87A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.53Å | 1.48Å | |
| C20 | C18 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | F1 | sing | 1.40Å | 1.36Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| O7 | C43 | sing | 1.36Å | 1.35Å | |
| C42 | C43 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| O4 | C17 | doub | 1.21Å | 1.23Å | |
| C43 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | N4 | sing | 1.35Å | 1.34Å | |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| N7 | N8 | doub | 1.28Å | 1.35Å | Aromatic |
| N7 | C37 | sing | 1.33Å | 1.34Å | Aromatic |
| C38 | C37 | sing | 1.48Å | 1.49Å | |
| C38 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| N8 | C44 | sing | 1.32Å | 1.33Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C16 | sing | 1.47Å | 1.45Å | |
| C37 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C21 | sing | 1.53Å | 1.54Å | |
| C44 | N9 | sing | 1.39Å | 1.33Å | |
| C44 | C35 | doub | 1.40Å | 1.43Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C35 | N6 | sing | 1.40Å | 1.39Å | |
| C34 | N6 | sing | 1.47Å | 1.47Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| N6 | C45 | sing | 1.47Å | 1.47Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| O2 | C13 | sing | 1.43Å | 1.42Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.55Å | 1.52Å | |
| C33 | N5 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| C45 | C46 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.55Å | 1.51Å | |
| N5 | C46 | sing | 1.47Å | 1.46Å | |
| N5 | C32 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C10 | O1 | doub | 1.21Å | 1.23Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| C31 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C47 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O6 | sing | 1.36Å | 1.37Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| O6 | C27 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C25 | sing | 1.36Å | 1.37Å | |
| O5 | C26 | sing | 1.43Å | 1.44Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C49 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C4 | C2 | doub | 1.35Å | 1.37Å | Aromatic |
| S1 | C3 | sing | 1.71Å | 1.69Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.31Å | 1.37Å | Aromatic |
| C3 | N1 | doub | 1.29Å | 1.29Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C41 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.08Å | 1.08Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.08Å | 1.08Å | |
| C42 | H51 | sing | 1.08Å | 1.08Å | |
| O7 | H52 | sing | 0.97Å | 0.95Å | |
| N9 | H53 | sing | 0.97Å | 1.00Å | |
| N9 | H54 | sing | 0.97Å | 1.00Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C46 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | H59 | sing | 1.08Å | 1.08Å | |
| C48 | H60 | sing | 1.08Å | 1.08Å | |
| C49 | H61 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C18 | 60.3° | 60.0° |
| C20 | C19 | C18 | 60.3° | 60.0° |
| C20 | C19 | H13 | 120.0° | 117.5° |
| C20 | C19 | H14 | 120.0° | 117.6° |
| C19 | C20 | H39 | 119.9° | 117.5° |
| C19 | C20 | H40 | 119.9° | 117.5° |
| C20 | C18 | C19 | 59.3° | 60.0° |
| C20 | C18 | F1 | 121.0° | 117.5° |
| C20 | C18 | C17 | 119.4° | 117.5° |
| C18 | C20 | H39 | 120.0° | 117.5° |
| C18 | C20 | H40 | 119.9° | 117.5° |
| C19 | C18 | F1 | 119.2° | 117.5° |
| C19 | C18 | C17 | 120.3° | 117.5° |
| C18 | C19 | H13 | 119.9° | 117.5° |
| C18 | C19 | H14 | 120.0° | 117.5° |
| F1 | C18 | C17 | 109.8° | 115.5° |
| C18 | C17 | O4 | 122.5° | 120.0° |
| C18 | C17 | N4 | 113.4° | 120.0° |
| O7 | C43 | C42 | 117.7° | 120.1° |
| O7 | C43 | C38 | 121.5° | 120.1° |
| C43 | O7 | H52 | 109.5° | 114.0° |
| C43 | C42 | C41 | 119.8° | 120.1° |
| C42 | C43 | C38 | 120.8° | 119.7° |
| C43 | C42 | H51 | 120.1° | 119.9° |
