5° |
| N3 | C16 | H14 | 109.1° | 109.5° |
| N3 | C17 | C18 | 110.2° | 109.4° |
| C17 | N3 | C47 | 109.7° | 110.9° |
| N3 | C17 | H16 | 109.3° | 109.5° |
| N3 | C17 | H17 | 109.3° | 109.5° |
| C17 | C18 | N4 | 110.4° | 109.3° |
| C17 | C18 | H18 | 109.3° | 109.6° |
| C17 | C18 | H19 | 109.2° | 109.5° |
| C18 | C17 | H16 | 109.3° | 109.4° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | N4 | C19 | 111.3° | 111.0° |
| C18 | N4 | C46 | 109.1° | 110.9° |
| N4 | C18 | H18 | 109.2° | 109.5° |
| N4 | C18 | H19 | 109.2° | 109.4° |
| N4 | C19 | C20 | 110.9° | 109.5° |
| C19 | N4 | C46 | 110.9° | 111.0° |
| N4 | C19 | H20 | 109.1° | 109.5° |
| N4 | C19 | H21 | 109.1° | 109.4° |
| C19 | C20 | N5 | 111.7° | 109.5° |
| C20 | C19 | H20 | 109.1° | 109.5° |
| C20 | C19 | H21 | 109.1° | 109.5° |
| C19 | C20 | H23 | 108.9° | 109.5° |
| C19 | C20 | H22 | 108.9° | 109.5° |
| C20 | N5 | C21 | 128.0° | 126.3° |
| C20 | N5 | C36 | 125.4° | 126.3° |
| N5 | C20 | H23 | 108.9° | 109.4° |
| N5 | C20 | H22 | 108.9° | 109.5° |
| N5 | C21 | C22 | 121.9° | 124.9° |
| N5 | C21 | N7 | 113.0° | 110.1° |
| C21 | N5 | C36 | 106.5° | 107.3° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C22 | C21 | N7 | 125.1° | 125.0° |
| C21 | C22 | H25 | 108.6° | 109.4° |
| C21 | C22 | H24 | 108.6° | 109.5° |
| C22 | C23 | C24 | 112.5° | 109.5° |
| C23 | C22 | H25 | 108.6° | 109.5° |
| C23 | C22 | H24 | 108.6° | 109.5° |
| C22 | C23 | H26 | 108.7° | 109.5° |
| C22 | C23 | H27 | 108.7° | 109.5° |
| C23 | C24 | C25 | 121.0° | 119.9° |
| C23 | C24 | C34 | 120.8° | 119.9° |
| C24 | C23 | H26 | 108.7° | 109.4° |
| C24 | C23 | H27 | 108.7° | 109.5° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C25 | C24 | C34 | 118.2° | 120.1° |
| C24 | C25 | H28 | 119.4° | 120.0° |
| C25 | C26 | C27 | 119.7° | 119.9° |
| C25 | C26 | H29 | 120.1° | 120.0° |
| C26 | C25 | H28 | 119.4° | 119.9° |
| C26 | C27 | O3 | 123.8° | 120.1° |
| C26 | C27 | C33 | 119.8° | 119.9° |
| C27 | C26 | H29 | 120.1° | 120.1° |
| C27 | O3 | C28 | 118.8° | 117.0° |
| O3 | C27 | C33 | 116.4° | 120.1° |
| O3 | C28 | C29 | 107.6° | 109.5° |
| O3 | C28 | H31 | 109.9° | 109.5° |
| O3 | C28 | H30 | 109.9° | 109.5° |
| C28 | C29 | C30 | 114.0° | 109.5° |
| C29 | C28 | H31 | 110.0° | 109.4° |
| C29 | C28 | H30 | 109.9° | 109.5° |
| C28 | C29 | H32 | 108.3° | 109.4° |
| C28 | C29 | H33 | 108.3° | 109.5° |
| C29 | C30 | N6 | 114.8° | 109.5° |
| C30 | C29 | H32 | 108.3° | 109.5° |
| C30 | C29 | H33 | 108.3° | 109.5° |
| C29 | C30 | H35 | 108.1° | 109.5° |
| C29 | C30 | H34 | 108.1° | 109.5° |
| C30 | N6 | C31 | 111.8° | 111.0° |
| C30 | N6 | C32 | 110.8° | 111.0° |
| N6 | C30 | H35 | 108.1° | 109.5° |
| N6 | C30 | H34 | 108.1° | 109.5° |
| C31 | N6 | C32 | 109.6° | 111.0° |
| N6 | C31 | H38 | 109.5° | 109.5° |
| N6 | C31 | H37 | 109.4° | 109.5° |
| N6 | C31 | H36 | 109.5° | 109.4° |
| N6 | C32 | H40 | 109.5° | 109.5° |
| N6 | C32 | H41 | 109.5° | 109.4° |
| N6 | C32 | H39 | 109.5° | 109.5° |
| C27 | C33 | C34 | 119.8° | 120.0° |
| C27 | C33 | H42 | 120.1° | 120.0° |
| C33 | C34 | C24 | 121.2° | 120.0° |
