A1A1I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | N8 | doub | 1.32Å | 1.31Å | Aromatic |
| C38 | C37 | sing | 1.40Å | 1.39Å | Aromatic |
| N8 | C35 | sing | 1.33Å | 1.34Å | Aromatic |
| C39 | C37 | sing | 1.46Å | 1.41Å | |
| C39 | C40 | doub | 1.36Å | 1.34Å | |
| C37 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C40 | C41 | sing | 1.41Å | 1.43Å | |
| C35 | N6 | sing | 1.38Å | 1.35Å | |
| C35 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C34 | sing | 1.40Å | 1.41Å | |
| C36 | N7 | sing | 1.33Å | 1.32Å | Aromatic |
| C36 | N9 | sing | 1.37Å | 1.38Å | |
| C41 | N9 | sing | 1.35Å | 1.39Å | |
| C41 | O6 | doub | 1.22Å | 1.23Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N9 | C42 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C33 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | C42 | sing | 1.54Å | 1.53Å | |
| C46 | C45 | sing | 1.55Å | 1.51Å | |
| C42 | C43 | sing | 1.54Å | 1.53Å | |
| C32 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.77Å | |
| O5 | S1 | doub | 1.42Å | 1.44Å | |
| C45 | C44 | sing | 1.55Å | 1.49Å | |
| C43 | C44 | sing | 1.54Å | 1.52Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| S1 | C5 | sing | 1.81Å | 1.77Å | |
| C5 | C8 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C19 | sing | 1.40Å | 1.38Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C31 | sing | 1.35Å | 1.35Å | |
| C31 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | N3 | sing | 1.39Å | 1.38Å | |
| C22 | N4 | sing | 1.40Å | 1.39Å | |
| N3 | C30 | sing | 1.46Å | 1.45Å | |
| N3 | C24 | sing | 1.35Å | 1.37Å | |
| N4 | C24 | sing | 1.35Å | 1.38Å | |
| N4 | C25 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| O2 | C29 | doub | 1.21Å | 1.21Å | |
| O3 | C28 | doub | 1.21Å | 1.22Å | |
| C29 | N5 | sing | 1.34Å | 1.37Å | |
| C29 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | O4 | doub | 1.22Å | 1.22Å | |
| C28 | N5 | sing | 1.34Å | 1.38Å | |
| C28 | C27 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.09Å | 1.10Å | |
| C6 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C8 | H50 | sing | 1.09Å | 1.10Å | |
| C9 | H51 | sing | 1.09Å | 1.10Å | |
| C9 | H52 | sing | 1.09Å | 1.10Å | |
| N5 | H54 | sing | 0.97Å | 1.00Å | |
| N6 | H55 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C38 | C37 | 122.2° | 118.5° |
| C38 | N8 | C35 | 117.7° | 121.2° |
| N8 | C38 | H34 | 118.9° | 120.8° |
| C38 | C37 | C39 | 125.4° | 122.0° |
| C38 | C37 | C36 | 115.6° | 118.8° |
| C37 | C38 | H34 | 118.9° | 120.7° |
| N8 | C35 | N6 | 116.5° | 118.7° |
| N8 | C35 | N7 | 125.4° | 122.5° |
| C37 | C39 | C40 | 120.7° | 118.3° |
| C39 | C37 | C36 | 119.0° | 119.2° |
| C37 | C39 | H35 | 119.7° | 120.8° |
| C39 | C40 | C41 | 120.6° | 120.2° |
| C40 | C39 | H35 | 119.7° | 120.9° |
| C39 | C40 | H36 | 119.7° | 119.9° |
| C37 | C36 | N7 | 122.8° | 118.7° |
| C37 | C36 | N9 | 120.4° | 119.5° |
| C40 | C41 | N9 | 119.2° | 121.8° |
| C40 | C41 | O6 | 121.4° | 119.1° |
| C41 | C40 | H36 | 119.7° | 119.9° |
| N6 | C35 | N7 | 118.1° | 118.7° |
| C35 | N6 | C34 | 130.7° | 120.0° |
| C35 | N6 | H55 | 114.6° | 120.0° |
| C35 | N7 | C36 | 116.3° | 120.3° |
| N6 | C34 | C33 | 121.8° | 120.1° |
| N6 | C34 | C2 | 118.2° | 120.1° |
| C34 | N6 | H55 | 114.6° | 120.0° |
| N7 | C36 | N9 | 116.9° | 121.7° |
| C36 | N9 | C41 | 120.3° | 121.0° |
| C36 | N9 | C42 | 119.1° | 119.5° |
| N9 | C41 | O6 | 119.4° | 119.1° |
| C41 | N9 | C42 | 120.7° | 119.5° |
| C33 | C34 | C2 | 120.1° | 119.9° |
| C34 | C33 | C32 | 120.5° | 119.9° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C34 | C2 | C1 | 120.6° | 120.0° |
| C34 | C2 | C3 | 118.7° | 119.9° |
| N9 | C42 | C46 | 114.5° | 110.1° |
| N9 | C42 | C43 | 116.0° | 110.0° |
| N9 | C42 | H37 | 108.3° | 110.0° |
| C1 | C2 | C3 | 120.7° | 120.1° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C33 | C32 | C4 | 119.7° | 120.1° |
| C33 | C32 | H32 | 120.2° | 119.9° |
| C32 | C33 | H33 | 119.7° | 120.1° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C2 | C3 | H28 | 119.7° | 120.0° |
