A1AOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | N2 | sing | 1.37Å | 1.41Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N2 | C5 | sing | 1.35Å | 1.37Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | N4 | sing | 1.46Å | 1.47Å | |
| N4 | C9 | sing | 1.35Å | 1.35Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| N4 | C11 | sing | 1.47Å | 1.46Å | |
| C8 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.49Å | 1.49Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C28 | sing | 1.46Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| N5 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.48Å | 1.47Å | |
| C31 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| N6 | C35 | doub | 1.32Å | 1.34Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C36 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C37 | sing | 1.43Å | 1.43Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C30 | C39 | doub | 1.36Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | O5 | sing | 1.45Å | 1.46Å | |
| O5 | C45 | sing | 1.35Å | 1.33Å | |
| C45 | O6 | doub | 1.21Å | 1.21Å | |
| C1 | C4 | sing | 1.52Å | 1.52Å | |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C35 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | C45 | sing | 1.51Å | 1.51Å | |
| C24 | C39 | sing | 1.46Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 112.5° | 109.7° |
| C2 | C1 | C4 | 111.7° | 111.5° |
| C1 | C2 | C45 | 109.6° | 110.2° |
| C2 | C1 | H1 | 108.9° | 109.1° |
| C2 | C1 | H2 | 108.9° | 109.0° |
| C1 | C2 | H3 | 109.0° | 109.9° |
| C2 | N1 | N2 | 111.2° | 110.3° |
| N1 | C2 | C45 | 106.4° | 108.8° |
| N1 | C2 | H3 | 109.9° | 109.1° |
| C2 | N1 | H4 | 109.0° | 111.0° |
| N1 | N2 | C3 | 118.2° | 119.3° |
| N1 | N2 | C5 | 118.6° | 119.8° |
| N2 | N1 | H4 | 109.1° | 111.0° |
| N2 | C3 | C4 | 110.9° | 108.8° |
| C3 | N2 | C5 | 123.2° | 121.0° |
| N2 | C3 | H5 | 109.1° | 109.6° |
| N2 | C3 | H6 | 109.1° | 109.7° |
| C3 | C4 | C1 | 110.1° | 111.5° |
| C4 | C3 | H5 | 109.1° | 109.6° |
| C4 | C3 | H6 | 109.1° | 109.6° |
| C3 | C4 | H7 | 109.3° | 109.1° |
| C3 | C4 | H8 | 109.3° | 109.1° |
| N2 | C5 | O1 | 120.2° | 120.2° |
| N2 | C5 | C6 | 117.1° | 119.5° |
| O1 | C5 | C6 | 122.7° | 120.3° |
| C5 | C6 | N3 | 111.4° | 109.3° |
| C5 | C6 | C15 | 111.0° | 109.9° |
| C5 | C6 | H9 | 107.9° | 109.4° |
| C6 | N3 | C7 | 121.8° | 120.1° |
| N3 | C6 | C15 | 109.9° | 109.4° |
| N3 | C6 | H9 | 108.7° | 109.4° |
| C6 | N3 | H10 | 119.1° | 120.0° |
| N3 | C7 | C8 | 116.4° | 120.0° |
| N3 | C7 | O3 | 123.4° | 119.9° |
| C7 | N3 | H10 | 119.1° | 120.0° |
| C7 | C8 | N4 | 106.7° | 109.4° |
| C7 | C8 | C12 | 112.0° | 109.5° |
| C8 | C7 | O3 | 120.2° | 120.0° |
| C7 | C8 | H11 | 107.0° | 109.5° |
| C8 | N4 | C9 | 118.9° | 120.0° |
| C8 | N4 | C11 | 119.8° | 120.0° |
| N4 | C8 | C12 | 116.2° | 109.5° |
| N4 | C8 | H11 | 107.7° | 109.5° |
| N4 | C9 | O2 | 120.5° | 120.0° |
| N4 | C9 | C10 | 118.7° | 120.0° |
| C9 | N4 | C11 | 120.9° | 120.0° |
| O2 | C9 | C10 | 120.8° | 120.0° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.4° |
| N4 | C11 | H16 | 109.5° | 109.5° |
| N4 | C11 | H15 | 109.5° | 109.5° |
| N4 | C11 | H17 | 109.5° | 109.4° |
| C8 | C12 | C13 | 110.0° | 109.4° |
| C8 | C12 | C14 | 112.4° | 109.5° |
| C8 | C12 | H18 | 108.0° | 109.5° |
| C12 | C8 | H11 | 106.8° | 109.5° |
| C13 | C12 | C14 | 109.8° | 109.5° |