| C42 | C41 | C40 | 120.4° | 120.3° |
| C42 | C41 | H30 | 119.8° | 119.9° |
| C41 | C42 | H51 | 120.1° | 119.9° |
| O4 | C17 | N4 | 124.1° | 120.0° |
| C43 | C38 | C37 | 121.2° | 120.1° |
| C43 | C38 | C39 | 118.0° | 119.7° |
| C17 | N4 | C16 | 125.1° | 120.0° |
| C17 | N4 | H38 | 117.5° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.3° |
| C40 | C41 | H30 | 119.8° | 119.9° |
| C41 | C40 | H50 | 119.9° | 119.9° |
| N8 | N7 | C37 | 121.3° | 122.3° |
| N7 | N8 | C44 | 121.0° | 122.3° |
| N7 | C37 | C38 | 115.3° | 120.1° |
| N7 | C37 | C36 | 120.8° | 119.9° |
| C37 | C38 | C39 | 120.8° | 120.1° |
| C38 | C37 | C36 | 123.9° | 120.1° |
| C38 | C39 | C40 | 120.9° | 119.9° |
| C38 | C39 | H29 | 119.6° | 120.0° |
| N8 | C44 | N9 | 114.3° | 120.1° |
| N8 | C44 | C35 | 120.4° | 119.8° |
| C40 | C39 | H29 | 119.5° | 120.1° |
| C39 | C40 | H50 | 119.9° | 119.8° |
| N4 | C16 | C21 | 109.3° | 109.5° |
| N4 | C16 | C15 | 106.6° | 109.4° |
| N4 | C16 | H12 | 109.4° | 109.4° |
| C16 | N4 | H38 | 117.4° | 120.0° |
| C37 | C36 | C35 | 118.9° | 117.9° |
| C37 | C36 | H28 | 120.5° | 121.1° |
| C24 | C21 | C16 | 111.7° | 109.4° |
| C24 | C21 | C23 | 107.8° | 109.4° |
| C24 | C21 | C22 | 108.8° | 109.5° |
| C21 | C24 | H18 | 109.5° | 109.4° |
| C21 | C24 | H19 | 109.5° | 109.5° |
| C21 | C24 | H20 | 109.5° | 109.5° |
| N9 | C44 | C35 | 125.3° | 120.1° |
| C44 | N9 | H53 | 109.5° | 120.0° |
| C44 | N9 | H54 | 109.5° | 120.0° |
| C44 | C35 | C36 | 117.6° | 117.9° |
| C44 | C35 | N6 | 121.8° | 121.0° |
| C36 | C35 | N6 | 120.4° | 121.1° |
| C35 | C36 | H28 | 120.6° | 121.1° |
| C21 | C16 | C15 | 115.2° | 109.4° |
| C16 | C21 | C23 | 110.9° | 109.5° |
| C16 | C21 | C22 | 110.5° | 109.5° |
| C21 | C16 | H12 | 108.0° | 109.5° |
| C16 | C15 | O3 | 120.9° | 120.1° |
| C16 | C15 | N3 | 119.5° | 120.0° |
| C15 | C16 | H12 | 108.2° | 109.5° |
| C23 | C21 | C22 | 107.1° | 109.5° |
| C21 | C23 | H15 | 109.5° | 109.5° |
| C21 | C23 | H16 | 109.5° | 109.5° |
| C21 | C23 | H17 | 109.5° | 109.5° |
| C21 | C22 | H41 | 109.5° | 109.5° |
| C21 | C22 | H42 | 109.5° | 109.5° |
| C21 | C22 | H43 | 109.5° | 109.5° |
| C35 | N6 | C34 | 122.0° | 111.0° |
| C35 | N6 | C45 | 121.5° | 110.9° |
| N6 | C34 | C33 | 112.0° | 109.4° |
| C34 | N6 | C45 | 115.5° | 110.9° |
| N6 | C34 | H26 | 108.8° | 109.4° |
| N6 | C34 | H27 | 108.8° | 109.4° |
| C34 | C33 | N5 | 109.1° | 109.4° |
| C34 | C33 | H24 | 109.6° | 109.5° |
| C34 | C33 | H25 | 109.5° | 109.5° |
| C33 | C34 | H26 | 108.8° | 109.6° |
| C33 | C34 | H27 | 108.8° | 109.5° |
| N6 | C45 | C46 | 113.4° | 109.4° |
| N6 | C45 | H55 | 108.5° | 109.5° |
| N6 | C45 | H56 | 108.5° | 109.5° |
| O3 | C15 | N3 | 119.6° | 120.0° |
| C15 | N3 | C14 | 129.8° | 125.7° |
| C15 | N3 | C11 | 118.7° | 125.6° |
| O2 | C13 | C14 | 109.9° | 111.0° |
| O2 | C13 | C12 | 110.9° | 111.0° |
| O2 | C13 | H9 | 112.1° | 110.9° |
| C13 | O2 | H37 | 109.5° | 114.0° |
| N3 | C14 | C13 | 102.2° | 104.8° |
| C14 | N3 | C11 | 111.5° | 108.7° |
| N3 | C14 | H10 | 111.3° | 110.3° |
| N3 | C14 | H11 | 111.3° | 110.4° |
| C14 | C13 | C12 | 102.2° | 101.6° |
| C14 | C13 | H9 | 110.7° | 111.0° |
| C13 | C14 | H10 | 111.2° | 110.4° |
| C13 | C14 | H11 | 111.2° | 110.4° |
| C33 | N5 | C46 | 109.0° | 110.9° |
| C33 | N5 | C32 | 111.5° | 111.0° |
| N5 | C33 | H24 | 109.6° | 109.5° |
| N5 | C33 | H25 | 109.6° | 109.5° |
| N3 | C11 | C12 | 103.4° | 107.2° |
| N3 | C11 | C10 | 112.5° | 109.9° |
| N3 | C11 | H8 | 110.3° | 110.0° |
| C45 | C46 | N5 | 112.3° | 109.4° |
| C46 | C45 | H55 | 108.5° | 109.5° |
| C46 | C45 | H56 | 108.5° | 109.5° |
| C45 | C46 | H57 | 108.8° | 109.5° |
| C45 | C46 | H58 | 108.8° | 109.5° |
| C13 | C12 | C11 | 104.3° | 103.0° |
| C12 | C13 | H9 | 110.7° | 111.0° |
| C13 | C12 | H35 | 110.7° | 110.7° |
| C13 | C12 | H36 | 110.7° | 110.7° |