| C33 | C34 | H43 | 119.4° | 120.0° |
| C34 | C33 | H42 | 120.1° | 120.0° |
| C24 | C34 | H43 | 119.4° | 119.9° |
| C21 | N7 | C35 | 104.8° | 109.6° |
| N7 | C35 | C36 | 110.1° | 106.9° |
| N7 | C35 | C45 | 130.2° | 133.5° |
| C35 | C36 | N5 | 105.6° | 106.0° |
| C35 | C36 | C37 | 122.5° | 120.1° |
| C36 | C35 | C45 | 119.7° | 119.5° |
| N5 | C36 | C37 | 131.9° | 133.9° |
| C36 | C37 | C38 | 117.5° | 120.1° |
| C36 | C37 | H44 | 121.2° | 120.0° |
| C37 | C38 | C39 | 121.2° | 120.5° |
| C38 | C37 | H44 | 121.2° | 119.9° |
| C37 | C38 | H45 | 119.4° | 119.8° |
| C38 | C39 | C40 | 119.6° | 119.9° |
| C38 | C39 | C45 | 120.3° | 120.3° |
| C39 | C38 | H45 | 119.4° | 119.7° |
| C39 | C40 | C41 | 126.4° | 128.1° |
| C39 | C40 | C43 | 128.5° | 128.2° |
| C40 | C39 | C45 | 120.0° | 119.8° |
| C40 | C41 | C42 | 134.1° | 126.9° |
| C40 | C41 | O4 | 109.2° | 106.3° |
| C41 | C40 | C43 | 105.1° | 103.7° |
| C42 | C41 | O4 | 116.6° | 126.9° |
| C41 | C42 | H48 | 109.5° | 109.5° |
| C41 | C42 | H47 | 109.5° | 109.5° |
| C41 | C42 | H46 | 109.5° | 109.5° |
| C41 | O4 | N8 | 108.4° | 111.8° |
| O4 | N8 | C43 | 105.9° | 111.9° |
| N8 | C43 | C40 | 111.4° | 106.3° |
| N8 | C43 | C44 | 120.4° | 126.8° |
| C40 | C43 | C44 | 128.1° | 126.9° |
| C43 | C44 | H49 | 109.5° | 109.4° |
| C43 | C44 | H51 | 109.5° | 109.5° |
| C43 | C44 | H50 | 109.5° | 109.5° |
| C39 | C45 | C35 | 118.8° | 119.5° |
| C39 | C45 | H52 | 120.6° | 120.3° |
| C35 | C45 | H52 | 120.6° | 120.2° |
| N4 | C46 | C47 | 110.0° | 109.3° |
| N4 | C46 | H53 | 109.3° | 109.5° |
| N4 | C46 | H54 | 109.3° | 109.5° |
| C46 | C47 | N3 | 110.2° | 109.4° |
| C46 | C47 | H55 | 109.3° | 109.5° |
| C46 | C47 | H56 | 109.3° | 109.5° |
| C47 | C46 | H53 | 109.3° | 109.5° |
| C47 | C46 | H54 | 109.3° | 109.4° |
| N3 | C47 | H55 | 109.3° | 109.5° |
| N3 | C47 | H56 | 109.3° | 109.5° |
| H3 | C2 | H2 | 109.5° | 109.5° |
| H1 | C1 | H | 109.4° | 109.6° |
| H10 | C13 | H9 | 109.5° | 109.5° |
| H12 | C14 | H11 | 109.5° | 109.5° |
| H15 | C16 | H14 | 109.5° | 109.4° |
| H55 | C47 | H56 | 109.4° | 109.5° |
| H53 | C46 | H54 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H23 | C20 | H22 | 109.5° | 109.5° |
| H49 | C44 | H51 | 109.4° | 109.5° |
| H49 | C44 | H50 | 109.5° | 109.4° |
| H51 | C44 | H50 | 109.5° | 109.5° |
| H48 | C42 | H47 | 109.4° | 109.5° |
| H48 | C42 | H46 | 109.5° | 109.4° |
| H47 | C42 | H46 | 109.5° | 109.5° |
| H25 | C22 | H24 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H31 | C28 | H30 | 109.5° | 109.4° |
| H32 | C29 | H33 | 109.5° | 109.4° |
| H35 | C30 | H34 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.4° | 109.5° |
| H40 | C32 | H39 | 109.5° | 109.5° |
| H41 | C32 | H39 | 109.5° | 109.5° |
| H38 | C31 | H37 | 109.5° | 109.5° |
| H38 | C31 | H36 | 109.4° | 109.5° |
| H37 | C31 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | N | 179.9° | 179.9° |
| O | C | C1 | C2 | 154.0° | 151.3° |
| O | C | N | C3 | 178.9° | 179.5° |
| O | C | N | H4 | 1.2° | 0.3° |
| O | C | C1 | H1 | 85.4° | 89.2° |
| O | C | C1 | H | 33.5° | 30.9° |