| C13 | C12 | H18 | 108.3° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.4° |
| C12 | C13 | H19 | 109.4° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C14 | C12 | H18 | 108.3° | 109.5° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.4° | 109.5° |
| C12 | C14 | H22 | 109.4° | 109.4° |
| C6 | C15 | C16 | 112.2° | 109.4° |
| C6 | C15 | H25 | 108.8° | 109.5° |
| C6 | C15 | H26 | 108.8° | 109.5° |
| C15 | C6 | H9 | 107.7° | 109.3° |
| C15 | C16 | C17 | 120.2° | 119.8° |
| C15 | C16 | C21 | 121.4° | 120.0° |
| C16 | C15 | H25 | 108.8° | 109.5° |
| C16 | C15 | H26 | 108.8° | 109.4° |
| C16 | C17 | C18 | 122.5° | 119.9° |
| C17 | C16 | C21 | 118.3° | 120.2° |
| C16 | C17 | H27 | 118.7° | 120.1° |
| C17 | C18 | C19 | 117.5° | 119.8° |
| C17 | C18 | C22 | 121.1° | 119.8° |
| C18 | C17 | H27 | 118.7° | 120.0° |
| C18 | C19 | C20 | 121.0° | 119.8° |
| C19 | C18 | C22 | 121.3° | 120.4° |
| C18 | C19 | H28 | 119.5° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C20 | C19 | H28 | 119.5° | 120.1° |
| C19 | C20 | H29 | 119.9° | 119.9° |
| C20 | C21 | C16 | 120.4° | 120.2° |
| C21 | C20 | H29 | 119.9° | 120.0° |
| C20 | C21 | H30 | 119.8° | 119.9° |
| C18 | C22 | C23 | 121.6° | 119.9° |
| C18 | C22 | C27 | 119.2° | 120.0° |
| C22 | C23 | C24 | 120.0° | 119.4° |
| C23 | C22 | C27 | 119.1° | 120.2° |
| C22 | C23 | H31 | 120.0° | 120.3° |
| C23 | C24 | C25 | 119.0° | 120.0° |
| C23 | C24 | C39 | 133.7° | 133.8° |
| C24 | C23 | H31 | 120.0° | 120.3° |
| C24 | C25 | C26 | 121.7° | 119.5° |
| C24 | C25 | N5 | 108.5° | 107.5° |
| C25 | C24 | C39 | 107.3° | 106.2° |
| C25 | C26 | C27 | 118.1° | 120.3° |
| C26 | C25 | N5 | 129.8° | 133.0° |
| C25 | C26 | H32 | 121.0° | 119.9° |
| C26 | C27 | C22 | 122.0° | 120.6° |
| C27 | C26 | H32 | 120.9° | 119.8° |
| C26 | C27 | H33 | 119.0° | 119.7° |
| C25 | N5 | C28 | 124.6° | 125.1° |
| C25 | N5 | C30 | 108.7° | 109.7° |
| N5 | C28 | C29 | 107.8° | 109.4° |
| C28 | N5 | C30 | 125.9° | 125.1° |
| N5 | C28 | H35 | 109.9° | 109.5° |
| N5 | C28 | H34 | 109.9° | 109.5° |
| C29 | C28 | H35 | 109.9° | 109.5° |
| C29 | C28 | H34 | 109.9° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.4° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| N5 | C30 | C31 | 122.0° | 125.2° |
| N5 | C30 | C39 | 108.6° | 109.7° |
| C30 | C31 | C32 | 119.3° | 120.5° |
| C31 | C30 | C39 | 129.4° | 125.1° |
| C30 | C31 | C35 | 123.0° | 120.6° |
| C31 | C32 | C33 | 120.1° | 118.3° |
| C32 | C31 | C35 | 117.7° | 118.9° |
| C31 | C32 | H39 | 120.0° | 120.8° |
| C32 | C33 | C34 | 118.5° | 119.3° |
| C33 | C32 | H39 | 120.0° | 120.9° |
| C32 | C33 | H40 | 120.8° | 120.3° |
| C33 | C34 | N6 | 123.5° | 121.1° |
| C34 | C33 | H40 | 120.7° | 120.3° |
| C33 | C34 | H41 | 118.3° | 119.5° |
| C34 | N6 | C35 | 119.2° | 121.9° |
| N6 | C34 | H41 | 118.3° | 119.5° |
| N6 | C35 | C36 | 116.2° | 119.7° |
| N6 | C35 | C31 | 121.0° | 120.6° |
| C35 | C36 | O4 | 107.2° | 109.4° |
| C35 | C36 | C38 | 112.0° | 109.5° |
| C36 | C35 | C31 | 122.8° | 119.7° |
| C35 | C36 | H42 | 109.2° | 109.4° |
| C36 | O4 | C37 | 112.8° | 114.0° |
| O4 | C36 | C38 | 108.9° | 109.5° |
| O4 | C36 | H42 | 110.4° | 109.5° |
| O4 | C37 | H43 | 109.5° | 109.5° |
| O4 | C37 | H45 | 109.4° | 109.5° |
| O4 | C37 | H44 | 109.5° | 109.5° |
| C38 | C36 | H42 | 109.2° | 109.5° |
| C36 | C38 | H46 | 109.5° | 109.5° |
| C36 | C38 | H48 | 109.5° | 109.5° |
| C36 | C38 | H47 | 109.5° | 109.5° |