| C46 | N5 | C32 | 111.6° | 111.0° |
| N5 | C46 | H57 | 108.8° | 109.5° |
| N5 | C46 | H58 | 108.8° | 109.5° |
| N5 | C32 | C31 | 114.8° | 109.4° |
| N5 | C32 | H47 | 108.1° | 109.5° |
| N5 | C32 | H48 | 108.1° | 109.5° |
| C12 | C11 | C10 | 111.7° | 109.9° |
| C12 | C11 | H8 | 109.3° | 109.9° |
| C11 | C12 | H35 | 110.7° | 110.7° |
| C11 | C12 | H36 | 110.8° | 110.7° |
| C11 | C10 | O1 | 121.6° | 120.0° |
| C11 | C10 | N2 | 114.8° | 120.0° |
| C10 | C11 | H8 | 109.5° | 109.9° |
| C32 | C31 | C30 | 120.7° | 120.0° |
| C32 | C31 | C47 | 121.3° | 119.9° |
| C31 | C32 | H47 | 108.1° | 109.5° |
| C31 | C32 | H48 | 108.1° | 109.4° |
| O1 | C10 | N2 | 123.5° | 120.0° |
| C10 | N2 | C9 | 121.5° | 120.0° |
| C10 | N2 | H34 | 119.2° | 120.0° |
| C31 | C30 | C29 | 121.4° | 120.1° |
| C30 | C31 | C47 | 118.0° | 120.1° |
| C31 | C30 | H23 | 119.3° | 119.9° |
| C30 | C29 | C28 | 119.8° | 120.0° |
| C29 | C30 | H23 | 119.3° | 120.0° |
| C30 | C29 | H46 | 120.1° | 120.0° |
| N2 | C9 | C8 | 112.9° | 109.5° |
| N2 | C9 | H32 | 108.6° | 109.5° |
| N2 | C9 | H33 | 108.6° | 109.4° |
| C9 | N2 | H34 | 119.3° | 120.0° |
| C31 | C47 | C48 | 121.5° | 120.0° |
| C31 | C47 | H59 | 119.2° | 120.0° |
| C29 | C28 | C48 | 119.7° | 119.9° |
| C29 | C28 | O6 | 115.7° | 120.1° |
| C28 | C29 | H46 | 120.1° | 120.0° |
| C9 | C8 | C7 | 122.9° | 119.8° |
| C9 | C8 | C25 | 118.9° | 119.9° |
| C8 | C9 | H32 | 108.6° | 109.5° |
| C8 | C9 | H33 | 108.6° | 109.4° |
| C47 | C48 | C28 | 119.6° | 120.0° |
| C48 | C47 | H59 | 119.3° | 120.0° |
| C47 | C48 | H60 | 120.2° | 120.0° |
| C48 | C28 | O6 | 124.5° | 120.0° |
| C28 | C48 | H60 | 120.2° | 120.1° |
| C28 | O6 | C27 | 119.1° | 117.0° |
| C7 | C8 | C25 | 118.2° | 120.2° |
| C8 | C7 | C6 | 120.9° | 120.2° |
| C8 | C7 | H7 | 119.5° | 119.9° |
| C8 | C25 | O5 | 117.0° | 120.0° |
| C8 | C25 | C49 | 120.9° | 120.0° |
| O6 | C27 | C26 | 107.8° | 109.5° |
| O6 | C27 | H44 | 109.9° | 109.5° |
| O6 | C27 | H45 | 109.9° | 109.5° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H6 | 119.8° | 120.1° |
| C6 | C7 | H7 | 119.5° | 119.8° |
| C25 | O5 | C26 | 118.5° | 117.0° |
| O5 | C25 | C49 | 122.2° | 120.0° |
| O5 | C26 | C27 | 109.6° | 109.5° |
| O5 | C26 | H21 | 109.4° | 109.4° |
| O5 | C26 | H22 | 109.4° | 109.5° |
| C27 | C26 | H21 | 109.4° | 109.5° |
| C27 | C26 | H22 | 109.5° | 109.5° |
| C26 | C27 | H44 | 109.9° | 109.5° |
| C26 | C27 | H45 | 109.9° | 109.5° |
| C25 | C49 | C5 | 120.8° | 119.8° |
| C25 | C49 | H61 | 119.6° | 120.0° |
| C6 | C5 | C49 | 118.8° | 119.8° |
| C6 | C5 | C4 | 121.8° | 120.1° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C49 | C5 | C4 | 119.3° | 120.1° |
| C5 | C49 | H61 | 119.6° | 120.1° |
| C5 | C4 | S1 | 121.2° | 126.1° |
| C5 | C4 | C2 | 129.9° | 126.1° |
| S1 | C4 | C2 | 108.8° | 107.8° |
| C4 | S1 | C3 | 89.8° | 90.3° |
| C4 | C2 | C1 | 127.8° | 122.9° |
| C4 | C2 | N1 | 114.9° | 114.2° |
| S1 | C3 | N1 | 114.8° | 110.3° |
| S1 | C3 | H4 | 122.6° | 124.8° |
| C1 | C2 | N1 | 117.3° | 122.9° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | N1 | C3 | 109.8° | 117.3° |
| N1 | C3 | H4 | 122.6° | 124.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 110.4° |
| H13 | C19 | H14 | 109.5° | 115.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.4° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H32 | C9 | H33 | 109.5° | 109.5° |
| H35 | C12 | H36 | 109.5° | 110.8° |
| H39 | C20 | H40 | 109.5° | 115.6° |
| H41 | C22 | H42 | 109.5° | 109.4° |
| H41 | C22 | H43 | 109.5° | 109.5° |
| H42 | C22 | H43 | 109.4° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.4° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| H53 | N9 | H54 | 109.5° | 119.9° |
| H55 | C45 | H56 | 109.5° | 109.5° |