| C42 | C46 | C45 | 104.5° | 104.2° |
| C46 | C42 | C43 | 102.2° | 106.6° |
| C46 | C42 | H37 | 107.6° | 110.1° |
| C42 | C46 | H44 | 110.7° | 110.5° |
| C42 | C46 | H45 | 110.7° | 110.5° |
| C46 | C45 | C44 | 107.0° | 102.8° |
| C46 | C45 | H42 | 110.1° | 110.7° |
| C46 | C45 | H43 | 110.1° | 110.9° |
| C45 | C46 | H44 | 110.7° | 110.5° |
| C45 | C46 | H45 | 110.7° | 110.5° |
| C42 | C43 | C44 | 104.5° | 106.6° |
| C43 | C42 | H37 | 107.7° | 110.0° |
| C42 | C43 | H38 | 110.7° | 110.1° |
| C42 | C43 | H39 | 110.7° | 110.0° |
| C32 | C4 | C3 | 120.3° | 120.1° |
| C32 | C4 | S1 | 119.6° | 119.9° |
| C4 | C32 | H32 | 120.2° | 120.0° |
| C3 | C4 | S1 | 120.1° | 119.9° |
| C4 | C3 | H28 | 119.6° | 119.9° |
| C4 | S1 | O5 | 108.7° | 104.3° |
| C4 | S1 | O1 | 108.4° | 104.3° |
| C4 | S1 | C5 | 103.1° | 104.5° |
| O5 | S1 | O1 | 118.4° | 121.0° |
| O5 | S1 | C5 | 108.6° | 110.6° |
| C45 | C44 | C43 | 107.2° | 104.2° |
| C45 | C44 | H40 | 110.0° | 110.5° |
| C45 | C44 | H41 | 110.0° | 110.6° |
| C44 | C45 | H42 | 110.1° | 110.8° |
| C44 | C45 | H43 | 110.1° | 110.7° |
| C44 | C43 | H38 | 110.7° | 110.1° |
| C44 | C43 | H39 | 110.7° | 110.0° |
| C43 | C44 | H40 | 110.0° | 110.5° |
| C43 | C44 | H41 | 110.0° | 110.5° |
| O1 | S1 | C5 | 108.5° | 110.6° |
| S1 | C5 | C8 | 113.9° | 113.6° |
| S1 | C5 | C6 | 111.2° | 113.6° |
| S1 | C5 | H46 | 111.2° | 112.9° |
| C8 | C5 | C6 | 89.7° | 87.2° |
| C5 | C8 | C7 | 89.1° | 86.9° |
| C8 | C5 | H46 | 114.6° | 113.6° |
| C5 | C8 | H49 | 114.3° | 113.6° |
| C5 | C8 | H50 | 114.3° | 113.6° |
| C5 | C6 | C7 | 89.3° | 87.0° |
| C6 | C5 | H46 | 114.7° | 113.6° |
| C5 | C6 | H47 | 114.3° | 113.7° |
| C5 | C6 | H48 | 114.3° | 113.7° |
| C8 | C7 | C6 | 88.6° | 87.5° |
| C8 | C7 | C9 | 115.1° | 113.6° |
| C8 | C7 | C12 | 114.4° | 113.6° |
| C7 | C8 | H49 | 114.3° | 113.6° |
| C7 | C8 | H50 | 114.3° | 113.6° |
| C6 | C7 | C9 | 113.1° | 113.6° |
| C6 | C7 | C12 | 114.1° | 113.6° |
| C7 | C6 | H47 | 114.3° | 113.6° |
| C7 | C6 | H48 | 114.3° | 113.6° |
| C9 | C7 | C12 | 110.0° | 112.7° |
| C7 | C9 | C10 | 106.8° | 109.0° |
| C7 | C9 | H51 | 110.1° | 109.6° |
| C7 | C9 | H52 | 110.1° | 109.6° |
| C7 | C12 | C11 | 108.5° | 109.0° |
| C7 | C12 | H8 | 109.7° | 109.5° |
| C7 | C12 | H9 | 109.7° | 109.6° |
| C9 | C10 | N1 | 110.3° | 109.4° |
| C9 | C10 | H4 | 109.3° | 109.5° |
| C9 | C10 | H5 | 109.3° | 109.5° |
| C10 | C9 | H51 | 110.1° | 109.5° |
| C10 | C9 | H52 | 110.1° | 109.5° |
| C12 | C11 | N1 | 111.4° | 109.5° |
| C12 | C11 | H6 | 109.0° | 109.5° |
| C12 | C11 | H7 | 109.0° | 109.5° |
| C11 | C12 | H8 | 109.7° | 109.6° |
| C11 | C12 | H9 | 109.7° | 109.5° |
| C10 | N1 | C11 | 110.1° | 111.5° |
| C10 | N1 | C13 | 111.4° | 111.0° |
| N1 | C10 | H4 | 109.2° | 109.5° |
| N1 | C10 | H5 | 109.3° | 109.5° |
| C11 | N1 | C13 | 111.3° | 111.0° |
| N1 | C11 | H6 | 109.0° | 109.5° |
| N1 | C11 | H7 | 109.0° | 109.5° |
| N1 | C13 | C14 | 114.5° | 109.4° |
| N1 | C13 | H10 | 108.2° | 109.5° |
| N1 | C13 | H11 | 108.2° | 109.4° |
| C13 | C14 | C18 | 115.3° | 109.5° |
| C13 | C14 | C15 | 109.9° | 109.6° |
| C14 | C13 | H10 | 108.2° | 109.5° |
| C14 | C13 | H11 | 108.2° | 109.5° |
| C13 | C14 | H12 | 107.1° | 109.5° |
| C18 | C14 | C15 | 110.2° | 109.1° |
| C14 | C18 | C17 | 113.7° | 109.3° |
| C18 | C14 | H12 | 107.0° | 109.5° |
| C14 | C18 | H19 | 108.4° | 109.5° |
| C14 | C18 | H20 | 108.4° | 109.5° |
| C14 | C15 | C16 | 110.3° | 109.3° |
| C15 | C14 | H12 | 107.0° | 109.6° |
| C14 | C15 | H13 | 109.3° | 109.5° |
| C14 | C15 | H14 | 109.3° | 109.5° |
| C18 | C17 | N2 | 111.5° | 109.5° |
| C18 | C17 | H17 | 108.9° | 109.4° |
| C18 | C17 | H18 | 108.9° | 109.5° |
| C17 | C18 | H19 | 108.4° | 109.5° |
| C17 | C18 | H20 | 108.4° | 109.5° |
| C15 | C16 | N2 | 109.0° | 109.5° |
| C16 | C15 | H13 | 109.3° | 109.5° |
| C16 | C15 | H14 | 109.3° | 109.5° |
| C15 | C16 | H15 | 109.6° | 109.5° |
| C15 | C16 | H16 | 109.6° | 109.4° |