| C30 | C39 | C40 | 126.4° | 126.5° |
| C30 | C39 | C24 | 107.0° | 106.8° |
| C39 | C40 | C41 | 117.5° | 109.9° |
| C40 | C39 | C24 | 126.5° | 126.7° |
| C39 | C40 | H50 | 107.4° | 109.4° |
| C39 | C40 | H49 | 107.4° | 109.4° |
| C40 | C41 | C42 | 107.8° | 109.5° |
| C40 | C41 | C43 | 110.3° | 109.5° |
| C40 | C41 | C44 | 111.5° | 109.4° |
| C41 | C40 | H50 | 107.4° | 109.4° |
| C41 | C40 | H49 | 107.4° | 109.4° |
| C42 | C41 | C43 | 109.1° | 109.5° |
| C42 | C41 | C44 | 108.4° | 109.5° |
| C41 | C42 | H51 | 109.5° | 109.5° |
| C41 | C42 | H52 | 109.5° | 109.4° |
| C41 | C42 | H53 | 109.5° | 109.4° |
| C43 | C41 | C44 | 109.7° | 109.5° |
| C41 | C43 | H54 | 109.5° | 109.5° |
| C41 | C43 | H56 | 109.5° | 109.4° |
| C41 | C43 | H55 | 109.5° | 109.5° |
| C41 | C44 | O5 | 108.0° | 109.5° |
| C41 | C44 | H57 | 109.8° | 109.5° |
| C41 | C44 | H58 | 109.8° | 109.5° |
| C44 | O5 | C45 | 116.3° | 117.3° |
| O5 | C44 | H57 | 109.8° | 109.5° |
| O5 | C44 | H58 | 109.8° | 109.5° |
| O5 | C45 | O6 | 124.4° | 120.5° |
| O5 | C45 | C2 | 111.5° | 119.0° |
| O6 | C45 | C2 | 124.1° | 120.5° |
| C4 | C1 | H1 | 108.9° | 109.1° |
| C4 | C1 | H2 | 108.9° | 109.1° |
| C1 | C4 | H7 | 109.3° | 109.1° |
| C1 | C4 | H8 | 109.3° | 109.1° |
| C16 | C21 | H30 | 119.8° | 119.9° |
| C22 | C27 | H33 | 119.0° | 119.7° |
| C45 | C2 | H3 | 109.4° | 109.1° |
| H1 | C1 | H2 | 109.5° | 109.1° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H16 | C11 | H15 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H20 | C13 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H19 | C13 | H21 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H22 | 109.5° | 109.5° |
| H24 | C14 | H22 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H35 | C28 | H34 | 109.5° | 109.5° |
| H38 | C29 | H36 | 109.4° | 109.5° |
| H38 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H43 | C37 | H45 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.4° | 109.5° |
| H45 | C37 | H44 | 109.5° | 109.4° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.4° | 109.4° |
| H48 | C38 | H47 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.0° |
| H50 | C40 | H49 | 109.4° | 109.3° |
| H51 | C42 | H52 | 109.4° | 109.6° |
| H51 | C42 | H53 | 109.4° | 109.5° |
| H52 | C42 | H53 | 109.5° | 109.5° |
| H54 | C43 | H56 | 109.5° | 109.4° |
| H54 | C43 | H55 | 109.5° | 109.5° |
| H56 | C43 | H55 | 109.4° | 109.5° |
| H57 | C44 | H58 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | C45 | 120.0° | 120.6° |
| C1 | C2 | N1 | H3 | 121.6° | 120.5° |
| C1 | C2 | N1 | N2 | 51.0° | 66.1° |
| C2 | C1 | C4 | C3 | 52.0° | 21.2° |
| C1 | C2 | C45 | O5 | 67.2° | 162.7° |
| C1 | C2 | C45 | O6 | 109.7° | 17.4° |
| C2 | C1 | C4 | H1 | 120.3° | 120.5° |
| C2 | C1 | C4 | H2 | 120.3° | 120.4° |
| C1 | C2 | C45 | H3 | 119.4° | 120.8° |
| C2 | C1 | H1 | H2 | 119.0° | 118.9° |
| C2 | C1 | C4 | H7 | 68.0° | 99.3° |
| C2 | C1 | C4 | H8 | 172.1° | 141.8° |
| C1 | C2 | N1 | H4 | 171.3° | 170.5° |
| C2 | N1 | N2 | H4 | 120.3° | 123.4° |
| C2 | N1 | N2 | C3 | 52.7° | 29.7° |
| C2 | N1 | N2 | C5 | 126.4° | 150.3° |
| N1 | C2 | C45 | O5 | 171.0° | 42.4° |
| N1 | C2 | C45 | O6 | 12.1° | 137.7° |
| N1 | C2 | C1 | C4 | 53.0° | 37.7° |
| N1 | C2 | C45 | H3 | 118.7° | 118.9° |
| N1 | C2 | C1 | H1 | 67.3° | 82.9° |
| N1 | C2 | C1 | H2 | 173.3° | 158.1° |
| N1 | N2 | C3 | C5 | 179.0° | 180.0° |
| N1 | N2 | C3 | C4 | 52.9° | 30.4° |