| H57 | C46 | H58 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C18 | H39 | 109.6° | 107.5° |
| C19 | C20 | C18 | H40 | 109.6° | 107.5° |
| C20 | C19 | C18 | H13 | 109.6° | 107.5° |
| C20 | C19 | C18 | H14 | 109.6° | 107.6° |
| C19 | C20 | C18 | F1 | 107.8° | 107.5° |
| C19 | C20 | C18 | C17 | 109.8° | 107.5° |
| C20 | C19 | H13 | H14 | 144.6° | 145.7° |
| C19 | C20 | H39 | H40 | 144.5° | 145.7° |
| C20 | C18 | F1 | C17 | 145.6° | 145.7° |
| C20 | C18 | C17 | O4 | 33.7° | 58.8° |
| C20 | C18 | C17 | N4 | 145.1° | 121.3° |
| C18 | C20 | H39 | H40 | 144.6° | 145.7° |
| C19 | C18 | F1 | C17 | 144.6° | 145.7° |
| C19 | C18 | C17 | O4 | 35.9° | 9.9° |
| C19 | C18 | C17 | N4 | 145.3° | 170.1° |
| C18 | C19 | H13 | H14 | 144.6° | 145.7° |
| F1 | C18 | C17 | O4 | 179.9° | 155.6° |
| F1 | C18 | C17 | N4 | 1.1° | 24.4° |
| F1 | C18 | C19 | H13 | 1.2° | 145.0° |
| F1 | C18 | C19 | H14 | 139.7° | 0.1° |
| F1 | C18 | C20 | H39 | 142.7° | 0.0° |
| F1 | C18 | C20 | H40 | 1.8° | 145.0° |
| C18 | C17 | O4 | N4 | 178.7° | 180.0° |
| C18 | C17 | N4 | C16 | 176.6° | 180.0° |
| C17 | C18 | C19 | H13 | 142.1° | 0.0° |
| C17 | C18 | C19 | H14 | 1.2° | 144.9° |
| C18 | C17 | N4 | H38 | 3.4° | 0.0° |
| C17 | C18 | C20 | H39 | 0.3° | 145.0° |
| C17 | C18 | C20 | H40 | 140.6° | 0.0° |
| O7 | C43 | C42 | C38 | 179.5° | 179.9° |
| O7 | C43 | C42 | C41 | 179.5° | 180.0° |
| O7 | C43 | C38 | C37 | 1.0° | 0.1° |
| O7 | C43 | C38 | C39 | 179.9° | 179.7° |
| O7 | C43 | C42 | H51 | 0.5° | 0.0° |
| C43 | C42 | C41 | H51 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.2° | 0.3° |
| C42 | C43 | C38 | C37 | 179.5° | 180.0° |
| C42 | C43 | C38 | C39 | 0.6° | 0.3° |
| C43 | C42 | C41 | H30 | 179.8° | 180.0° |
| C42 | C43 | O7 | H52 | 180.0° | 90.0° |
| C41 | C42 | C43 | C38 | 0.0° | 0.0° |
| C42 | C41 | C40 | H30 | 180.0° | 179.7° |
| C42 | C41 | C40 | C39 | 0.2° | 0.3° |
| C42 | C41 | C40 | H50 | 179.8° | 179.7° |
| O4 | C17 | N4 | C16 | 2.2° | 0.0° |
| O4 | C17 | N4 | H38 | 177.8° | 180.0° |
| C43 | C38 | C37 | N7 | 9.7° | 0.3° |
| C43 | C38 | C37 | C39 | 178.8° | 179.7° |
| C43 | C38 | C39 | C40 | 1.0° | 0.3° |
| C43 | C38 | C37 | C36 | 172.3° | 179.7° |
| C43 | C38 | C39 | H29 | 179.0° | 179.7° |
| C38 | C43 | C42 | H51 | 179.9° | 179.9° |
| C38 | C43 | O7 | H52 | 0.5° | 90.0° |
| C17 | N4 | C16 | H38 | 180.0° | 180.0° |
| C17 | N4 | C16 | C21 | 114.8° | 85.0° |
| C17 | N4 | C16 | C15 | 120.1° | 155.0° |
| C17 | N4 | C16 | H12 | 3.2° | 35.1° |
| C41 | C40 | C39 | C38 | 0.8° | 0.0° |
| C41 | C40 | C39 | H50 | 180.0° | 179.9° |
| C41 | C40 | C39 | H29 | 179.2° | 179.9° |
| C40 | C41 | C42 | H51 | 179.8° | 179.7° |
| N8 | N7 | C37 | C38 | 178.5° | 180.0° |
| N8 | N7 | C37 | C36 | 3.4° | 0.0° |
| N7 | N8 | C44 | N9 | 177.5° | 180.0° |
| N7 | N8 | C44 | C35 | 1.3° | 0.5° |
| N7 | C37 | C38 | C36 | 178.0° | 180.0° |
| N7 | C37 | C38 | C39 | 169.2° | 180.0° |
| C37 | N7 | N8 | C44 | 3.8° | 0.2° |
| N7 | C37 | C36 | C35 | 0.6° | 0.0° |
| N7 | C37 | C36 | H28 | 179.4° | 180.0° |
| C37 | C38 | C39 | C40 | 179.9° | 179.9° |
| C38 | C37 | C36 | C35 | 178.5° | 180.0° |
| C38 | C37 | C36 | H28 | 1.5° | 0.0° |
| C37 | C38 | C39 | H29 | 0.1° | 0.1° |
| C38 | C39 | C40 | H29 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 8.8° | 0.0° |
| C38 | C39 | C40 | H50 | 179.2° | 180.0° |
| N8 | C44 | N9 | C35 | 178.7° | 179.5° |
| N8 | C44 | C35 | C36 | 1.4° | 0.5° |
| N8 | C44 | C35 | N6 | 175.8° | 179.7° |
| N8 | C44 | N9 | H53 | 0.0° | 0.0° |
| N8 | C44 | N9 | H54 | 120.0° | 180.0° |
| C39 | C40 | C41 | H30 | 179.8° | 179.9° |
| N4 | C16 | C21 | C24 | 68.8° | 65.2° |
| N4 | C16 | C21 | C15 | 120.0° | 120.0° |
| N4 | C16 | C21 | H12 | 118.9° | 120.0° |
| N4 | C16 | C15 | H12 | 117.6° | 120.0° |
| N4 | C16 | C21 | C23 | 51.5° | 174.9° |
| N4 | C16 | C21 | C22 | 170.0° | 54.8° |