| C17 | N2 | C16 | 116.3° | 111.2° |
| C17 | N2 | C19 | 126.5° | 111.0° |
| N2 | C17 | H17 | 108.9° | 109.5° |
| N2 | C17 | H18 | 109.0° | 109.5° |
| C16 | N2 | C19 | 117.0° | 111.0° |
| N2 | C16 | H15 | 109.6° | 109.5° |
| N2 | C16 | H16 | 109.6° | 109.5° |
| N2 | C19 | C20 | 122.7° | 119.9° |
| N2 | C19 | C31 | 117.5° | 120.0° |
| C20 | C19 | C31 | 119.7° | 120.1° |
| C19 | C20 | C21 | 121.6° | 120.2° |
| C19 | C20 | H21 | 119.2° | 119.9° |
| C19 | C31 | F1 | 119.2° | 120.1° |
| C19 | C31 | C23 | 119.5° | 119.8° |
| C20 | C21 | C22 | 118.6° | 119.9° |
| C21 | C20 | H21 | 119.2° | 119.9° |
| C20 | C21 | H22 | 120.7° | 120.0° |
| F1 | C31 | C23 | 121.3° | 120.1° |
| C31 | C23 | C22 | 120.2° | 119.9° |
| C31 | C23 | N3 | 132.2° | 133.3° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C21 | C22 | N4 | 133.1° | 133.2° |
| C22 | C21 | H22 | 120.7° | 120.1° |
| C22 | C23 | N3 | 107.6° | 106.8° |
| C23 | C22 | N4 | 106.6° | 106.7° |
| C23 | N3 | C30 | 126.2° | 125.8° |
| C23 | N3 | C24 | 109.1° | 108.4° |
| C22 | N4 | C24 | 109.2° | 108.4° |
| C22 | N4 | C25 | 127.7° | 125.8° |
| C30 | N3 | C24 | 124.7° | 125.8° |
| N3 | C30 | H29 | 109.5° | 109.4° |
| N3 | C30 | H30 | 109.5° | 109.5° |
| N3 | C30 | H31 | 109.5° | 109.5° |
| N3 | C24 | N4 | 107.6° | 109.7° |
| N3 | C24 | O4 | 126.4° | 125.2° |
| C24 | N4 | C25 | 123.1° | 125.8° |
| N4 | C24 | O4 | 126.0° | 125.1° |
| N4 | C25 | C26 | 112.3° | 109.5° |
| N4 | C25 | C29 | 108.6° | 109.5° |
| N4 | C25 | H23 | 108.4° | 109.5° |
| C25 | C26 | C27 | 112.7° | 108.5° |
| C26 | C25 | C29 | 111.8° | 109.2° |
| C26 | C25 | H23 | 107.7° | 109.5° |
| C25 | C26 | H24 | 108.7° | 109.6° |
| C25 | C26 | H25 | 108.6° | 109.6° |
| C26 | C27 | C28 | 113.9° | 109.2° |
| C27 | C26 | H24 | 108.6° | 109.6° |
| C27 | C26 | H25 | 108.6° | 109.6° |
| C26 | C27 | H26 | 108.3° | 109.5° |
| C26 | C27 | H27 | 108.4° | 109.6° |
| O2 | C29 | N5 | 120.0° | 119.4° |
| O2 | C29 | C25 | 121.6° | 119.3° |
| O3 | C28 | N5 | 119.5° | 119.3° |
| O3 | C28 | C27 | 123.1° | 119.4° |
| N5 | C29 | C25 | 118.3° | 121.3° |
| C29 | N5 | C28 | 126.6° | 122.6° |
| C29 | N5 | H54 | 116.7° | 118.7° |
| C29 | C25 | H23 | 107.9° | 109.5° |
| N5 | C28 | C27 | 117.4° | 121.3° |
| C28 | N5 | H54 | 116.7° | 118.7° |
| C28 | C27 | H26 | 108.4° | 109.5° |
| C28 | C27 | H27 | 108.3° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.6° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.8° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H31 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.4° | 109.4° |
| H38 | C43 | H39 | 109.5° | 110.1° |
| H40 | C44 | H41 | 109.5° | 110.4° |
| H42 | C45 | H43 | 109.5° | 110.7° |
| H44 | C46 | H45 | 109.5° | 110.5° |
| H47 | C6 | H48 | 109.5° | 112.9° |
| H49 | C8 | H50 | 109.5° | 113.0° |
| H51 | C9 | H52 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C38 | C37 | H34 | 180.0° | 179.9° |
| N8 | C38 | C37 | C39 | 179.9° | 180.0° |
| N8 | C38 | C37 | C36 | 0.2° | 0.3° |
| C38 | N8 | C35 | N6 | 179.6° | 179.9° |
| C38 | N8 | C35 | N7 | 0.3° | 0.2° |
| C37 | C38 | N8 | C35 | 0.0° | 0.1° |
| C38 | C37 | C39 | C36 | 179.9° | 179.7° |
| C38 | C37 | C39 | C40 | 180.0° | 179.7° |
| C38 | C37 | C36 | N7 | 0.0° | 0.3° |
| C38 | C37 | C36 | N9 | 179.8° | 179.7° |
| C38 | C37 | C39 | H35 | 0.0° | 0.3° |
| N8 | C35 | N6 | N7 | 179.4° | 179.7° |
| N8 | C35 | N6 | C34 | 172.4° | 5.7° |
| N8 | C35 | N7 | C36 | 0.4° | 0.3° |
| C35 | N8 | C38 | H34 | 180.0° | 179.9° |
| N8 | C35 | N6 | H55 | 7.6° | 174.3° |
| C37 | C39 | C40 | H35 | 180.0° | 179.9° |
| C37 | C39 | C40 | C41 | 0.1° | 0.0° |
| C39 | C37 | C36 | N7 | 179.9° | 180.0° |
| C39 | C37 | C36 | N9 | 0.1° | 0.0° |
| C39 | C37 | C38 | H34 | 0.0° | 0.1° |
| C37 | C39 | C40 | H36 | 179.9° | 180.0° |
| C40 | C39 | C37 | C36 | 0.1° | 0.0° |
| C39 | C40 | C41 | H36 | 180.0° | 180.0° |
| C39 | C40 | C41 | N9 | 0.1° | 0.1° |
| C39 | C40 | C41 | O6 | 180.0° | 180.0° |
| C37 | C36 | N7 | C35 | 0.2° | 0.0° |
| C37 | C36 | N7 | N9 | 179.9° | 180.0° |