| N1 | N2 | C5 | O1 | 176.6° | 179.3° |
| N1 | N2 | C5 | C6 | 4.5° | 0.8° |
| N2 | N1 | C2 | C45 | 171.0° | 173.3° |
| N2 | N1 | C2 | H3 | 70.6° | 54.4° |
| N1 | N2 | C3 | H5 | 173.1° | 150.2° |
| N1 | N2 | C3 | H6 | 67.4° | 89.5° |
| N2 | C3 | C4 | H5 | 120.2° | 119.8° |
| N2 | C3 | C4 | H6 | 120.2° | 119.9° |
| C3 | N2 | C5 | O1 | 2.4° | 0.7° |
| C3 | N2 | C5 | C6 | 176.5° | 179.2° |
| N2 | C3 | C4 | C1 | 50.3° | 56.0° |
| N2 | C3 | H5 | H6 | 119.4° | 120.4° |
| N2 | C3 | C4 | H7 | 69.8° | 64.5° |
| N2 | C3 | C4 | H8 | 170.3° | 176.5° |
| C3 | N2 | N1 | H4 | 173.0° | 153.2° |
| C4 | C3 | N2 | C5 | 126.2° | 149.6° |
| C3 | C4 | C1 | H7 | 120.1° | 120.5° |
| C3 | C4 | C1 | H8 | 120.1° | 120.5° |
| C3 | C4 | C1 | H1 | 68.3° | 141.7° |
| C3 | C4 | C1 | H2 | 172.4° | 99.2° |
| C4 | C3 | H5 | H6 | 119.4° | 120.3° |
| C3 | C4 | H7 | H8 | 119.7° | 119.0° |
| N2 | C5 | O1 | C6 | 178.9° | 179.9° |
| N2 | C5 | C6 | N3 | 154.1° | 55.9° |
| N2 | C5 | C6 | C15 | 83.0° | 176.0° |
| C5 | N2 | C3 | H5 | 6.0° | 29.8° |
| C5 | N2 | C3 | H6 | 113.6° | 90.5° |
| N2 | C5 | C6 | H9 | 34.9° | 64.0° |
| C5 | N2 | N1 | H4 | 6.1° | 26.8° |
| O1 | C5 | C6 | N3 | 24.8° | 124.3° |
| O1 | C5 | C6 | C15 | 98.1° | 4.1° |
| O1 | C5 | C6 | H9 | 144.1° | 115.9° |
| C5 | C6 | N3 | C15 | 123.5° | 120.4° |
| C5 | C6 | N3 | H9 | 118.8° | 119.8° |
| C5 | C6 | N3 | C7 | 115.6° | 54.0° |
| C5 | C6 | C15 | H9 | 117.9° | 120.1° |
| C5 | C6 | C15 | C16 | 146.3° | 153.2° |
| C5 | C6 | C15 | H25 | 93.3° | 33.2° |
| C5 | C6 | C15 | H26 | 25.9° | 86.9° |
| C5 | C6 | N3 | H10 | 64.4° | 126.0° |
| C6 | N3 | C7 | H10 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 172.3° | 174.8° |
| C6 | N3 | C7 | O3 | 7.6° | 5.2° |
| N3 | C6 | C15 | H9 | 118.3° | 119.8° |
| N3 | C6 | C15 | C16 | 89.9° | 86.7° |
| N3 | C6 | C15 | H25 | 30.5° | 153.3° |
| N3 | C6 | C15 | H26 | 149.6° | 33.2° |
| N3 | C7 | C8 | O3 | 179.8° | 180.0° |
| N3 | C7 | C8 | N4 | 110.3° | 177.8° |
| N3 | C7 | C8 | C12 | 121.4° | 62.2° |
| C7 | N3 | C6 | C15 | 120.9° | 66.4° |
| C7 | N3 | C6 | H9 | 3.2° | 173.9° |
| N3 | C7 | C8 | H11 | 4.7° | 57.8° |
| C7 | C8 | N4 | C12 | 125.8° | 120.0° |
| C7 | C8 | N4 | H11 | 114.6° | 120.0° |
| C7 | C8 | N4 | C9 | 87.5° | 124.7° |
| C7 | C8 | N4 | C11 | 85.4° | 55.4° |
| C7 | C8 | C12 | H11 | 116.8° | 120.0° |
| C7 | C8 | C12 | C13 | 61.5° | 177.3° |
| C7 | C8 | C12 | C14 | 175.9° | 57.3° |
| C7 | C8 | C12 | H18 | 56.5° | 62.7° |
| C8 | C7 | N3 | H10 | 7.8° | 5.2° |
| C8 | N4 | C9 | C11 | 172.8° | 179.9° |
| C8 | N4 | C9 | O2 | 2.6° | 5.1° |
| C8 | N4 | C9 | C10 | 176.8° | 175.0° |
| N4 | C8 | C12 | H11 | 120.1° | 120.0° |
| N4 | C8 | C12 | C13 | 175.5° | 57.3° |
| N4 | C8 | C12 | C14 | 52.8° | 62.7° |
| N4 | C8 | C7 | O3 | 69.5° | 2.2° |
| C8 | N4 | C11 | H16 | 180.0° | 95.1° |
| C8 | N4 | C11 | H15 | 60.0° | 144.9° |
| C8 | N4 | C11 | H17 | 60.0° | 24.9° |
| N4 | C8 | C12 | H18 | 66.5° | 177.3° |
| N4 | C9 | O2 | C10 | 179.3° | 179.9° |
| C9 | N4 | C8 | C12 | 146.7° | 115.3° |
| N4 | C9 | C10 | H13 | 179.4° | 174.9° |
| N4 | C9 | C10 | H12 | 59.3° | 65.0° |
| N4 | C9 | C10 | H14 | 60.7° | 55.0° |
| C9 | N4 | C11 | H16 | 7.2° | 84.9° |
| C9 | N4 | C11 | H15 | 112.7° | 35.2° |
| C9 | N4 | C11 | H17 | 127.2° | 155.2° |
| C9 | N4 | C8 | H11 | 27.0° | 4.7° |
| O2 | C9 | N4 | C11 | 175.4° | 174.9° |
| O2 | C9 | C10 | H13 | 0.0° | 5.2° |