| N4 | C16 | C15 | O3 | 40.8° | 39.2° |
| N4 | C16 | C15 | N3 | 140.0° | 140.8° |
| C37 | C36 | C35 | C44 | 1.7° | 0.2° |
| C37 | C36 | C35 | H28 | 180.0° | 180.0° |
| C37 | C36 | C35 | N6 | 176.2° | 180.0° |
| C24 | C21 | C16 | C23 | 120.2° | 119.9° |
| C24 | C21 | C16 | C22 | 121.2° | 120.0° |
| C24 | C21 | C16 | C15 | 171.3° | 174.8° |
| C24 | C21 | C23 | C22 | 116.9° | 120.0° |
| C24 | C21 | C16 | H12 | 50.2° | 54.8° |
| C24 | C21 | C23 | H15 | 180.0° | 55.1° |
| C24 | C21 | C23 | H16 | 60.0° | 64.9° |
| C24 | C21 | C23 | H17 | 60.0° | 175.1° |
| C21 | C24 | H18 | H19 | 120.0° | 120.0° |
| C21 | C24 | H18 | H20 | 120.0° | 120.0° |
| C21 | C24 | H19 | H20 | 120.0° | 120.1° |
| C24 | C21 | C22 | H41 | 180.0° | 180.0° |
| C24 | C21 | C22 | H42 | 60.0° | 60.0° |
| C24 | C21 | C22 | H43 | 60.0° | 60.0° |
| N9 | C44 | C35 | C36 | 180.0° | 180.0° |
| N9 | C44 | C35 | N6 | 5.6° | 0.2° |
| C44 | N9 | H53 | H54 | 120.0° | 180.0° |
| C44 | C35 | C36 | N6 | 174.5° | 179.8° |
| C44 | C35 | N6 | C34 | 43.7° | 120.3° |
| C44 | C35 | N6 | C45 | 148.9° | 115.9° |
| C44 | C35 | C36 | H28 | 178.2° | 179.8° |
| C35 | C44 | N9 | H53 | 178.7° | 179.5° |
| C35 | C44 | N9 | H54 | 61.3° | 0.5° |
| C36 | C35 | N6 | C34 | 130.6° | 59.9° |
| C36 | C35 | N6 | C45 | 36.9° | 63.9° |
| C21 | C16 | C15 | H12 | 121.0° | 120.1° |
| C16 | C21 | C23 | C22 | 120.6° | 120.1° |
| C21 | C16 | C15 | O3 | 80.6° | 80.7° |
| C21 | C16 | C15 | N3 | 98.6° | 99.3° |
| C16 | C21 | C23 | H15 | 57.5° | 64.8° |
| C16 | C21 | C23 | H16 | 177.5° | 175.1° |
| C16 | C21 | C23 | H17 | 62.5° | 55.2° |
| C16 | C21 | C24 | H18 | 180.0° | 60.1° |
| C16 | C21 | C24 | H19 | 60.0° | 180.0° |
| C16 | C21 | C24 | H20 | 60.0° | 59.9° |
| C21 | C16 | N4 | H38 | 65.2° | 95.0° |
| C16 | C21 | C22 | H41 | 57.1° | 60.1° |
| C16 | C21 | C22 | H42 | 62.9° | 180.0° |
| C16 | C21 | C22 | H43 | 177.1° | 60.0° |
| C15 | C16 | C21 | C23 | 68.5° | 54.9° |
| C15 | C16 | C21 | C22 | 50.1° | 65.2° |
| C16 | C15 | O3 | N3 | 179.2° | 180.0° |
| C16 | C15 | N3 | C14 | 2.0° | 4.4° |
| C16 | C15 | N3 | C11 | 176.8° | 175.5° |
| C15 | C16 | N4 | H38 | 59.9° | 25.0° |
| C23 | C21 | C16 | H12 | 170.4° | 65.1° |
| C21 | C23 | H15 | H16 | 120.0° | 120.0° |
| C21 | C23 | H15 | H17 | 120.0° | 120.0° |
| C21 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C21 | C24 | H18 | 58.0° | 180.0° |
| C23 | C21 | C24 | H19 | 178.0° | 60.1° |
| C23 | C21 | C24 | H20 | 62.0° | 60.0° |
| C23 | C21 | C22 | H41 | 63.8° | 60.0° |
| C23 | C21 | C22 | H42 | 176.2° | 59.9° |
| C23 | C21 | C22 | H43 | 56.2° | 180.0° |
| C22 | C21 | C16 | H12 | 71.1° | 174.8° |
| C22 | C21 | C23 | H15 | 63.1° | 175.1° |
| C22 | C21 | C23 | H16 | 56.9° | 55.1° |
| C22 | C21 | C23 | H17 | 176.9° | 64.9° |
| C22 | C21 | C24 | H18 | 57.8° | 60.0° |
| C22 | C21 | C24 | H19 | 62.2° | 60.0° |
| C22 | C21 | C24 | H20 | 177.8° | 180.0° |
| C21 | C22 | H41 | H42 | 120.0° | 120.0° |
| C21 | C22 | H41 | H43 | 120.0° | 120.1° |
| C21 | C22 | H42 | H43 | 120.0° | 120.1° |
| C35 | N6 | C34 | C45 | 168.1° | 123.8° |
| C35 | N6 | C34 | C33 | 146.5° | 176.8° |
| C35 | N6 | C45 | C46 | 152.2° | 176.8° |
| C35 | N6 | C34 | H26 | 26.1° | 63.2° |
| C35 | N6 | C34 | H27 | 93.1° | 56.9° |
| N6 | C35 | C36 | H28 | 3.8° | 0.0° |
| C35 | N6 | C45 | H55 | 87.2° | 63.3° |
| C35 | N6 | C45 | H56 | 31.6° | 56.9° |
| N6 | C34 | C33 | H26 | 120.4° | 119.9° |
| N6 | C34 | C33 | H27 | 120.4° | 119.9° |
| N6 | C34 | C33 | N5 | 57.6° | 58.4° |
| C34 | N6 | C45 | C46 | 39.6° | 59.3° |
| N6 | C34 | C33 | H24 | 62.4° | 61.6° |
| N6 | C34 | C33 | H25 | 177.5° | 178.4° |
| N6 | C34 | H26 | H27 | 118.8° | 120.0° |
| C34 | N6 | C45 | H55 | 81.0° | 60.6° |
| C34 | N6 | C45 | H56 | 160.2° | 179.3° |
| C33 | C34 | N6 | C45 | 45.4° | 59.3° |
| C34 | C33 | N5 | H24 | 120.0° | 120.0° |