| C | C1 | C2 | H1 | 120.6° | 119.7° |
| C | C1 | C2 | H | 120.5° | 120.2° |
| C1 | C | N | C3 | 1.0° | 0.5° |
| C | C1 | C2 | C4 | 53.0° | 55.1° |
| C1 | C | N | H4 | 178.9° | 179.8° |
| C | C1 | C2 | H3 | 172.8° | 64.6° |
| C | C1 | C2 | H2 | 66.9° | 175.2° |
| C | C1 | H1 | H | 118.4° | 120.1° |
| C2 | C1 | C | N | 26.1° | 28.7° |
| C1 | C2 | C4 | C3 | 54.6° | 55.3° |
| C1 | C2 | C4 | H3 | 119.8° | 119.4° |
| C1 | C2 | C4 | H2 | 119.9° | 120.3° |
| C1 | C2 | C4 | N1 | 177.9° | 175.2° |
| C1 | C2 | C4 | H5 | 60.6° | 64.6° |
| C1 | C2 | H3 | H2 | 120.3° | 120.4° |
| C2 | C1 | H1 | H | 118.4° | 120.2° |
| C | N | C3 | H4 | 180.0° | 179.8° |
| C | N | C3 | C4 | 1.1° | 0.8° |
| C | N | C3 | O7 | 179.8° | 179.2° |
| N | C | C1 | H1 | 94.5° | 90.8° |
| N | C | C1 | H | 146.6° | 149.0° |
| N | C3 | C4 | O7 | 179.1° | 179.9° |
| N | C3 | C4 | C2 | 30.0° | 29.0° |
| N | C3 | C4 | N1 | 159.3° | 149.1° |
| N | C3 | C4 | H5 | 85.0° | 90.9° |
| C3 | C4 | C2 | N1 | 127.6° | 120.0° |
| C3 | C4 | C2 | H5 | 115.1° | 119.9° |
| C3 | C4 | N1 | H5 | 115.2° | 120.1° |
| C3 | C4 | N1 | C5 | 116.1° | 60.1° |
| C3 | C4 | N1 | C6 | 61.5° | 120.3° |
| C4 | C3 | N | H4 | 178.9° | 179.5° |
| C3 | C4 | C2 | H3 | 174.4° | 64.2° |
| C3 | C4 | C2 | H2 | 65.3° | 175.6° |
| C2 | C4 | N1 | H5 | 116.9° | 120.2° |
| C2 | C4 | N1 | C5 | 116.1° | 59.7° |
| C2 | C4 | N1 | C6 | 66.3° | 120.0° |
| C2 | C4 | C3 | O7 | 150.9° | 150.9° |
| C4 | C2 | H3 | H2 | 120.4° | 120.3° |
| C4 | C2 | C1 | H1 | 67.6° | 64.6° |
| C4 | C2 | C1 | H | 173.5° | 175.3° |
| C4 | N1 | C5 | C6 | 177.9° | 179.7° |
| C4 | N1 | C5 | O1 | 2.2° | 0.0° |
| C4 | N1 | C6 | C7 | 177.6° | 179.9° |
| C4 | N1 | C5 | C8 | 177.9° | 179.9° |
| C4 | N1 | C6 | O6 | 2.4° | 0.1° |
| N1 | C4 | C3 | O7 | 21.6° | 30.9° |
| N1 | C4 | C2 | H3 | 58.1° | 55.8° |
| N1 | C4 | C2 | H2 | 62.3° | 64.5° |
| N1 | C5 | O1 | C8 | 179.8° | 179.9° |
| C5 | N1 | C6 | C7 | 0.2° | 0.2° |
| N1 | C5 | C8 | C7 | 0.1° | 0.3° |
| N1 | C5 | C8 | C9 | 179.0° | 179.8° |
| C5 | N1 | C6 | O6 | 179.8° | 179.7° |
| C5 | N1 | C4 | H5 | 0.8° | 179.8° |
| O1 | C5 | N1 | C6 | 179.8° | 179.7° |
| O1 | C5 | C8 | C7 | 180.0° | 179.8° |
| O1 | C5 | C8 | C9 | 0.9° | 0.1° |
| N1 | C6 | C7 | O6 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | N1 | C5 | C8 | 0.0° | 0.4° |
| N1 | C6 | C7 | C12 | 179.4° | 180.0° |
| C6 | N1 | C4 | H5 | 176.8° | 0.2° |
| C6 | C7 | C8 | C12 | 179.3° | 180.0° |
| C6 | C7 | C8 | C5 | 0.3° | 0.2° |
| C6 | C7 | C8 | C9 | 179.0° | 179.9° |
| C6 | C7 | C12 | C11 | 179.4° | 180.0° |
| C6 | C7 | C12 | O2 | 0.8° | 0.0° |
| C7 | C8 | C5 | C9 | 179.1° | 179.8° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | C7 | C12 | C11 | 0.3° | 0.0° |
| C8 | C7 | C12 | O2 | 178.2° | 180.0° |
| C8 | C7 | C6 | O6 | 179.7° | 180.0° |
| C7 | C8 | C9 | H6 | 179.7° | 180.0° |
| C5 | C8 | C9 | C10 | 179.4° | 179.8° |
| C5 | C8 | C7 | C12 | 179.5° | 179.8° |
| C5 | C8 | C9 | H6 | 0.6° | 0.2° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.1° |
| C9 | C8 | C7 | C12 | 0.3° | 0.0° |