| O2 | C9 | C10 | H12 | 120.0° | 114.9° |
| O2 | C9 | C10 | H14 | 120.0° | 125.1° |
| C10 | C9 | N4 | C11 | 3.9° | 5.0° |
| C9 | C10 | H13 | H12 | 120.0° | 120.0° |
| C9 | C10 | H13 | H14 | 120.0° | 119.9° |
| C9 | C10 | H12 | H14 | 120.0° | 119.9° |
| C11 | N4 | C8 | C12 | 40.4° | 64.6° |
| N4 | C11 | H16 | H15 | 120.0° | 120.0° |
| N4 | C11 | H16 | H17 | 120.0° | 120.0° |
| N4 | C11 | H15 | H17 | 120.0° | 120.0° |
| C11 | N4 | C8 | H11 | 160.1° | 175.3° |
| C8 | C12 | C13 | C14 | 124.2° | 120.0° |
| C8 | C12 | C13 | H18 | 117.8° | 120.0° |
| C8 | C12 | C14 | H18 | 119.2° | 120.0° |
| C12 | C8 | C7 | O3 | 58.8° | 117.8° |
| C8 | C12 | C13 | H20 | 180.0° | 180.0° |
| C8 | C12 | C13 | H19 | 60.0° | 60.0° |
| C8 | C12 | C13 | H21 | 60.0° | 60.0° |
| C8 | C12 | C14 | H23 | 180.0° | 69.6° |
| C8 | C12 | C14 | H24 | 60.0° | 50.4° |
| C8 | C12 | C14 | H22 | 60.0° | 170.4° |
| C13 | C12 | C14 | H18 | 118.1° | 120.1° |
| C12 | C13 | H20 | H19 | 120.0° | 119.9° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H19 | H21 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 57.3° | 50.4° |
| C13 | C12 | C14 | H24 | 62.7° | 170.4° |
| C13 | C12 | C14 | H22 | 177.3° | 69.7° |
| C13 | C12 | C8 | H11 | 55.4° | 62.8° |
| C14 | C12 | C13 | H20 | 55.8° | 60.1° |
| C14 | C12 | C13 | H19 | 175.8° | 180.0° |
| C14 | C12 | C13 | H21 | 64.2° | 60.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H22 | 120.0° | 120.0° |
| C12 | C14 | H24 | H22 | 120.0° | 119.9° |
| C14 | C12 | C8 | H11 | 67.3° | 177.3° |
| O3 | C7 | C8 | H11 | 175.5° | 122.2° |
| O3 | C7 | N3 | H10 | 172.4° | 174.8° |
| C6 | C15 | C16 | H25 | 120.4° | 120.0° |
| C6 | C15 | C16 | H26 | 120.4° | 120.0° |
| C6 | C15 | C16 | C17 | 118.4° | 10.2° |
| C6 | C15 | C16 | C21 | 58.7° | 169.8° |
| C6 | C15 | H25 | H26 | 118.7° | 120.1° |
| C15 | C6 | N3 | H10 | 59.1° | 113.6° |
| C15 | C16 | C17 | C21 | 177.1° | 180.0° |
| C15 | C16 | C17 | C18 | 178.1° | 179.3° |
| C15 | C16 | C21 | C20 | 177.9° | 179.5° |
| C16 | C15 | H25 | H26 | 118.7° | 119.9° |
| C15 | C16 | C17 | H27 | 1.9° | 0.7° |
| C15 | C16 | C21 | H30 | 2.1° | 0.6° |
| C16 | C15 | C6 | H9 | 28.3° | 33.1° |
| C16 | C17 | C18 | H27 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.5° |
| C17 | C16 | C21 | C20 | 0.8° | 0.5° |
| C16 | C17 | C18 | C22 | 177.8° | 179.4° |
| C17 | C16 | C15 | H25 | 121.2° | 130.3° |
| C17 | C16 | C15 | H26 | 2.0° | 109.7° |
| C17 | C16 | C21 | H30 | 179.2° | 179.4° |
| C17 | C18 | C19 | C22 | 177.2° | 179.9° |
| C17 | C18 | C19 | C20 | 2.5° | 0.0° |
| C17 | C18 | C22 | C23 | 19.7° | 3.5° |
| C18 | C17 | C16 | C21 | 1.0° | 0.7° |
| C17 | C18 | C22 | C27 | 158.1° | 176.4° |
| C17 | C18 | C19 | H28 | 177.5° | 180.0° |
| C18 | C19 | C20 | H28 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.8° | 0.3° |
| C19 | C18 | C22 | C23 | 163.2° | 176.6° |
| C19 | C18 | C22 | C27 | 19.0° | 3.5° |
| C19 | C18 | C17 | H27 | 179.4° | 179.5° |
| C18 | C19 | C20 | H29 | 177.3° | 179.8° |
| C19 | C20 | C21 | H29 | 180.0° | 180.0° |
| C20 | C19 | C18 | C22 | 179.7° | 179.9° |
| C19 | C20 | C21 | C16 | 1.0° | 0.0° |
| C19 | C20 | C21 | H30 | 179.0° | 179.9° |
| C20 | C21 | C16 | H30 | 180.0° | 179.9° |
| C21 | C20 | C19 | H28 | 177.3° | 179.8° |
| C18 | C22 | C23 | C27 | 177.8° | 179.9° |
| C18 | C22 | C23 | C24 | 179.4° | 179.4° |
| C18 | C22 | C27 | C26 | 179.0° | 178.9° |
| C22 | C18 | C17 | H27 | 2.2° | 0.6° |