| C34 | C33 | N5 | H25 | 119.9° | 120.0° |
| C34 | C33 | N5 | C46 | 64.6° | 59.3° |
| C34 | C33 | N5 | C32 | 171.8° | 176.8° |
| C34 | C33 | H24 | H25 | 120.1° | 120.1° |
| C33 | C34 | H26 | H27 | 118.8° | 120.1° |
| N6 | C45 | C46 | H55 | 120.6° | 119.9° |
| N6 | C45 | C46 | H56 | 120.6° | 120.0° |
| N6 | C45 | C46 | N5 | 46.5° | 58.4° |
| C45 | N6 | C34 | H26 | 165.8° | 60.7° |
| C45 | N6 | C34 | H27 | 75.0° | 179.3° |
| N6 | C45 | H55 | H56 | 118.2° | 120.1° |
| N6 | C45 | C46 | H57 | 166.9° | 61.6° |
| N6 | C45 | C46 | H58 | 73.9° | 178.4° |
| O3 | C15 | N3 | C14 | 177.2° | 175.6° |
| O3 | C15 | N3 | C11 | 4.0° | 4.5° |
| O3 | C15 | C16 | H12 | 158.4° | 159.2° |
| C15 | N3 | C14 | C11 | 178.9° | 179.9° |
| C15 | N3 | C14 | C13 | 154.0° | 155.9° |
| C15 | N3 | C11 | C12 | 178.0° | 179.0° |
| C15 | N3 | C11 | C10 | 61.4° | 59.6° |
| C15 | N3 | C11 | H8 | 61.2° | 61.6° |
| C15 | N3 | C14 | H10 | 35.2° | 37.1° |
| C15 | N3 | C14 | H11 | 87.2° | 85.2° |
| N3 | C15 | C16 | H12 | 22.4° | 20.8° |
| O2 | C13 | C14 | N3 | 79.4° | 155.1° |
| O2 | C13 | C14 | C12 | 117.8° | 118.1° |
| O2 | C13 | C14 | H9 | 124.4° | 123.8° |
| O2 | C13 | C12 | H9 | 125.1° | 123.8° |
| O2 | C13 | C12 | C11 | 78.4° | 153.6° |
| O2 | C13 | C14 | H10 | 39.5° | 86.1° |
| O2 | C13 | C14 | H11 | 161.8° | 36.2° |
| O2 | C13 | C12 | H35 | 40.8° | 88.1° |
| O2 | C13 | C12 | H36 | 162.4° | 35.2° |
| N3 | C14 | C13 | H10 | 118.8° | 118.8° |
| N3 | C14 | C13 | H11 | 118.8° | 118.9° |
| N3 | C14 | C13 | C12 | 38.4° | 37.1° |
| C14 | N3 | C11 | C12 | 1.1° | 1.1° |
| C14 | N3 | C11 | C10 | 119.6° | 120.5° |
| C14 | N3 | C11 | H8 | 117.9° | 118.4° |
| N3 | C14 | C13 | H9 | 156.3° | 81.0° |
| N3 | C14 | H10 | H11 | 123.4° | 122.3° |
| C13 | C14 | N3 | C11 | 25.0° | 24.2° |
| C14 | C13 | C12 | H9 | 117.9° | 118.1° |
| C14 | C13 | C12 | C11 | 38.6° | 35.5° |
| C13 | C14 | H10 | H11 | 123.4° | 122.4° |
| C14 | C13 | C12 | H35 | 157.8° | 153.9° |
| C14 | C13 | C12 | H36 | 80.5° | 82.8° |
| C14 | C13 | O2 | H37 | 180.0° | 67.8° |
| C33 | N5 | C46 | C45 | 59.5° | 59.3° |
| C33 | N5 | C46 | C32 | 123.6° | 123.8° |
| C33 | N5 | C32 | C31 | 65.3° | 170.0° |
| N5 | C33 | H24 | H25 | 120.2° | 120.0° |
| N5 | C33 | C34 | H26 | 177.9° | 61.5° |
| N5 | C33 | C34 | H27 | 62.8° | 178.4° |
| C33 | N5 | C32 | H47 | 55.5° | 50.0° |
| C33 | N5 | C32 | H48 | 174.0° | 70.0° |
| C33 | N5 | C46 | H57 | 180.0° | 60.6° |
| C33 | N5 | C46 | H58 | 60.9° | 179.3° |
| N3 | C11 | C12 | C13 | 23.5° | 22.2° |
| N3 | C11 | C12 | C10 | 121.2° | 119.4° |
| N3 | C11 | C12 | H8 | 117.5° | 119.5° |
| N3 | C11 | C10 | H8 | 123.0° | 121.2° |
| N3 | C11 | C10 | O1 | 25.8° | 0.8° |
| N3 | C11 | C10 | N2 | 153.5° | 179.2° |
| C11 | N3 | C14 | H10 | 143.8° | 143.0° |
| C11 | N3 | C14 | H11 | 93.8° | 94.7° |
| N3 | C11 | C12 | H35 | 142.7° | 140.6° |
| N3 | C11 | C12 | H36 | 95.6° | 96.2° |
| C45 | C46 | N5 | H57 | 120.4° | 119.9° |
| C45 | C46 | N5 | H58 | 120.4° | 120.0° |
| C45 | C46 | N5 | C32 | 176.9° | 176.9° |
| C46 | C45 | H55 | H56 | 118.2° | 120.0° |
| C45 | C46 | H57 | H58 | 118.7° | 120.1° |
| C13 | C12 | C11 | H35 | 119.2° | 118.4° |
| C13 | C12 | C11 | H36 | 119.2° | 118.4° |
| C13 | C12 | C11 | C10 | 144.7° | 97.2° |
| C13 | C12 | C11 | H8 | 94.0° | 141.7° |
| C12 | C13 | C14 | H10 | 157.2° | 155.8° |
| C12 | C13 | C14 | H11 | 80.4° | 81.8° |
| C13 | C12 | H35 | H36 | 122.4° | 123.3° |
| C12 | C13 | O2 | H37 | 67.8° | 180.0° |
| C46 | N5 | C32 | C31 | 56.8° | 66.2° |
| C46 | N5 | C33 | H24 | 55.3° | 60.7° |
| C46 | N5 | C33 | H25 | 175.4° | 179.3° |
| C46 | N5 | C32 | H47 | 177.6° | 173.8° |
| C46 | N5 | C32 | H48 | 63.9° | 53.8° |
| N5 | C46 | C45 | H55 | 74.1° | 61.5° |
| N5 | C46 | C45 | H56 | 167.1° | 178.4° |
| N5 | C46 | H57 | H58 | 118.7° | 120.0° |