| C8 | C9 | C10 | H7 | 179.7° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C9 | C10 | C11 | H8 | 179.0° | 180.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C7 | 1.0° | 0.0° |
| C10 | C11 | C12 | O2 | 177.5° | 180.0° |
| C11 | C10 | C9 | H6 | 179.6° | 180.0° |
| C11 | C12 | C7 | O2 | 178.5° | 180.0° |
| C11 | C12 | O2 | C13 | 7.2° | 0.0° |
| C12 | C11 | C10 | H7 | 179.0° | 180.0° |
| C7 | C12 | O2 | C13 | 174.3° | 180.0° |
| C12 | C7 | C6 | O6 | 0.6° | 0.1° |
| C7 | C12 | C11 | H8 | 179.0° | 180.0° |
| C12 | O2 | C13 | C14 | 176.2° | 180.0° |
| O2 | C12 | C11 | H8 | 2.5° | 0.0° |
| C12 | O2 | C13 | H10 | 56.5° | 60.0° |
| C12 | O2 | C13 | H9 | 64.0° | 60.0° |
| O2 | C13 | C14 | H10 | 119.8° | 120.0° |
| O2 | C13 | C14 | H9 | 119.8° | 120.0° |
| O2 | C13 | C14 | N2 | 70.3° | 65.0° |
| O2 | C13 | H10 | H9 | 120.8° | 120.0° |
| O2 | C13 | C14 | H12 | 169.3° | 175.0° |
| O2 | C13 | C14 | H11 | 50.1° | 55.0° |
| C13 | C14 | N2 | H12 | 120.3° | 119.9° |
| C13 | C14 | N2 | H11 | 120.4° | 120.0° |
| C13 | C14 | N2 | C15 | 136.5° | 180.0° |
| C14 | C13 | H10 | H9 | 120.7° | 120.1° |
| C13 | C14 | H12 | H11 | 118.9° | 120.0° |
| C13 | C14 | N2 | H13 | 43.5° | 0.0° |
| C14 | N2 | C15 | H13 | 180.0° | 180.0° |
| C14 | N2 | C15 | C16 | 167.4° | 180.0° |
| C14 | N2 | C15 | O5 | 11.2° | 0.0° |
| N2 | C14 | C13 | H10 | 49.5° | 54.9° |
| N2 | C14 | C13 | H9 | 169.9° | 175.0° |
| N2 | C14 | H12 | H11 | 118.9° | 120.1° |
| N2 | C15 | C16 | O5 | 178.6° | 180.0° |
| N2 | C15 | C16 | N3 | 36.0° | 180.0° |
| C15 | N2 | C14 | H12 | 103.2° | 60.1° |
| C15 | N2 | C14 | H11 | 16.1° | 60.0° |
| N2 | C15 | C16 | H15 | 84.2° | 60.0° |
| N2 | C15 | C16 | H14 | 156.2° | 59.9° |
| C15 | C16 | N3 | H15 | 120.2° | 120.0° |
| C15 | C16 | N3 | H14 | 120.2° | 120.0° |
| C15 | C16 | N3 | C17 | 167.9° | 170.0° |
| C15 | C16 | N3 | C47 | 69.5° | 66.2° |
| C16 | C15 | N2 | H13 | 12.6° | 0.0° |
| C15 | C16 | H15 | H14 | 119.3° | 119.9° |
| C16 | N3 | C17 | C47 | 123.3° | 123.8° |
| C16 | N3 | C17 | C18 | 179.4° | 176.8° |
| C16 | N3 | C47 | C46 | 177.7° | 176.8° |
| N3 | C16 | C15 | O5 | 142.6° | 0.0° |
| N3 | C16 | H15 | H14 | 119.3° | 120.0° |
| C16 | N3 | C47 | H55 | 57.6° | 63.2° |
| C16 | N3 | C47 | H56 | 62.2° | 56.8° |
| C16 | N3 | C17 | H16 | 59.3° | 56.8° |
| C16 | N3 | C17 | H17 | 60.5° | 63.2° |
| N3 | C17 | C18 | H16 | 120.1° | 120.0° |
| N3 | C17 | C18 | H17 | 120.1° | 120.0° |
| N3 | C17 | C18 | N4 | 58.0° | 58.4° |
| C17 | N3 | C47 | C46 | 58.6° | 59.3° |
| C17 | N3 | C16 | H15 | 47.7° | 50.0° |
| C17 | N3 | C16 | H14 | 71.9° | 70.0° |
| C17 | N3 | C47 | H55 | 178.7° | 60.6° |
| C17 | N3 | C47 | H56 | 61.5° | 179.3° |
| N3 | C17 | C18 | H18 | 62.1° | 178.4° |
| N3 | C17 | C18 | H19 | 178.2° | 61.5° |
| N3 | C17 | H16 | H17 | 119.7° | 120.1° |
| C17 | C18 | N4 | H18 | 120.2° | 120.0° |
| C17 | C18 | N4 | H19 | 120.1° | 120.0° |
| C17 | C18 | N4 | C19 | 178.4° | 176.8° |
| C17 | C18 | N4 | C46 | 58.9° | 59.3° |
| C18 | C17 | N3 | C47 | 57.3° | 59.4° |
| C17 | C18 | H18 | H19 | 119.5° | 120.1° |
| C18 | C17 | H16 | H17 | 119.7° | 120.0° |
| C18 | N4 | C19 | C46 | 121.7° | 123.9° |