| C22 | C18 | C19 | H28 | 0.4° | 0.2° |
| C18 | C22 | C23 | H31 | 0.6° | 0.5° |
| C18 | C22 | C27 | H33 | 1.1° | 1.1° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.0° | 0.8° |
| C23 | C22 | C27 | C26 | 1.1° | 1.0° |
| C22 | C23 | C24 | C39 | 178.8° | 178.6° |
| C23 | C22 | C27 | H33 | 178.9° | 179.0° |
| C23 | C24 | C25 | C39 | 179.9° | 179.5° |
| C23 | C24 | C25 | C26 | 0.1° | 1.5° |
| C23 | C24 | C25 | N5 | 179.0° | 178.4° |
| C23 | C24 | C39 | C30 | 179.6° | 178.7° |
| C23 | C24 | C39 | C40 | 3.1° | 1.9° |
| C24 | C23 | C22 | C27 | 1.6° | 0.4° |
| C24 | C25 | C26 | N5 | 178.9° | 179.8° |
| C24 | C25 | C26 | C27 | 0.6° | 0.9° |
| C24 | C25 | N5 | C28 | 171.9° | 178.4° |
| C24 | C25 | N5 | C30 | 2.0° | 1.6° |
| C25 | C24 | C39 | C30 | 0.5° | 1.9° |
| C25 | C24 | C39 | C40 | 177.1° | 177.5° |
| C25 | C24 | C23 | H31 | 179.0° | 179.2° |
| C24 | C25 | C26 | H32 | 179.4° | 179.1° |
| C25 | C26 | C27 | H32 | 180.0° | 179.9° |
| C26 | C25 | N5 | C28 | 9.2° | 1.4° |
| C26 | C25 | N5 | C30 | 179.1° | 178.6° |
| C25 | C26 | C27 | C22 | 0.0° | 0.3° |
| C26 | C25 | C24 | C39 | 180.0° | 178.1° |
| C25 | C26 | C27 | H33 | 180.0° | 179.7° |
| C27 | C26 | C25 | N5 | 178.3° | 178.9° |
| C26 | C27 | C22 | H33 | 180.0° | 180.0° |
| C25 | N5 | C28 | C30 | 168.2° | 180.0° |
| C25 | N5 | C28 | C29 | 82.9° | 90.0° |
| C25 | N5 | C30 | C31 | 175.5° | 179.6° |
| C25 | N5 | C30 | C39 | 2.3° | 0.4° |
| N5 | C25 | C24 | C39 | 0.9° | 2.1° |
| N5 | C25 | C26 | H32 | 1.7° | 1.1° |
| C25 | N5 | C28 | H35 | 157.4° | 30.0° |
| C25 | N5 | C28 | H34 | 36.9° | 150.0° |
| N5 | C28 | C29 | H35 | 119.7° | 120.0° |
| N5 | C28 | C29 | H34 | 119.7° | 120.0° |
| C28 | N5 | C30 | C31 | 5.7° | 0.4° |
| C28 | N5 | C30 | C39 | 172.0° | 179.6° |
| N5 | C28 | H35 | H34 | 120.8° | 120.0° |
| N5 | C28 | C29 | H38 | 180.0° | 180.0° |
| N5 | C28 | C29 | H36 | 60.0° | 60.0° |
| N5 | C28 | C29 | H37 | 60.0° | 60.0° |
| C29 | C28 | N5 | C30 | 85.3° | 90.0° |
| C29 | C28 | H35 | H34 | 120.8° | 120.0° |
| C28 | C29 | H38 | H36 | 120.0° | 120.0° |
| C28 | C29 | H38 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| N5 | C30 | C31 | C39 | 177.3° | 180.0° |
| N5 | C30 | C31 | C32 | 111.0° | 85.0° |
| N5 | C30 | C39 | C40 | 178.3° | 178.4° |
| N5 | C30 | C31 | C35 | 68.6° | 95.4° |
| N5 | C30 | C39 | C24 | 1.7° | 0.9° |
| C30 | N5 | C28 | H35 | 34.4° | 150.0° |
| C30 | N5 | C28 | H34 | 154.9° | 30.0° |
| C30 | C31 | C32 | C35 | 179.6° | 179.7° |
| C30 | C31 | C32 | C33 | 179.5° | 180.0° |
| C30 | C31 | C35 | N6 | 179.7° | 179.8° |
| C30 | C31 | C35 | C36 | 1.2° | 0.0° |
| C31 | C30 | C39 | C40 | 0.7° | 1.6° |
| C31 | C30 | C39 | C24 | 175.9° | 179.1° |
| C30 | C31 | C32 | H39 | 0.5° | 0.1° |
| C31 | C32 | C33 | H39 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 0.5° | 0.1° |
| C32 | C31 | C35 | N6 | 0.7° | 0.5° |
| C32 | C31 | C35 | C36 | 179.2° | 179.7° |
| C32 | C31 | C30 | C39 | 66.3° | 95.1° |
| C31 | C32 | C33 | H40 | 179.6° | 179.9° |
| C32 | C33 | C34 | H40 | 180.0° | 180.0° |
| C32 | C33 | C34 | N6 | 0.0° | 0.1° |
| C33 | C32 | C31 | C35 | 0.1° | 0.3° |
| C32 | C33 | C34 | H41 | 180.0° | 180.0° |
| C33 | C34 | N6 | H41 | 180.0° | 180.0° |
| C33 | C34 | N6 | C35 | 0.8° | 0.3° |
| C34 | C33 | C32 | H39 | 179.6° | 179.9° |
| C34 | N6 | C35 | C36 | 179.8° | 179.7° |
| C34 | N6 | C35 | C31 | 1.2° | 0.5° |
| N6 | C34 | C33 | H40 | 180.0° | 180.0° |
| N6 | C35 | C36 | C31 | 178.6° | 179.8° |