| N5 | C32 | C31 | H47 | 120.8° | 120.0° |
| N5 | C32 | C31 | H48 | 120.8° | 120.0° |
| N5 | C32 | C31 | C30 | 93.6° | 90.0° |
| N5 | C32 | C31 | C47 | 85.7° | 90.3° |
| C32 | N5 | C33 | H24 | 68.3° | 63.2° |
| C32 | N5 | C33 | H25 | 51.8° | 56.8° |
| N5 | C32 | H47 | H48 | 117.6° | 120.1° |
| C32 | N5 | C46 | H57 | 56.5° | 63.2° |
| C32 | N5 | C46 | H58 | 62.7° | 56.8° |
| C12 | C11 | C10 | H8 | 121.2° | 121.0° |
| C12 | C11 | C10 | O1 | 89.9° | 118.5° |
| C12 | C11 | C10 | N2 | 90.7° | 61.5° |
| C11 | C12 | C13 | H9 | 156.5° | 82.5° |
| C11 | C12 | H35 | H36 | 122.4° | 123.2° |
| C11 | C10 | O1 | N2 | 179.3° | 180.0° |
| C11 | C10 | N2 | C9 | 170.9° | 180.0° |
| C11 | C10 | N2 | H34 | 9.1° | 0.0° |
| C10 | C11 | C12 | H35 | 96.1° | 21.1° |
| C10 | C11 | C12 | H36 | 25.5° | 144.4° |
| C32 | C31 | C30 | C47 | 179.3° | 179.8° |
| C32 | C31 | C30 | C29 | 179.9° | 180.0° |
| C32 | C31 | C47 | C48 | 179.6° | 179.7° |
| C32 | C31 | C30 | H23 | 0.1° | 0.2° |
| C31 | C32 | H47 | H48 | 117.5° | 120.0° |
| C32 | C31 | C47 | H59 | 0.5° | 0.2° |
| O1 | C10 | N2 | C9 | 9.7° | 0.0° |
| O1 | C10 | C11 | H8 | 148.9° | 120.4° |
| O1 | C10 | N2 | H34 | 170.2° | 180.0° |
| C10 | N2 | C9 | H34 | 180.0° | 180.0° |
| C10 | N2 | C9 | C8 | 104.5° | 180.0° |
| N2 | C10 | C11 | H8 | 30.5° | 59.6° |
| C10 | N2 | C9 | H32 | 16.0° | 60.0° |
| C10 | N2 | C9 | H33 | 135.0° | 60.0° |
| C31 | C30 | C29 | H23 | 180.0° | 179.8° |
| C31 | C30 | C29 | C28 | 1.1° | 0.1° |
| C30 | C31 | C47 | C48 | 0.3° | 0.5° |
| C31 | C30 | C29 | H46 | 178.9° | 180.0° |
| C30 | C31 | C32 | H47 | 27.2° | 150.0° |
| C30 | C31 | C32 | H48 | 145.6° | 30.0° |
| C30 | C31 | C47 | H59 | 179.7° | 180.0° |
| C29 | C30 | C31 | C47 | 0.8° | 0.2° |
| C30 | C29 | C28 | H46 | 180.0° | 179.9° |
| C30 | C29 | C28 | C48 | 0.9° | 0.1° |
| C30 | C29 | C28 | O6 | 179.0° | 179.7° |
| N2 | C9 | C8 | H32 | 120.5° | 120.0° |
| N2 | C9 | C8 | H33 | 120.5° | 119.9° |
| N2 | C9 | C8 | C7 | 13.8° | 100.0° |
| N2 | C9 | C8 | C25 | 165.2° | 80.0° |
| N2 | C9 | H32 | H33 | 118.5° | 120.0° |
| C31 | C47 | C48 | H59 | 180.0° | 179.5° |
| C31 | C47 | C48 | C28 | 0.1° | 0.5° |
| C47 | C31 | C30 | H23 | 179.2° | 180.0° |
| C47 | C31 | C32 | H47 | 153.5° | 29.7° |
| C47 | C31 | C32 | H48 | 35.1° | 149.7° |
| C31 | C47 | C48 | H60 | 179.9° | 179.4° |
| C29 | C28 | C48 | C47 | 0.4° | 0.2° |
| C29 | C28 | C48 | O6 | 177.9° | 179.8° |
| C29 | C28 | O6 | C27 | 173.4° | 0.3° |
| C28 | C29 | C30 | H23 | 178.9° | 179.7° |
| C29 | C28 | C48 | H60 | 179.6° | 179.7° |
| C9 | C8 | C7 | C25 | 179.0° | 180.0° |
| C9 | C8 | C7 | C6 | 179.0° | 180.0° |
| C9 | C8 | C25 | O5 | 1.1° | 0.3° |
| C9 | C8 | C25 | C49 | 178.6° | 179.7° |
| C9 | C8 | C7 | H7 | 1.0° | 0.0° |
| C8 | C9 | H32 | H33 | 118.5° | 120.0° |
| C8 | C9 | N2 | H34 | 75.6° | 0.0° |
| C47 | C48 | C28 | H60 | 180.0° | 179.9° |
| C47 | C48 | C28 | O6 | 178.3° | 180.0° |
| C48 | C28 | O6 | C27 | 8.7° | 180.0° |
| C48 | C28 | C29 | H46 | 179.1° | 180.0° |
| C28 | C48 | C47 | H59 | 179.9° | 180.0° |
| C28 | O6 | C27 | C26 | 175.1° | 180.0° |
| C28 | O6 | C27 | H44 | 55.3° | 60.0° |
| C28 | O6 | C27 | H45 | 65.2° | 60.0° |
| O6 | C28 | C29 | H46 | 1.1° | 0.2° |
| O6 | C28 | C48 | H60 | 1.7° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C25 | O5 | 178.0° | 179.7° |
| C7 | C8 | C25 | C49 | 2.3° | 0.3° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | H6 | 179.2° | 180.0° |
| C7 | C8 | C9 | H32 | 134.3° | 20.0° |
| C7 | C8 | C9 | H33 | 106.7° | 140.0° |
| C25 | C8 | C7 | C6 | 2.0° | 0.0° |
| C8 | C25 | O5 | C49 | 179.7° | 179.4° |
| C8 | C25 | O5 | C26 | 146.5° | 179.4° |
| C8 | C25 | C49 | C5 | 1.4° | 0.5° |
| C25 | C8 | C7 | H7 | 178.0° | 180.0° |
| C25 | C8 | C9 | H32 | 44.7° | 160.0° |
| C25 | C8 | C9 | H33 | 74.3° | 40.0° |