| C18 | N4 | C19 | C20 | 90.7° | 66.1° |
| C18 | N4 | C46 | C47 | 59.9° | 59.3° |
| C18 | N4 | C46 | H53 | 60.1° | 179.3° |
| C18 | N4 | C46 | H54 | 180.0° | 60.6° |
| N4 | C18 | H18 | H19 | 119.6° | 120.0° |
| N4 | C18 | C17 | H16 | 178.1° | 178.4° |
| N4 | C18 | C17 | H17 | 62.1° | 61.7° |
| C18 | N4 | C19 | H20 | 149.1° | 173.8° |
| C18 | N4 | C19 | H21 | 29.5° | 53.8° |
| N4 | C19 | C20 | H20 | 120.2° | 120.0° |
| N4 | C19 | C20 | H21 | 120.2° | 119.9° |
| N4 | C19 | C20 | N5 | 179.2° | 179.9° |
| C19 | N4 | C46 | C47 | 177.1° | 176.8° |
| C19 | N4 | C46 | H53 | 62.8° | 56.8° |
| C19 | N4 | C46 | H54 | 57.0° | 63.3° |
| C19 | N4 | C18 | H18 | 61.4° | 56.8° |
| C19 | N4 | C18 | H19 | 58.3° | 63.2° |
| N4 | C19 | H20 | H21 | 119.4° | 120.0° |
| N4 | C19 | C20 | H23 | 60.5° | 60.0° |
| N4 | C19 | C20 | H22 | 58.8° | 60.1° |
| C19 | C20 | N5 | H23 | 120.3° | 120.0° |
| C19 | C20 | N5 | H22 | 120.4° | 120.0° |
| C19 | C20 | N5 | C21 | 89.2° | 90.0° |
| C19 | C20 | N5 | C36 | 94.3° | 89.6° |
| C20 | C19 | N4 | C46 | 147.6° | 170.0° |
| C20 | C19 | H20 | H21 | 119.3° | 120.0° |
| C19 | C20 | H23 | H22 | 119.0° | 120.0° |
| C20 | N5 | C21 | C36 | 177.1° | 179.7° |
| C20 | N5 | C21 | C22 | 1.9° | 0.1° |
| C20 | N5 | C21 | N7 | 176.7° | 179.8° |
| C20 | N5 | C36 | C35 | 176.2° | 180.0° |
| C20 | N5 | C36 | C37 | 0.8° | 0.1° |
| N5 | C20 | C19 | H20 | 59.0° | 60.0° |
| N5 | C20 | C19 | H21 | 60.6° | 60.0° |
| N5 | C20 | H23 | H22 | 119.0° | 120.0° |
| N5 | C21 | C22 | N7 | 178.4° | 179.7° |
| N5 | C21 | C22 | C23 | 170.6° | 90.0° |
| N5 | C21 | N7 | C35 | 0.4° | 0.5° |
| C21 | N5 | C36 | C35 | 1.0° | 0.3° |
| C21 | N5 | C36 | C37 | 178.0° | 179.7° |
| C21 | N5 | C20 | H23 | 150.5° | 30.0° |
| C21 | N5 | C20 | H22 | 31.2° | 150.0° |
| N5 | C21 | C22 | H25 | 68.9° | 150.1° |
| N5 | C21 | C22 | H24 | 50.1° | 30.1° |
| C21 | C22 | C23 | H25 | 120.5° | 119.9° |
| C21 | C22 | C23 | H24 | 120.5° | 120.1° |
| C21 | C22 | C23 | C24 | 179.0° | 180.0° |
| C22 | C21 | N7 | C35 | 178.2° | 179.8° |
| C22 | C21 | N5 | C36 | 179.0° | 179.8° |
| C21 | C22 | H25 | H24 | 118.4° | 120.0° |
| C21 | C22 | C23 | H26 | 60.6° | 60.0° |
| C21 | C22 | C23 | H27 | 58.5° | 59.9° |
| C22 | C23 | C24 | H26 | 120.5° | 120.0° |
| C22 | C23 | C24 | H27 | 120.5° | 120.1° |
| C22 | C23 | C24 | C25 | 80.7° | 89.9° |
| C22 | C23 | C24 | C34 | 100.6° | 89.7° |
| C23 | C22 | C21 | N7 | 11.0° | 89.7° |
| C23 | C22 | H25 | H24 | 118.4° | 120.0° |
| C22 | C23 | H26 | H27 | 118.6° | 120.0° |
| C23 | C24 | C25 | C34 | 178.8° | 179.7° |
| C23 | C24 | C25 | C26 | 178.2° | 179.8° |
| C23 | C24 | C34 | C33 | 178.0° | 180.0° |
| C24 | C23 | C22 | H25 | 58.5° | 60.1° |
| C24 | C23 | C22 | H24 | 60.5° | 59.9° |
| C24 | C23 | H26 | H27 | 118.6° | 120.0° |
| C23 | C24 | C34 | H43 | 2.0° | 0.1° |
| C23 | C24 | C25 | H28 | 1.8° | 0.1° |
| C24 | C25 | C26 | H28 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.0° | 0.5° |
| C25 | C24 | C34 | C33 | 0.8° | 0.4° |
| C25 | C24 | C23 | H26 | 158.8° | 30.1° |
| C25 | C24 | C23 | H27 | 39.8° | 150.0° |
| C25 | C24 | C34 | H43 | 179.2° | 179.7° |