| C37 | C36 | N9 | C41 | 0.2° | 0.1° |
| C37 | C36 | N9 | C42 | 179.5° | 180.0° |
| C36 | C37 | C38 | H34 | 179.8° | 179.8° |
| C36 | C37 | C39 | H35 | 179.9° | 180.0° |
| C40 | C41 | N9 | C36 | 0.3° | 0.1° |
| C40 | C41 | N9 | O6 | 179.9° | 180.0° |
| C40 | C41 | N9 | C42 | 179.5° | 180.0° |
| C41 | C40 | C39 | H35 | 179.9° | 179.9° |
| C35 | N6 | C34 | H55 | 180.0° | 180.0° |
| N6 | C35 | N7 | C36 | 179.8° | 180.0° |
| C35 | N6 | C34 | C33 | 25.9° | 25.2° |
| C35 | N6 | C34 | C2 | 154.3° | 154.8° |
| N7 | C35 | N6 | C34 | 8.2° | 174.0° |
| C35 | N7 | C36 | N9 | 179.9° | 180.0° |
| N7 | C35 | N6 | H55 | 171.8° | 6.0° |
| N6 | C34 | C33 | C2 | 179.7° | 180.0° |
| N6 | C34 | C2 | C1 | 0.1° | 0.0° |
| N6 | C34 | C33 | C32 | 179.7° | 180.0° |
| N6 | C34 | C2 | C3 | 179.6° | 179.7° |
| N6 | C34 | C33 | H33 | 0.3° | 0.3° |
| N7 | C36 | N9 | C41 | 179.9° | 179.9° |
| N7 | C36 | N9 | C42 | 0.7° | 0.0° |
| C36 | N9 | C41 | C42 | 179.2° | 179.9° |
| C36 | N9 | C41 | O6 | 179.9° | 179.9° |
| C36 | N9 | C42 | C46 | 116.0° | 113.8° |
| C36 | N9 | C42 | C43 | 125.3° | 129.0° |
| C36 | N9 | C42 | H37 | 4.2° | 7.7° |
| C41 | N9 | C42 | C46 | 63.2° | 66.1° |
| C41 | N9 | C42 | C43 | 55.5° | 51.1° |
| N9 | C41 | C40 | H36 | 179.9° | 179.9° |
| C41 | N9 | C42 | H37 | 176.6° | 172.4° |
| O6 | C41 | N9 | C42 | 0.6° | 0.1° |
| O6 | C41 | C40 | H36 | 0.0° | 0.0° |
| C33 | C34 | C2 | C1 | 179.8° | 180.0° |
| C34 | C33 | C32 | H33 | 180.0° | 179.7° |
| C33 | C34 | C2 | C3 | 0.2° | 0.3° |
| C34 | C33 | C32 | C4 | 0.3° | 0.3° |
| C34 | C33 | C32 | H32 | 179.7° | 180.0° |
| C33 | C34 | N6 | H55 | 154.1° | 154.8° |
| C34 | C2 | C1 | C3 | 179.6° | 179.7° |
| C2 | C34 | C33 | C32 | 0.0° | 0.0° |
| C34 | C2 | C3 | C4 | 0.0° | 0.3° |
| C34 | C2 | C1 | H1 | 89.8° | 90.3° |
| C34 | C2 | C1 | H2 | 150.2° | 29.8° |
| C34 | C2 | C1 | H3 | 30.2° | 149.7° |
| C34 | C2 | C3 | H28 | 180.0° | 179.7° |
| C2 | C34 | C33 | H33 | 180.0° | 179.7° |
| C2 | C34 | N6 | H55 | 25.7° | 25.2° |
| N9 | C42 | C46 | C43 | 126.2° | 119.2° |
| N9 | C42 | C46 | H37 | 120.5° | 121.5° |
| N9 | C42 | C46 | C45 | 162.9° | 95.7° |
| N9 | C42 | C43 | H37 | 121.5° | 121.3° |
| N9 | C42 | C43 | C44 | 161.5° | 119.4° |
| N9 | C42 | C43 | H38 | 42.3° | 0.0° |
| N9 | C42 | C43 | H39 | 79.3° | 121.4° |
| N9 | C42 | C46 | H44 | 77.9° | 145.7° |
| N9 | C42 | C46 | H45 | 43.7° | 23.0° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H28 | 0.4° | 0.0° |
| C33 | C32 | C4 | H32 | 180.0° | 179.6° |
| C33 | C32 | C4 | C3 | 0.4° | 0.3° |
| C33 | C32 | C4 | S1 | 179.8° | 179.7° |
| C2 | C3 | C4 | C32 | 0.3° | 0.0° |
| C2 | C3 | C4 | H28 | 180.0° | 180.0° |
| C2 | C3 | C4 | S1 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 89.8° | 90.0° |
| C3 | C2 | C1 | H2 | 30.2° | 149.9° |
| C3 | C2 | C1 | H3 | 150.2° | 30.0° |
| C42 | C46 | C45 | H44 | 119.2° | 118.6° |
| C42 | C46 | C45 | H45 | 119.2° | 118.7° |
| C46 | C42 | C43 | H37 | 113.2° | 119.4° |
| C42 | C46 | C45 | C44 | 23.5° | 37.9° |
| C46 | C42 | C43 | C44 | 36.2° | 0.0° |
| C46 | C42 | C43 | H38 | 83.0° | 119.3° |
| C46 | C42 | C43 | H39 | 155.4° | 119.3° |
| C42 | C46 | C45 | H42 | 96.1° | 80.4° |
| C42 | C46 | C45 | H43 | 143.1° | 156.3° |
| C42 | C46 | H44 | H45 | 122.3° | 122.6° |
| C45 | C46 | C42 | C43 | 36.7° | 23.6° |
| C46 | C45 | C44 | H42 | 119.6° | 118.3° |
| C46 | C45 | C44 | H43 | 119.6° | 118.5° |
| C46 | C45 | C44 | C43 | 0.7° | 37.9° |
| C45 | C46 | C42 | H37 | 76.6° | 142.9° |
| C46 | C45 | C44 | H40 | 120.3° | 156.6° |
| C46 | C45 | C44 | H41 | 119.0° | 80.8° |
| C46 | C45 | H42 | H43 | 121.1° | 123.4° |
| C45 | C46 | H44 | H45 | 122.3° | 122.6° |
| C42 | C43 | C44 | C45 | 22.4° | 23.6° |
| C42 | C43 | C44 | H38 | 119.2° | 119.3° |
| C42 | C43 | C44 | H39 | 119.2° | 119.2° |
| C42 | C43 | H38 | H39 | 122.2° | 121.4° |
| C42 | C43 | C44 | H40 | 97.2° | 142.4° |
| C42 | C43 | C44 | H41 | 142.1° | 95.2° |
| C43 | C42 | C46 | H44 | 155.9° | 95.1° |
| C43 | C42 | C46 | H45 | 82.5° | 142.3° |