| C8 | C25 | C49 | H61 | 178.6° | 180.0° |
| O6 | C27 | C26 | O5 | 60.1° | 65.0° |
| O6 | C27 | C26 | H44 | 119.7° | 120.0° |
| O6 | C27 | C26 | H45 | 119.7° | 120.0° |
| O6 | C27 | C26 | H21 | 179.9° | 55.0° |
| O6 | C27 | C26 | H22 | 59.9° | 175.0° |
| O6 | C27 | H44 | H45 | 120.7° | 120.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C49 | 0.2° | 0.3° |
| C7 | C6 | C5 | C4 | 179.1° | 180.0° |
| C25 | O5 | C26 | C27 | 140.3° | 180.0° |
| O5 | C25 | C49 | C5 | 178.9° | 180.0° |
| C25 | O5 | C26 | H21 | 99.7° | 60.0° |
| C25 | O5 | C26 | H22 | 20.2° | 60.0° |
| O5 | C25 | C49 | H61 | 1.1° | 0.6° |
| O5 | C26 | C27 | H21 | 120.0° | 120.0° |
| O5 | C26 | C27 | H22 | 120.0° | 120.0° |
| C26 | O5 | C25 | C49 | 33.8° | 0.0° |
| O5 | C26 | H21 | H22 | 119.9° | 120.0° |
| O5 | C26 | C27 | H44 | 179.8° | 175.0° |
| O5 | C26 | C27 | H45 | 59.7° | 55.0° |
| C27 | C26 | H21 | H22 | 120.0° | 120.0° |
| C26 | C27 | H44 | H45 | 120.8° | 120.0° |
| C25 | C49 | C5 | C6 | 0.1° | 0.5° |
| C25 | C49 | C5 | H61 | 180.0° | 179.5° |
| C25 | C49 | C5 | C4 | 178.8° | 179.7° |
| C6 | C5 | C49 | C4 | 178.9° | 179.7° |
| C6 | C5 | C4 | S1 | 45.5° | 132.3° |
| C6 | C5 | C4 | C2 | 135.5° | 47.7° |
| C5 | C6 | C7 | H7 | 179.2° | 179.9° |
| C6 | C5 | C49 | H61 | 179.9° | 180.0° |
| C49 | C5 | C4 | S1 | 133.4° | 47.4° |
| C49 | C5 | C4 | C2 | 45.6° | 132.6° |
| C49 | C5 | C6 | H6 | 179.8° | 179.8° |
| C5 | C4 | S1 | C2 | 179.2° | 180.0° |
| C5 | C4 | S1 | C3 | 176.5° | 179.9° |
| C5 | C4 | C2 | C1 | 4.5° | 0.0° |
| C5 | C4 | C2 | N1 | 176.1° | 179.8° |
| C4 | C5 | C6 | H6 | 0.9° | 0.0° |
| C4 | C5 | C49 | H61 | 1.2° | 0.3° |
| S1 | C4 | C2 | C1 | 176.4° | 180.0° |
| S1 | C4 | C2 | N1 | 3.0° | 0.2° |
| C4 | S1 | C3 | N1 | 11.6° | 0.0° |
| C4 | S1 | C3 | H4 | 168.4° | 179.8° |
| C2 | C4 | S1 | C3 | 4.3° | 0.1° |
| C4 | C2 | C1 | N1 | 179.4° | 179.8° |
| C4 | C2 | N1 | C3 | 11.5° | 0.2° |
| C4 | C2 | C1 | H1 | 179.4° | 94.3° |
| C4 | C2 | C1 | H2 | 60.6° | 25.7° |
| C4 | C2 | C1 | H3 | 59.4° | 145.7° |
| S1 | C3 | N1 | C2 | 15.0° | 0.1° |
| S1 | C3 | N1 | H4 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 168.0° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C1 | H1 | 0.0° | 85.5° |
| N1 | C2 | C1 | H2 | 120.0° | 154.5° |
| N1 | C2 | C1 | H3 | 120.0° | 34.5° |
| C2 | N1 | C3 | H4 | 165.0° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.8° | 0.0° |
| H8 | C11 | C12 | H35 | 25.2° | 99.9° |
| H8 | C11 | C12 | H36 | 146.8° | 23.4° |
| H9 | C13 | C14 | H10 | 84.9° | 37.7° |
| H9 | C13 | C14 | H11 | 37.4° | 160.1° |
| H9 | C13 | C12 | H35 | 84.3° | 35.8° |
| H9 | C13 | C12 | H36 | 37.3° | 159.1° |
| H9 | C13 | O2 | H37 | 56.5° | 56.1° |
| H12 | C16 | N4 | H38 | 176.8° | 145.0° |
| H13 | C19 | C20 | H39 | 140.9° | 145.0° |
| H13 | C19 | C20 | H40 | 0.0° | 0.0° |
| H14 | C19 | C20 | H39 | 0.0° | 0.0° |
| H14 | C19 | C20 | H40 | 140.9° | 145.1° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H21 | C26 | C27 | H44 | 60.1° | 65.0° |
| H21 | C26 | C27 | H45 | 60.4° | 175.0° |
| H22 | C26 | C27 | H44 | 59.8° | 55.0° |
| H22 | C26 | C27 | H45 | 179.7° | 65.0° |
| H23 | C30 | C29 | H46 | 1.1° | 0.2° |
| H24 | C33 | C34 | H26 | 58.0° | 178.5° |
| H24 | C33 | C34 | H27 | 177.2° | 58.4° |
| H25 | C33 | C34 | H26 | 62.1° | 58.4° |
| H25 | C33 | C34 | H27 | 57.1° | 61.7° |
| H29 | C39 | C40 | H50 | 0.8° | 0.0° |
| H30 | C41 | C40 | H50 | 0.2° | 0.0° |
| H30 | C41 | C42 | H51 | 0.2° | 0.0° |
| H32 | C9 | N2 | H34 | 164.0° | 120.0° |
| H33 | C9 | N2 | H34 | 45.0° | 120.0° |
| H41 | C22 | H42 | H43 | 120.0° | 119.9° |
| H55 | C45 | C46 | H57 | 46.3° | 178.5° |
| H55 | C45 | C46 | H58 | 165.5° | 58.5° |
| H56 | C45 | C46 | H57 | 72.5° | 58.4° |
| H56 | C45 | C46 | H58 | 46.7° | 61.6° |
| H59 | C47 | C48 | H60 | 0.1° | 0.1° |