| C24 | C25 | C26 | H29 | 180.0° | 179.7° |
| C25 | C26 | C27 | H29 | 180.0° | 179.8° |
| C25 | C26 | C27 | O3 | 179.5° | 179.8° |
| C25 | C26 | C27 | C33 | 0.4° | 0.2° |
| C26 | C25 | C24 | C34 | 0.6° | 0.6° |
| C26 | C27 | O3 | C33 | 179.8° | 180.0° |
| C26 | C27 | O3 | C28 | 11.2° | 0.0° |
| C26 | C27 | C33 | C34 | 0.1° | 0.0° |
| C26 | C27 | C33 | H42 | 179.9° | 180.0° |
| C27 | C26 | C25 | H28 | 180.0° | 179.8° |
| C27 | O3 | C28 | C29 | 163.3° | 180.0° |
| O3 | C27 | C33 | C34 | 179.7° | 180.0° |
| O3 | C27 | C33 | H42 | 0.3° | 0.1° |
| O3 | C27 | C26 | H29 | 0.5° | 0.0° |
| C27 | O3 | C28 | H31 | 43.5° | 60.0° |
| C27 | O3 | C28 | H30 | 77.0° | 59.9° |
| O3 | C28 | C29 | H31 | 119.7° | 120.0° |
| O3 | C28 | C29 | H30 | 119.7° | 120.1° |
| O3 | C28 | C29 | C30 | 174.0° | 180.0° |
| C28 | O3 | C27 | C33 | 168.6° | 180.0° |
| O3 | C28 | H31 | H30 | 120.8° | 120.0° |
| O3 | C28 | C29 | H32 | 53.3° | 60.0° |
| O3 | C28 | C29 | H33 | 65.4° | 59.9° |
| C28 | C29 | C30 | H32 | 120.7° | 120.0° |
| C28 | C29 | C30 | H33 | 120.7° | 120.1° |
| C28 | C29 | C30 | N6 | 79.9° | 180.0° |
| C29 | C28 | H31 | H30 | 120.9° | 120.0° |
| C28 | C29 | H32 | H33 | 117.9° | 120.0° |
| C28 | C29 | C30 | H35 | 40.8° | 60.0° |
| C28 | C29 | C30 | H34 | 159.2° | 60.0° |
| C29 | C30 | N6 | H35 | 120.8° | 120.1° |
| C29 | C30 | N6 | H34 | 120.8° | 120.0° |
| C29 | C30 | N6 | C31 | 41.0° | 170.0° |
| C29 | C30 | N6 | C32 | 163.7° | 66.1° |
| C30 | C29 | C28 | H31 | 66.3° | 59.9° |
| C30 | C29 | C28 | H30 | 54.3° | 60.0° |
| C30 | C29 | H32 | H33 | 117.9° | 120.0° |
| C29 | C30 | H35 | H34 | 117.6° | 120.0° |
| C30 | N6 | C31 | C32 | 123.3° | 123.9° |
| N6 | C30 | C29 | H32 | 159.4° | 60.0° |
| N6 | C30 | C29 | H33 | 40.7° | 60.0° |
| N6 | C30 | H35 | H34 | 117.6° | 120.0° |
| C30 | N6 | C32 | H40 | 180.0° | 60.0° |
| C30 | N6 | C32 | H41 | 60.0° | 180.0° |
| C30 | N6 | C32 | H39 | 60.0° | 60.1° |
| C30 | N6 | C31 | H38 | 180.0° | 60.0° |
| C30 | N6 | C31 | H37 | 60.0° | 180.0° |
| C30 | N6 | C31 | H36 | 60.0° | 60.0° |
| C31 | N6 | C30 | H35 | 161.8° | 70.0° |
| C31 | N6 | C30 | H34 | 79.8° | 50.0° |
| C31 | N6 | C32 | H40 | 56.1° | 63.9° |
| C31 | N6 | C32 | H41 | 176.1° | 56.1° |
| C31 | N6 | C32 | H39 | 63.9° | 176.0° |
| N6 | C31 | H38 | H37 | 120.0° | 120.0° |
| N6 | C31 | H38 | H36 | 120.0° | 120.0° |
| N6 | C31 | H37 | H36 | 120.0° | 120.0° |
| C32 | N6 | C30 | H35 | 75.6° | 54.0° |
| C32 | N6 | C30 | H34 | 42.9° | 173.9° |
| N6 | C32 | H40 | H41 | 120.0° | 120.0° |
| N6 | C32 | H40 | H39 | 120.0° | 120.0° |
| N6 | C32 | H41 | H39 | 120.0° | 120.0° |
| C32 | N6 | C31 | H38 | 56.7° | 176.1° |
| C32 | N6 | C31 | H37 | 63.3° | 56.1° |
| C32 | N6 | C31 | H36 | 176.7° | 63.9° |
| C27 | C33 | C34 | H42 | 180.0° | 179.9° |
| C27 | C33 | C34 | C24 | 0.5° | 0.0° |
| C27 | C33 | C34 | H43 | 179.5° | 180.0° |
| C33 | C27 | C26 | H29 | 179.6° | 180.0° |
| C33 | C34 | C24 | H43 | 180.0° | 179.9° |
| C34 | C24 | C23 | H26 | 19.9° | 150.2° |
| C34 | C24 | C23 | H27 | 139.0° | 30.4° |
| C24 | C34 | C33 | H42 | 179.5° | 179.9° |