| C32 | C4 | C3 | S1 | 179.8° | 180.0° |
| C32 | C4 | S1 | O5 | 49.3° | 153.9° |
| C32 | C4 | S1 | O1 | 179.2° | 26.1° |
| C32 | C4 | S1 | C5 | 65.9° | 90.1° |
| C32 | C4 | C3 | H28 | 179.7° | 179.9° |
| C4 | C32 | C33 | H33 | 179.7° | 180.0° |
| C3 | C4 | S1 | O5 | 131.0° | 26.1° |
| C3 | C4 | S1 | O1 | 1.0° | 153.9° |
| C3 | C4 | S1 | C5 | 113.9° | 90.0° |
| C3 | C4 | C32 | H32 | 179.6° | 180.0° |
| C4 | S1 | O5 | O1 | 124.2° | 116.7° |
| C4 | S1 | O5 | C5 | 111.5° | 111.7° |
| C4 | S1 | O1 | C5 | 111.3° | 111.8° |
| C4 | S1 | C5 | C8 | 168.7° | 180.0° |
| C4 | S1 | C5 | C6 | 91.7° | 82.4° |
| S1 | C4 | C3 | H28 | 0.1° | 0.0° |
| S1 | C4 | C32 | H32 | 0.2° | 0.1° |
| C4 | S1 | C5 | H46 | 37.4° | 48.8° |
| O5 | S1 | O1 | C5 | 124.4° | 131.5° |
| O5 | S1 | C5 | C8 | 53.5° | 68.4° |
| O5 | S1 | C5 | C6 | 153.1° | 166.0° |
| O5 | S1 | C5 | H46 | 77.9° | 62.9° |
| C45 | C44 | C43 | H40 | 119.6° | 118.7° |
| C45 | C44 | C43 | H41 | 119.7° | 118.8° |
| C45 | C44 | C43 | H38 | 96.8° | 95.7° |
| C45 | C44 | C43 | H39 | 141.6° | 142.9° |
| C45 | C44 | H40 | H41 | 121.0° | 122.7° |
| C44 | C45 | H42 | H43 | 121.1° | 123.2° |
| C44 | C45 | C46 | H44 | 142.7° | 80.7° |
| C44 | C45 | C46 | H45 | 95.7° | 156.7° |
| C44 | C43 | C42 | H37 | 77.0° | 119.3° |
| C44 | C43 | H38 | H39 | 122.3° | 121.5° |
| C43 | C44 | H40 | H41 | 121.0° | 122.5° |
| C43 | C44 | C45 | H42 | 119.0° | 80.4° |
| C43 | C44 | C45 | H43 | 120.3° | 156.5° |
| O1 | S1 | C5 | C8 | 76.5° | 68.3° |
| O1 | S1 | C5 | C6 | 23.1° | 29.2° |
| O1 | S1 | C5 | H46 | 152.2° | 160.4° |
| S1 | C5 | C8 | C6 | 113.2° | 114.6° |
| S1 | C5 | C8 | H46 | 129.6° | 130.9° |
| S1 | C5 | C6 | H46 | 127.2° | 130.8° |
| S1 | C5 | C8 | C7 | 126.9° | 139.7° |
| S1 | C5 | C6 | C7 | 129.4° | 139.7° |
| S1 | C5 | C6 | H47 | 114.1° | 105.8° |
| S1 | C5 | C6 | H48 | 13.0° | 25.2° |
| S1 | C5 | C8 | H49 | 10.5° | 25.2° |
| S1 | C5 | C8 | H50 | 116.7° | 105.8° |
| C8 | C5 | C6 | H46 | 117.1° | 114.6° |
| C5 | C8 | C7 | H49 | 116.4° | 114.5° |
| C5 | C8 | C7 | H50 | 116.4° | 114.5° |
| C8 | C5 | C6 | C7 | 13.8° | 25.1° |
| C5 | C8 | C7 | C9 | 128.7° | 140.0° |
| C5 | C8 | C7 | C12 | 102.4° | 89.6° |
| C8 | C5 | C6 | H47 | 130.2° | 139.7° |
| C8 | C5 | C6 | H48 | 102.7° | 89.3° |
| C5 | C8 | H49 | H50 | 129.7° | 131.3° |
| C5 | C6 | C7 | H47 | 116.4° | 114.6° |
| C5 | C6 | C7 | H48 | 116.4° | 114.6° |
| C5 | C6 | C7 | C9 | 130.5° | 139.9° |
| C5 | C6 | C7 | C12 | 102.6° | 89.5° |
| C5 | C6 | H47 | H48 | 129.6° | 131.4° |
| C6 | C5 | C8 | H49 | 102.6° | 89.4° |
| C6 | C5 | C8 | H50 | 130.1° | 139.6° |
| C8 | C7 | C6 | C9 | 116.8° | 114.7° |
| C8 | C7 | C6 | C12 | 116.3° | 114.7° |
| C8 | C7 | C9 | C12 | 131.1° | 130.9° |
| C8 | C7 | C9 | C10 | 163.5° | 77.0° |
| C8 | C7 | C12 | C11 | 100.4° | 77.0° |
| C8 | C7 | C12 | H8 | 19.4° | 163.1° |
| C8 | C7 | C12 | H9 | 139.7° | 42.8° |
| C7 | C8 | C5 | H46 | 103.4° | 89.5° |
| C8 | C7 | C6 | H47 | 130.1° | 139.8° |
| C8 | C7 | C6 | H48 | 102.8° | 89.4° |
| C7 | C8 | H49 | H50 | 129.6° | 131.4° |
| C8 | C7 | C9 | H51 | 76.9° | 42.8° |
| C8 | C7 | C9 | H52 | 43.9° | 163.1° |
| C6 | C7 | C9 | C12 | 129.0° | 131.1° |
| C6 | C7 | C9 | C10 | 96.6° | 175.1° |
| C6 | C7 | C12 | C11 | 159.6° | 175.1° |
| C6 | C7 | C12 | H8 | 80.6° | 65.1° |
| C6 | C7 | C12 | H9 | 39.7° | 55.2° |
| C7 | C6 | C5 | H46 | 103.4° | 89.5° |
| C7 | C6 | H47 | H48 | 129.6° | 131.2° |
| C6 | C7 | C8 | H49 | 102.8° | 89.3° |
| C6 | C7 | C8 | H50 | 130.0° | 139.7° |
| C6 | C7 | C9 | H51 | 23.0° | 55.3° |
| C6 | C7 | C9 | H52 | 143.8° | 65.1° |
| C7 | C9 | C10 | H51 | 119.6° | 119.8° |
| C7 | C9 | C10 | H52 | 119.6° | 119.9° |
| C9 | C7 | C12 | C11 | 31.1° | 53.8° |
| C7 | C9 | C10 | N1 | 72.8° | 56.9° |
| C7 | C9 | C10 | H4 | 47.3° | 176.9° |
| C7 | C9 | C10 | H5 | 167.1° | 63.1° |
| C9 | C7 | C12 | H8 | 150.9° | 66.0° |
| C9 | C7 | C12 | H9 | 88.8° | 173.7° |
| C9 | C7 | C6 | H47 | 113.1° | 105.5° |
| C9 | C7 | C6 | H48 | 14.1° | 25.3° |