| N6 | C35 | C36 | O4 | 71.7° | 44.8° |
| N6 | C35 | C36 | C38 | 47.7° | 75.3° |
| C35 | N6 | C34 | H41 | 179.2° | 179.8° |
| N6 | C35 | C36 | H42 | 168.7° | 164.8° |
| C35 | C36 | O4 | C38 | 121.3° | 120.0° |
| C35 | C36 | O4 | H42 | 118.8° | 119.9° |
| C35 | C36 | O4 | C37 | 151.5° | 150.0° |
| C35 | C36 | C38 | H42 | 121.0° | 120.0° |
| C35 | C36 | C38 | H46 | 180.0° | 60.0° |
| C35 | C36 | C38 | H48 | 60.0° | 180.0° |
| C35 | C36 | C38 | H47 | 60.0° | 60.0° |
| O4 | C36 | C38 | H42 | 120.6° | 120.0° |
| O4 | C36 | C35 | C31 | 109.8° | 135.0° |
| C36 | O4 | C37 | H43 | 180.0° | 180.0° |
| C36 | O4 | C37 | H45 | 60.0° | 60.0° |
| C36 | O4 | C37 | H44 | 60.0° | 60.0° |
| O4 | C36 | C38 | H46 | 61.6° | 180.0° |
| O4 | C36 | C38 | H48 | 58.4° | 60.0° |
| O4 | C36 | C38 | H47 | 178.4° | 60.0° |
| C37 | O4 | C36 | C38 | 87.2° | 90.0° |
| C37 | O4 | C36 | H42 | 32.7° | 30.1° |
| O4 | C37 | H43 | H45 | 120.0° | 120.0° |
| O4 | C37 | H43 | H44 | 120.0° | 120.0° |
| O4 | C37 | H45 | H44 | 120.0° | 120.0° |
| C38 | C36 | C35 | C31 | 130.9° | 105.0° |
| C36 | C38 | H46 | H48 | 120.0° | 120.0° |
| C36 | C38 | H46 | H47 | 120.0° | 120.0° |
| C36 | C38 | H48 | H47 | 120.0° | 120.0° |
| C30 | C39 | C40 | C24 | 175.9° | 179.2° |
| C30 | C39 | C40 | C41 | 95.0° | 92.2° |
| C39 | C30 | C31 | C35 | 114.2° | 84.6° |
| C30 | C39 | C40 | H50 | 26.1° | 147.6° |
| C30 | C39 | C40 | H49 | 143.8° | 28.0° |
| C39 | C40 | C41 | H50 | 121.2° | 120.2° |
| C39 | C40 | C41 | H49 | 121.2° | 120.1° |
| C39 | C40 | C41 | C42 | 174.6° | 46.6° |
| C39 | C40 | C41 | C43 | 55.6° | 73.4° |
| C39 | C40 | C41 | C44 | 66.5° | 166.6° |
| C39 | C40 | H50 | H49 | 116.3° | 119.8° |
| C40 | C41 | C42 | C43 | 119.8° | 120.0° |
| C40 | C41 | C42 | C44 | 120.9° | 119.9° |
| C40 | C41 | C43 | C44 | 123.2° | 119.9° |
| C40 | C41 | C44 | O5 | 64.1° | 100.3° |
| C41 | C40 | C39 | C24 | 89.1° | 88.6° |
| C41 | C40 | H50 | H49 | 116.3° | 119.8° |
| C40 | C41 | C42 | H51 | 180.0° | 60.0° |
| C40 | C41 | C42 | H52 | 60.0° | 180.0° |
| C40 | C41 | C42 | H53 | 60.0° | 60.0° |
| C40 | C41 | C43 | H54 | 180.0° | 67.7° |
| C40 | C41 | C43 | H56 | 60.0° | 172.3° |
| C40 | C41 | C43 | H55 | 60.0° | 52.3° |
| C40 | C41 | C44 | H57 | 55.6° | 19.7° |
| C40 | C41 | C44 | H58 | 176.1° | 139.7° |
| C42 | C41 | C43 | C44 | 118.6° | 120.1° |
| C42 | C41 | C44 | O5 | 54.4° | 19.6° |
| C42 | C41 | C40 | H50 | 53.4° | 73.5° |
| C42 | C41 | C40 | H49 | 64.2° | 166.8° |
| C41 | C42 | H51 | H52 | 120.0° | 120.0° |
| C41 | C42 | H51 | H53 | 120.0° | 120.0° |
| C41 | C42 | H52 | H53 | 120.0° | 119.9° |
| C42 | C41 | C43 | H54 | 61.8° | 52.3° |
| C42 | C41 | C43 | H56 | 178.2° | 67.6° |
| C42 | C41 | C43 | H55 | 58.2° | 172.4° |
| C42 | C41 | C44 | H57 | 174.1° | 139.7° |
| C42 | C41 | C44 | H58 | 65.4° | 100.3° |
| C43 | C41 | C44 | O5 | 173.4° | 139.7° |
| C43 | C41 | C40 | H50 | 65.6° | 166.4° |
| C43 | C41 | C40 | H49 | 176.8° | 46.7° |
| C43 | C41 | C42 | H51 | 60.3° | 180.0° |
| C43 | C41 | C42 | H52 | 59.7° | 59.9° |
| C43 | C41 | C42 | H53 | 179.8° | 60.0° |
| C41 | C43 | H54 | H56 | 120.0° | 120.0° |
| C41 | C43 | H54 | H55 | 120.0° | 120.0° |
| C41 | C43 | H56 | H55 | 120.0° | 120.0° |
| C43 | C41 | C44 | H57 | 66.9° | 100.3° |
| C43 | C41 | C44 | H58 | 53.6° | 19.8° |
| C41 | C44 | O5 | H57 | 119.8° | 120.0° |
| C41 | C44 | O5 | H58 | 119.8° | 120.0° |