| C34 | C24 | C25 | H28 | 179.4° | 179.7° |
| C21 | N7 | C35 | C36 | 1.0° | 0.3° |
| N7 | C21 | N5 | C36 | 0.4° | 0.5° |
| C21 | N7 | C35 | C45 | 175.4° | 179.7° |
| N7 | C21 | C22 | H25 | 109.5° | 30.2° |
| N7 | C21 | C22 | H24 | 131.5° | 150.2° |
| N7 | C35 | C36 | C45 | 176.8° | 180.0° |
| N7 | C35 | C36 | N5 | 1.3° | 0.1° |
| N7 | C35 | C36 | C37 | 178.6° | 180.0° |
| N7 | C35 | C45 | C39 | 175.7° | 180.0° |
| N7 | C35 | C45 | H52 | 4.3° | 0.0° |
| C35 | C36 | N5 | C37 | 177.0° | 179.9° |
| C35 | C36 | C37 | C38 | 2.1° | 0.0° |
| C36 | C35 | C45 | C39 | 0.4° | 0.1° |
| C35 | C36 | C37 | H44 | 177.8° | 180.0° |
| C36 | C35 | C45 | H52 | 179.6° | 180.0° |
| N5 | C36 | C37 | C38 | 174.5° | 179.9° |
| N5 | C36 | C35 | C45 | 175.6° | 180.0° |
| C36 | N5 | C20 | H23 | 26.0° | 150.4° |
| C36 | N5 | C20 | H22 | 145.4° | 30.4° |
| N5 | C36 | C37 | H44 | 5.6° | 0.0° |
| C36 | C37 | C38 | H44 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C37 | C36 | C35 | C45 | 1.8° | 0.0° |
| C36 | C37 | C38 | H45 | 179.7° | 180.0° |
| C37 | C38 | C39 | H45 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 175.4° | 180.0° |
| C37 | C38 | C39 | C45 | 1.9° | 0.0° |
| C38 | C39 | C40 | C45 | 177.2° | 180.0° |
| C38 | C39 | C40 | C41 | 131.8° | 65.0° |
| C38 | C39 | C40 | C43 | 48.4° | 114.6° |
| C38 | C39 | C45 | C35 | 2.2° | 0.1° |
| C39 | C38 | C37 | H44 | 179.7° | 180.0° |
| C38 | C39 | C45 | H52 | 177.8° | 180.0° |
| C39 | C40 | C41 | C43 | 179.8° | 179.7° |
| C39 | C40 | C41 | C42 | 0.4° | 0.1° |
| C39 | C40 | C41 | O4 | 179.5° | 179.9° |
| C39 | C40 | C43 | N8 | 179.4° | 180.0° |
| C39 | C40 | C43 | C44 | 0.6° | 0.1° |
| C40 | C39 | C45 | C35 | 175.0° | 179.9° |
| C40 | C39 | C38 | H45 | 4.7° | 0.0° |
| C40 | C39 | C45 | H52 | 5.0° | 0.0° |
| C40 | C41 | C42 | O4 | 179.0° | 179.8° |
| C40 | C41 | O4 | N8 | 0.1° | 0.5° |
| C41 | C40 | C43 | N8 | 0.4° | 0.3° |
| C41 | C40 | C43 | C44 | 179.6° | 179.7° |
| C41 | C40 | C39 | C45 | 45.4° | 115.0° |
| C40 | C41 | C42 | H48 | 179.0° | 90.0° |
| C40 | C41 | C42 | H47 | 61.0° | 150.0° |
| C40 | C41 | C42 | H46 | 59.0° | 30.0° |
| C42 | C41 | O4 | N8 | 179.4° | 179.7° |
| C42 | C41 | C40 | C43 | 179.3° | 179.7° |
| C41 | C42 | H48 | H47 | 120.0° | 120.0° |
| C41 | C42 | H48 | H46 | 120.0° | 120.0° |
| C41 | C42 | H47 | H46 | 120.0° | 120.0° |
| C41 | O4 | N8 | C43 | 0.1° | 0.2° |
| O4 | C41 | C40 | C43 | 0.3° | 0.5° |
| O4 | C41 | C42 | H48 | 0.0° | 89.8° |
| O4 | C41 | C42 | H47 | 120.0° | 30.2° |
| O4 | C41 | C42 | H46 | 120.0° | 150.2° |
| O4 | N8 | C43 | C40 | 0.3° | 0.1° |
| O4 | N8 | C43 | C44 | 179.7° | 180.0° |
| N8 | C43 | C40 | C44 | 180.0° | 179.9° |
| N8 | C43 | C44 | H49 | 0.0° | 90.0° |
| N8 | C43 | C44 | H51 | 120.0° | 30.0° |
| N8 | C43 | C44 | H50 | 120.0° | 150.0° |
| C43 | C40 | C39 | C45 | 134.3° | 65.4° |
| C40 | C43 | C44 | H49 | 180.0° | 90.0° |
| C40 | C43 | C44 | H51 | 60.0° | 150.0° |
| C40 | C43 | C44 | H50 | 60.0° | 29.9° |
| C43 | C44 | H49 | H51 | 120.0° | 120.0° |
| C43 | C44 | H49 | H50 | 120.0° | 120.0° |
| C43 | C44 | H51 | H50 | 120.0° | 120.1° |