| C9 | C7 | C8 | H49 | 12.3° | 25.5° |
| C9 | C7 | C8 | H50 | 115.0° | 105.5° |
| C7 | C9 | H51 | H52 | 121.2° | 120.3° |
| C12 | C7 | C9 | C10 | 32.4° | 53.9° |
| C7 | C12 | C11 | H8 | 119.8° | 119.8° |
| C7 | C12 | C11 | H9 | 119.8° | 120.0° |
| C7 | C12 | C11 | N1 | 67.8° | 56.9° |
| C7 | C12 | C11 | H6 | 52.5° | 63.1° |
| C7 | C12 | C11 | H7 | 171.9° | 176.9° |
| C7 | C12 | H8 | H9 | 120.4° | 120.3° |
| C12 | C7 | C6 | H47 | 13.8° | 25.1° |
| C12 | C7 | C6 | H48 | 140.9° | 155.9° |
| C12 | C7 | C8 | H49 | 141.2° | 155.9° |
| C12 | C7 | C8 | H50 | 14.0° | 24.9° |
| C12 | C7 | C9 | H51 | 152.0° | 173.7° |
| C12 | C7 | C9 | H52 | 87.2° | 66.0° |
| C9 | C10 | N1 | H4 | 120.1° | 119.9° |
| C9 | C10 | N1 | H5 | 120.1° | 120.0° |
| C9 | C10 | N1 | C11 | 38.2° | 63.5° |
| C9 | C10 | N1 | C13 | 85.8° | 172.2° |
| C9 | C10 | H4 | H5 | 119.6° | 120.0° |
| C10 | C9 | H51 | H52 | 121.2° | 120.2° |
| C12 | C11 | N1 | C10 | 30.1° | 63.5° |
| C12 | C11 | N1 | H6 | 120.3° | 120.0° |
| C12 | C11 | N1 | H7 | 120.3° | 120.0° |
| C12 | C11 | N1 | C13 | 154.1° | 172.2° |
| C12 | C11 | H6 | H7 | 119.1° | 120.0° |
| C11 | C12 | H8 | H9 | 120.4° | 120.2° |
| C10 | N1 | C11 | C13 | 124.1° | 124.3° |
| C10 | N1 | C13 | C14 | 108.9° | 170.0° |
| N1 | C10 | H4 | H5 | 119.6° | 120.1° |
| C10 | N1 | C11 | H6 | 90.2° | 56.5° |
| C10 | N1 | C11 | H7 | 150.4° | 176.5° |
| C10 | N1 | C13 | H10 | 11.8° | 70.0° |
| C10 | N1 | C13 | H11 | 130.4° | 50.0° |
| N1 | C10 | C9 | H51 | 167.6° | 176.8° |
| N1 | C10 | C9 | H52 | 46.8° | 62.9° |
| C11 | N1 | C13 | C14 | 127.8° | 65.5° |
| C11 | N1 | C10 | H4 | 81.9° | 176.5° |
| C11 | N1 | C10 | H5 | 158.3° | 56.5° |
| N1 | C11 | H6 | H7 | 119.1° | 120.0° |
| N1 | C11 | C12 | H8 | 172.4° | 63.0° |
| N1 | C11 | C12 | H9 | 52.1° | 176.8° |
| C11 | N1 | C13 | H10 | 111.5° | 54.5° |
| C11 | N1 | C13 | H11 | 7.1° | 174.5° |
| N1 | C13 | C14 | H10 | 120.7° | 120.0° |
| N1 | C13 | C14 | H11 | 120.7° | 119.9° |
| N1 | C13 | C14 | C18 | 24.1° | 175.0° |
| N1 | C13 | C14 | C15 | 149.3° | 65.3° |
| C13 | N1 | C10 | H4 | 154.1° | 52.3° |
| C13 | N1 | C10 | H5 | 34.3° | 67.8° |
| C13 | N1 | C11 | H6 | 33.9° | 67.8° |
| C13 | N1 | C11 | H7 | 85.6° | 52.2° |
| N1 | C13 | H10 | H11 | 117.7° | 120.0° |
| N1 | C13 | C14 | H12 | 94.8° | 55.0° |
| C13 | C14 | C18 | C15 | 125.1° | 119.9° |
| C13 | C14 | C18 | H12 | 118.9° | 120.1° |
| C13 | C14 | C15 | H12 | 115.9° | 120.3° |
| C13 | C14 | C18 | C17 | 107.9° | 62.3° |
| C13 | C14 | C15 | C16 | 170.1° | 62.2° |
| C14 | C13 | H10 | H11 | 117.7° | 120.0° |
| C13 | C14 | C15 | H13 | 69.8° | 177.8° |
| C13 | C14 | C15 | H14 | 49.9° | 57.7° |
| C13 | C14 | C18 | H19 | 12.7° | 57.7° |
| C13 | C14 | C18 | H20 | 131.4° | 177.8° |
| C18 | C14 | C15 | H12 | 115.9° | 119.9° |
| C14 | C18 | C17 | H19 | 120.6° | 120.0° |
| C14 | C18 | C17 | H20 | 120.6° | 120.0° |
| C18 | C14 | C15 | C16 | 41.9° | 57.7° |
| C14 | C18 | C17 | N2 | 55.1° | 59.2° |
| C18 | C14 | C13 | H10 | 144.8° | 55.0° |
| C18 | C14 | C13 | H11 | 96.6° | 65.0° |
| C18 | C14 | C15 | H13 | 162.1° | 62.3° |
| C18 | C14 | C15 | H14 | 78.2° | 177.6° |
| C14 | C18 | C17 | H17 | 65.1° | 60.8° |
| C14 | C18 | C17 | H18 | 175.5° | 179.2° |
| C14 | C18 | H19 | H20 | 118.1° | 120.1° |
| C15 | C14 | C18 | C17 | 17.2° | 57.7° |
| C14 | C15 | C16 | H13 | 120.1° | 120.0° |
| C14 | C15 | C16 | H14 | 120.1° | 119.9° |
| C14 | C15 | C16 | N2 | 67.7° | 59.2° |
| C15 | C14 | C13 | H10 | 89.9° | 174.7° |
| C15 | C14 | C13 | H11 | 28.6° | 54.6° |
| C14 | C15 | H13 | H14 | 119.6° | 120.0° |
| C14 | C15 | C16 | H15 | 52.2° | 179.2° |
| C14 | C15 | C16 | H16 | 172.4° | 60.8° |
| C15 | C14 | C18 | H19 | 137.8° | 177.6° |
| C15 | C14 | C18 | H20 | 103.5° | 62.3° |
| C18 | C17 | N2 | H17 | 120.3° | 120.0° |
| C18 | C17 | N2 | H18 | 120.3° | 120.0° |
| C18 | C17 | N2 | C16 | 29.9° | 61.7° |
| C18 | C17 | N2 | C19 | 155.4° | 174.2° |
| C17 | C18 | C14 | H12 | 133.2° | 177.6° |
| C18 | C17 | H17 | H18 | 119.0° | 120.0° |