| C41 | C44 | O5 | C45 | 176.9° | 161.6° |
| C44 | C41 | C40 | H50 | 172.3° | 46.4° |
| C44 | C41 | C40 | H49 | 54.7° | 73.3° |
| C44 | C41 | C42 | H51 | 59.1° | 59.9° |
| C44 | C41 | C42 | H52 | 179.1° | 60.1° |
| C44 | C41 | C42 | H53 | 60.9° | 179.9° |
| C44 | C41 | C43 | H54 | 56.8° | 172.4° |
| C44 | C41 | C43 | H56 | 63.2° | 52.4° |
| C44 | C41 | C43 | H55 | 176.8° | 67.6° |
| C41 | C44 | H57 | H58 | 120.7° | 120.0° |
| C44 | O5 | C45 | O6 | 7.3° | 1.9° |
| C44 | O5 | C45 | C2 | 169.5° | 178.0° |
| O5 | C44 | H57 | H58 | 120.7° | 120.0° |
| O5 | C45 | O6 | C2 | 176.5° | 179.9° |
| O5 | C45 | C2 | H3 | 52.3° | 76.5° |
| C45 | O5 | C44 | H57 | 63.4° | 78.4° |
| C45 | O5 | C44 | H58 | 57.1° | 41.6° |
| O6 | C45 | C2 | H3 | 130.8° | 103.3° |
| C4 | C1 | C2 | C45 | 171.1° | 157.4° |
| C4 | C1 | H1 | H2 | 119.0° | 119.1° |
| C4 | C1 | C2 | H3 | 69.2° | 82.3° |
| C1 | C4 | C3 | H5 | 170.4° | 175.8° |
| C1 | C4 | C3 | H6 | 70.0° | 64.0° |
| C1 | C4 | H7 | H8 | 119.7° | 119.0° |
| C21 | C16 | C15 | H25 | 61.8° | 49.7° |
| C21 | C16 | C15 | H26 | 179.0° | 70.3° |
| C21 | C16 | C17 | H27 | 179.0° | 179.3° |
| C16 | C21 | C20 | H29 | 179.0° | 180.0° |
| C27 | C22 | C23 | H31 | 178.4° | 179.6° |
| C22 | C27 | C26 | H32 | 180.0° | 179.7° |
| C35 | C31 | C32 | H39 | 179.9° | 179.8° |
| C31 | C35 | C36 | H42 | 9.9° | 15.0° |
| C45 | C2 | C1 | H1 | 50.8° | 36.9° |
| C45 | C2 | C1 | H2 | 68.6° | 82.1° |
| C45 | C2 | N1 | H4 | 68.7° | 49.9° |
| C39 | C24 | C23 | H31 | 1.2° | 1.4° |
| C24 | C39 | C40 | H50 | 149.7° | 31.6° |
| C24 | C39 | C40 | H49 | 32.1° | 151.3° |
| H1 | C1 | C2 | H3 | 170.5° | 157.2° |
| H1 | C1 | C4 | H7 | 171.7° | 21.2° |
| H1 | C1 | C4 | H8 | 51.8° | 97.7° |
| H2 | C1 | C2 | H3 | 51.1° | 38.2° |
| H2 | C1 | C4 | H7 | 52.3° | 140.3° |
| H2 | C1 | C4 | H8 | 67.6° | 21.3° |
| H13 | C10 | H12 | H14 | 120.0° | 120.0° |
| H16 | C11 | H15 | H17 | 120.0° | 120.0° |
| H18 | C12 | C13 | H20 | 62.2° | 60.0° |
| H18 | C12 | C13 | H19 | 57.8° | 60.0° |
| H18 | C12 | C13 | H21 | 177.8° | 180.0° |
| H18 | C12 | C14 | H23 | 60.8° | 170.4° |
| H18 | C12 | C14 | H24 | 179.2° | 69.6° |
| H18 | C12 | C14 | H22 | 59.2° | 50.4° |
| H18 | C12 | C8 | H11 | 173.3° | 57.3° |
| H20 | C13 | H19 | H21 | 120.0° | 120.1° |
| H23 | C14 | H24 | H22 | 120.0° | 120.0° |
| H25 | C15 | C6 | H9 | 148.7° | 86.9° |
| H26 | C15 | C6 | H9 | 92.1° | 153.0° |
| H28 | C19 | C20 | H29 | 2.7° | 0.2° |
| H3 | C2 | N1 | H4 | 49.6° | 69.1° |
| H29 | C20 | C21 | H30 | 1.0° | 0.1° |
| H32 | C26 | C27 | H33 | 0.0° | 0.3° |
| H35 | C28 | C29 | H38 | 60.3° | 60.0° |
| H35 | C28 | C29 | H36 | 179.7° | 60.0° |
| H35 | C28 | C29 | H37 | 59.7° | NaN° |
| H34 | C28 | C29 | H38 | 60.2° | 60.0° |
| H34 | C28 | C29 | H36 | 59.7° | 180.0° |
| H34 | C28 | C29 | H37 | 179.8° | 60.0° |
| H38 | C29 | H36 | H37 | 120.0° | 120.0° |
| H5 | C3 | C4 | H7 | 50.4° | 55.3° |
| H5 | C3 | C4 | H8 | 69.5° | 63.7° |
| H6 | C3 | C4 | H7 | 169.9° | 175.5° |
| H6 | C3 | C4 | H8 | 50.1° | 56.6° |
| H39 | C32 | C33 | H40 | 0.4° | 0.1° |
| H40 | C33 | C34 | H41 | 0.0° | 0.0° |
| H42 | C36 | C38 | H46 | 59.0° | 60.0° |
| H42 | C36 | C38 | H48 | 179.0° | 60.1° |
| H42 | C36 | C38 | H47 | 61.0° | 179.9° |
| H43 | C37 | H45 | H44 | 119.9° | 120.0° |
| H46 | C38 | H48 | H47 | 119.9° | 120.0° |
| H51 | C42 | H52 | H53 | 120.0° | 120.0° |
| H54 | C43 | H56 | H55 | 120.0° | 120.0° |
| H9 | C6 | N3 | H10 | 176.8° | 6.2° |