| C39 | C45 | C35 | H52 | 180.0° | 180.0° |
| C45 | C39 | C38 | H45 | 178.1° | 180.0° |
| N4 | C46 | C47 | H53 | 120.1° | 120.0° |
| N4 | C46 | C47 | H54 | 120.1° | 119.9° |
| N4 | C46 | C47 | N3 | 60.2° | 58.4° |
| N4 | C46 | C47 | H55 | 179.6° | 61.6° |
| N4 | C46 | C47 | H56 | 59.9° | 178.4° |
| N4 | C46 | H53 | H54 | 119.7° | 120.1° |
| C46 | N4 | C18 | H18 | 61.3° | 179.3° |
| C46 | N4 | C18 | H19 | 179.0° | 60.7° |
| C46 | N4 | C19 | H20 | 27.4° | 49.9° |
| C46 | N4 | C19 | H21 | 92.2° | 70.1° |
| C46 | C47 | N3 | H55 | 120.1° | 120.0° |
| C46 | C47 | N3 | H56 | 120.1° | 120.0° |
| C46 | C47 | H55 | H56 | 119.7° | 120.0° |
| C47 | C46 | H53 | H54 | 119.8° | 120.0° |
| C47 | N3 | C16 | H15 | 170.3° | 173.8° |
| C47 | N3 | C16 | H14 | 50.8° | 53.8° |
| N3 | C47 | H55 | H56 | 119.7° | 120.1° |
| N3 | C47 | C46 | H53 | 59.8° | 178.4° |
| N3 | C47 | C46 | H54 | 179.7° | 61.6° |
| C47 | N3 | C17 | H16 | 177.4° | 179.3° |
| C47 | N3 | C17 | H17 | 62.8° | 60.7° |
| O5 | C15 | N2 | H13 | 168.9° | 180.0° |
| O5 | C15 | C16 | H15 | 97.2° | 120.1° |
| O5 | C15 | C16 | H14 | 22.3° | 120.0° |
| O7 | C3 | N | H4 | 0.2° | 0.6° |
| O7 | C3 | C4 | H5 | 94.1° | 89.2° |
| H5 | C4 | C2 | H3 | 59.3° | 175.9° |
| H5 | C4 | C2 | H2 | 179.6° | 55.7° |
| H3 | C2 | C1 | H1 | 52.3° | 175.7° |
| H3 | C2 | C1 | H | 66.6° | 55.6° |
| H2 | C2 | C1 | H1 | 172.5° | 55.5° |
| H2 | C2 | C1 | H | 53.6° | 64.6° |
| H8 | C11 | C10 | H7 | 1.0° | 0.0° |
| H7 | C10 | C9 | H6 | 0.3° | 0.0° |
| H10 | C13 | C14 | H12 | 70.9° | 65.0° |
| H10 | C13 | C14 | H11 | 169.8° | 175.0° |
| H9 | C13 | C14 | H12 | 49.6° | 55.0° |
| H9 | C13 | C14 | H11 | 69.7° | 64.9° |
| H12 | C14 | N2 | H13 | 76.8° | 119.9° |
| H11 | C14 | N2 | H13 | 163.9° | 120.0° |
| H55 | C47 | C46 | H53 | 60.3° | 58.4° |
| H55 | C47 | C46 | H54 | 59.6° | 178.4° |
| H56 | C47 | C46 | H53 | 179.9° | 61.6° |
| H56 | C47 | C46 | H54 | 60.2° | 58.4° |
| H18 | C18 | C17 | H16 | 58.0° | 61.6° |
| H18 | C18 | C17 | H17 | 177.8° | 58.3° |
| H19 | C18 | C17 | H16 | 61.7° | 58.5° |
| H19 | C18 | C17 | H17 | 58.0° | 178.4° |
| H20 | C19 | C20 | H23 | 179.3° | 180.0° |
| H20 | C19 | C20 | H22 | 61.4° | 60.0° |
| H21 | C19 | C20 | H23 | 59.7° | 59.9° |
| H21 | C19 | C20 | H22 | 179.1° | 180.0° |
| H44 | C37 | C38 | H45 | 0.3° | 0.0° |
| H49 | C44 | H51 | H50 | 120.0° | 120.0° |
| H48 | C42 | H47 | H46 | 120.0° | 120.0° |
| H25 | C22 | C23 | H26 | 178.9° | 179.9° |
| H25 | C22 | C23 | H27 | 62.0° | 60.0° |
| H24 | C22 | C23 | H26 | 59.9° | 60.1° |
| H24 | C22 | C23 | H27 | 179.0° | 180.0° |
| H43 | C34 | C33 | H42 | 0.5° | 0.0° |
| H29 | C26 | C25 | H28 | 0.0° | 0.0° |
| H31 | C28 | C29 | H32 | 173.0° | 180.0° |
| H31 | C28 | C29 | H33 | 54.3° | 60.1° |
| H30 | C28 | C29 | H32 | 66.4° | 60.1° |
| H30 | C28 | C29 | H33 | 175.0° | 180.0° |
| H32 | C29 | C30 | H35 | 79.8° | 180.0° |
| H32 | C29 | C30 | H34 | 38.6° | 60.0° |
| H33 | C29 | C30 | H35 | 161.5° | 60.1° |
| H33 | C29 | C30 | H34 | 80.1° | 179.9° |
| H40 | C32 | H41 | H39 | 120.0° | 120.0° |
| H38 | C31 | H37 | H36 | 120.0° | 120.0° |