| C17 | C18 | H19 | H20 | 118.0° | 120.1° |
| C15 | C16 | N2 | C17 | 28.7° | 61.8° |
| C15 | C16 | N2 | H15 | 119.9° | 120.0° |
| C15 | C16 | N2 | H16 | 119.9° | 120.0° |
| C15 | C16 | N2 | C19 | 146.6° | 174.2° |
| C16 | C15 | C14 | H12 | 74.0° | 177.5° |
| C16 | C15 | H13 | H14 | 119.6° | 120.1° |
| C15 | C16 | H15 | H16 | 120.2° | 120.0° |
| C17 | N2 | C16 | C19 | 175.2° | 124.1° |
| C17 | N2 | C19 | C20 | 10.7° | 64.2° |
| C17 | N2 | C19 | C31 | 172.3° | 115.6° |
| C17 | N2 | C16 | H15 | 91.3° | 178.2° |
| C17 | N2 | C16 | H16 | 148.6° | 58.2° |
| N2 | C17 | H17 | H18 | 119.1° | 120.0° |
| N2 | C17 | C18 | H19 | 175.8° | 179.1° |
| N2 | C17 | C18 | H20 | 65.5° | 60.8° |
| C16 | N2 | C19 | C20 | 164.0° | 59.9° |
| C16 | N2 | C19 | C31 | 13.0° | 120.2° |
| N2 | C16 | C15 | H13 | 172.2° | 60.8° |
| N2 | C16 | C15 | H14 | 52.5° | 179.1° |
| N2 | C16 | H15 | H16 | 120.2° | 120.0° |
| C16 | N2 | C17 | H17 | 90.4° | 58.2° |
| C16 | N2 | C17 | H18 | 150.2° | 178.3° |
| N2 | C19 | C20 | C31 | 176.9° | 179.8° |
| N2 | C19 | C20 | C21 | 178.3° | 179.8° |
| N2 | C19 | C31 | F1 | 2.1° | 0.2° |
| N2 | C19 | C31 | C23 | 178.2° | 179.8° |
| C19 | N2 | C16 | H15 | 93.5° | 54.2° |
| C19 | N2 | C16 | H16 | 26.6° | 65.8° |
| C19 | N2 | C17 | H17 | 84.3° | 65.9° |
| C19 | N2 | C17 | H18 | 35.1° | 54.2° |
| N2 | C19 | C20 | H21 | 1.6° | 0.3° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C31 | F1 | 179.2° | 180.0° |
| C20 | C19 | C31 | C23 | 1.1° | 0.1° |
| C19 | C20 | C21 | C22 | 0.9° | 0.0° |
| C19 | C20 | C21 | H22 | 179.1° | 180.0° |
| C31 | C19 | C20 | C21 | 1.4° | 0.1° |
| C19 | C31 | F1 | C23 | 179.7° | 179.9° |
| C19 | C31 | C23 | C22 | 0.4° | 0.0° |
| C19 | C31 | C23 | N3 | 179.6° | 180.0° |
| C31 | C19 | C20 | H21 | 178.6° | 179.9° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C20 | C21 | C22 | N4 | 179.9° | 180.0° |
| F1 | C31 | C23 | C22 | 179.9° | 179.9° |
| F1 | C31 | C23 | N3 | 0.1° | 0.1° |
| C31 | C23 | C22 | C21 | 0.0° | 0.1° |
| C31 | C23 | C22 | N3 | 180.0° | 180.0° |
| C31 | C23 | C22 | N4 | 179.9° | 180.0° |
| C31 | C23 | N3 | C30 | 0.3° | 0.1° |
| C31 | C23 | N3 | C24 | 179.7° | 180.0° |
| C21 | C22 | C23 | N4 | 179.9° | 179.9° |
| C21 | C22 | C23 | N3 | 180.0° | 180.0° |
| C21 | C22 | N4 | C24 | 179.6° | 179.9° |
| C21 | C22 | N4 | C25 | 0.1° | 0.1° |
| C22 | C21 | C20 | H21 | 179.0° | 180.0° |
| C22 | C23 | N3 | C30 | 179.7° | 179.9° |
| C22 | C23 | N3 | C24 | 0.3° | 0.0° |
| C23 | C22 | N4 | C24 | 0.5° | 0.0° |
| C23 | C22 | N4 | C25 | 179.9° | 179.9° |
| C23 | C22 | C21 | H22 | 179.8° | 179.9° |
| N3 | C23 | C22 | N4 | 0.1° | 0.0° |
| C23 | N3 | C30 | C24 | 179.3° | 179.9° |
| C23 | N3 | C24 | N4 | 0.6° | 0.0° |
| C23 | N3 | C24 | O4 | 179.8° | 179.9° |
| C23 | N3 | C30 | H29 | 180.0° | 90.0° |
| C23 | N3 | C30 | H30 | 60.0° | 150.0° |
| C23 | N3 | C30 | H31 | 60.0° | 30.0° |
| C22 | N4 | C24 | N3 | 0.7° | 0.0° |
| C22 | N4 | C24 | C25 | 179.5° | 179.9° |
| C22 | N4 | C25 | C26 | 30.4° | 120.1° |
| C22 | N4 | C25 | C29 | 93.8° | 120.2° |
| C22 | N4 | C24 | O4 | 179.9° | 179.9° |
| N4 | C22 | C21 | H22 | 0.1° | 0.0° |
| C22 | N4 | C25 | H23 | 149.2° | 0.1° |
| C30 | N3 | C24 | N4 | 180.0° | 179.9° |
| C30 | N3 | C24 | O4 | 0.8° | 0.0° |
| N3 | C30 | H29 | H30 | 120.0° | 120.0° |
| N3 | C30 | H29 | H31 | 120.0° | 120.0° |
| N3 | C30 | H30 | H31 | 120.0° | 120.0° |
| N3 | C24 | N4 | O4 | 179.2° | 179.9° |
| N3 | C24 | N4 | C25 | 179.9° | 179.9° |
| C24 | N3 | C30 | H29 | 0.7° | 90.0° |
| C24 | N3 | C30 | H30 | 120.7° | 29.9° |
| C24 | N3 | C30 | H31 | 119.3° | 149.9° |
| C24 | N4 | C25 | C26 | 150.2° | 59.7° |
| C24 | N4 | C25 | C29 | 85.6° | 60.0° |
| C24 | N4 | C25 | H23 | 31.4° | 179.9° |
| N4 | C25 | C26 | C29 | 122.4° | 120.0° |
| N4 | C25 | C26 | H23 | 119.2° | 120.2° |
| N4 | C25 | C26 | C27 | 169.9° | 175.5° |
| N4 | C25 | C29 | O2 | 26.2° | 30.9° |
| N4 | C25 | C29 | N5 | 154.3° | 149.0° |
| N4 | C25 | C29 | H23 | 117.3° | 120.1° |
| C25 | N4 | C24 | O4 | 0.7° | 0.2° |
| N4 | C25 | C26 | H24 | 49.4° | 55.9° |
| N4 | C25 | C26 | H25 | 69.7° | 64.7° |
| C25 | C26 | C27 | H24 | 120.5° | 119.7° |
| C25 | C26 | C27 | H25 | 120.5° | 119.7° |
| C26 | C25 | C29 | O2 | 150.8° | 150.9° |
| C26 | C25 | C29 | N5 | 29.8° | 29.1° |
| C26 | C25 | C29 | H23 | 118.2° | 119.9° |
| C25 | C26 | C27 | C28 | 46.2° | 55.6° |
| C25 | C26 | H24 | H25 | 118.5° | 120.5° |
| C25 | C26 | C27 | H26 | 166.9° | 175.5° |
| C25 | C26 | C27 | H27 | 74.4° | 64.4° |
| C26 | C27 | C28 | O3 | 154.0° | 150.9° |
| C27 | C26 | C25 | C29 | 47.4° | 55.6° |
| C26 | C27 | C28 | N5 | 26.0° | 29.1° |
| C26 | C27 | C28 | H26 | 120.6° | 119.9° |
| C26 | C27 | C28 | H27 | 120.7° | 120.0° |
| C27 | C26 | C25 | H23 | 70.9° | 64.3° |
| C27 | C26 | H24 | H25 | 118.5° | 120.5° |
| C26 | C27 | H26 | H27 | 118.0° | 120.2° |
| O2 | C29 | N5 | C25 | 179.5° | 180.0° |
| O2 | C29 | N5 | C28 | 170.3° | 179.4° |
| O2 | C29 | C25 | H23 | 91.0° | 89.2° |
| O2 | C29 | N5 | H54 | 9.7° | 0.6° |
| O3 | C28 | N5 | C29 | 172.1° | 179.4° |
| O3 | C28 | N5 | C27 | 179.9° | 180.0° |
| O3 | C28 | C27 | H26 | 33.4° | 30.9° |
| O3 | C28 | C27 | H27 | 85.3° | 89.1° |
| O3 | C28 | N5 | H54 | 7.9° | 0.5° |
| C29 | N5 | C28 | H54 | 180.0° | 180.0° |
| C29 | N5 | C28 | C27 | 7.9° | 0.6° |
| N5 | C29 | C25 | H23 | 88.4° | 90.8° |
| C25 | C29 | N5 | C28 | 10.2° | 0.6° |
| C29 | C25 | C26 | H24 | 73.1° | 64.1° |
| C29 | C25 | C26 | H25 | 167.9° | 175.3° |
| C25 | C29 | N5 | H54 | 169.8° | 179.5° |
| N5 | C28 | C27 | H26 | 146.7° | 149.1° |
| N5 | C28 | C27 | H27 | 94.7° | 90.9° |
| C28 | C27 | C26 | H24 | 74.3° | 64.1° |
| C28 | C27 | C26 | H25 | 166.7° | 175.3° |
| C28 | C27 | H26 | H27 | 118.0° | 120.1° |
| C27 | C28 | N5 | H54 | 172.1° | 179.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | C9 | H51 | 72.3° | 63.3° |
| H4 | C10 | C9 | H52 | 166.9° | 57.0° |
| H5 | C10 | C9 | H51 | 47.5° | 56.8° |
| H5 | C10 | C9 | H52 | 73.3° | 177.0° |
| H6 | C11 | C12 | H8 | 67.4° | 177.0° |
| H6 | C11 | C12 | H9 | 172.3° | 56.8° |
| H7 | C11 | C12 | H8 | 52.1° | 57.1° |
| H7 | C11 | C12 | H9 | 68.2° | 63.1° |
| H10 | C13 | C14 | H12 | 26.0° | 65.0° |
| H11 | C13 | C14 | H12 | 144.5° | 174.9° |
| H12 | C14 | C15 | H13 | 46.1° | 57.5° |
| H12 | C14 | C15 | H14 | 165.8° | 62.5° |
| H12 | C14 | C18 | H19 | 106.2° | 62.4° |
| H12 | C14 | C18 | H20 | 12.5° | 57.7° |
| H13 | C15 | C16 | H15 | 67.9° | 59.2° |
| H13 | C15 | C16 | H16 | 52.2° | 179.2° |
| H14 | C15 | C16 | H15 | 172.4° | 60.9° |
| H14 | C15 | C16 | H16 | 67.5° | 59.1° |
| H17 | C17 | C18 | H19 | 55.5° | 59.2° |
| H17 | C17 | C18 | H20 | 174.2° | 179.2° |
| H18 | C17 | C18 | H19 | 63.9° | 60.8° |
| H18 | C17 | C18 | H20 | 54.8° | 59.2° |
| H21 | C20 | C21 | H22 | 1.0° | 0.0° |
| H23 | C25 | C26 | H24 | 168.6° | 176.0° |
| H23 | C25 | C26 | H25 | 49.5° | 55.4° |
| H24 | C26 | C27 | H26 | 46.4° | 55.8° |
| H24 | C26 | C27 | H27 | 165.1° | 175.9° |
| H25 | C26 | C27 | H26 | 72.7° | 64.8° |
| H25 | C26 | C27 | H27 | 46.0° | 55.3° |
| H29 | C30 | H30 | H31 | 120.0° | 120.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.3° |
| H35 | C39 | C40 | H36 | 0.1° | 0.1° |
| H37 | C42 | C43 | H38 | 163.8° | 121.4° |
| H37 | C42 | C43 | H39 | 42.2° | 0.0° |
| H37 | C42 | C46 | H44 | 42.6° | 24.2° |
| H37 | C42 | C46 | H45 | 164.3° | 98.4° |
| H38 | C43 | C44 | H40 | 143.6° | 23.0° |
| H38 | C43 | C44 | H41 | 22.9° | 145.5° |
| H39 | C43 | C44 | H40 | 22.0° | 98.4° |
| H39 | C43 | C44 | H41 | 98.7° | 24.0° |
| H40 | C44 | C45 | H42 | 0.7° | 38.3° |
| H40 | C44 | C45 | H43 | 120.0° | 84.9° |
| H41 | C44 | C45 | H42 | 121.4° | 160.9° |
| H41 | C44 | C45 | H43 | 0.7° | 37.7° |
| H42 | C45 | C46 | H44 | 23.1° | 160.9° |
| H42 | C45 | C46 | H45 | 144.7° | 38.3° |
| H43 | C45 | C46 | H44 | 97.7° | 37.7° |
| H43 | C45 | C46 | H45 | 23.9° | 85.0° |
| H46 | C5 | C6 | H47 | 13.1° | 25.0° |
| H46 | C5 | C6 | H48 | 140.2° | 156.0° |
| H46 | C5 | C8 | H49 | 140.2° | 156.1° |
| H46 | C5 | C8 | H50 | 12.9° | 25.0° |
