A1H5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | S1 | doub | 1.42Å | 1.43Å | |
| F3 | C20 | sing | 1.40Å | 1.33Å | |
| C23 | S1 | sing | 1.81Å | 1.77Å | |
| S1 | N3 | sing | 1.66Å | 1.63Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| F2 | C20 | sing | 1.40Å | 1.33Å | |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C20 | F4 | sing | 1.40Å | 1.34Å | |
| C19 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | N2 | sing | 1.46Å | 1.45Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N3 | sing | 1.40Å | 1.42Å | |
| C22 | C47 | doub | 1.39Å | 1.38Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C1 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.47Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.34Å | 1.35Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C15 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C12 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| F1 | C11 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C47 | H20 | sing | 1.08Å | 1.08Å | |
| C48 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.53Å | 58.50Å | |
| C24 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | C30 | sing | 1.51Å | 0.00Å | |
| C30 | N6 | sing | 1.34Å | 0.00Å | Aromatic |
| N6 | N4 | doub | 1.29Å | 0.00Å | Aromatic |
| N4 | N5 | sing | 1.29Å | 0.00Å | Aromatic |
| N5 | C29 | sing | 1.35Å | 0.00Å | Aromatic |
| C29 | C30 | doub | 1.35Å | 0.00Å | Aromatic |
| N5 | C26 | sing | 1.46Å | 0.00Å | |
| C26 | C27 | sing | 1.53Å | 0.00Å | |
| C27 | O3 | sing | 1.43Å | 0.00Å | |
| O3 | C28 | sing | 1.43Å | 0.00Å | |
| C28 | C31 | sing | 1.53Å | 0.00Å | |
| C31 | O4 | sing | 1.43Å | 0.00Å | |
| O4 | C32 | sing | 1.43Å | 0.00Å | |
| C32 | C33 | sing | 1.51Å | 0.00Å | |
| C33 | N7 | sing | 1.35Å | 0.00Å | |
| N7 | C34 | sing | 1.39Å | 0.00Å | |
| C34 | C35 | sing | 1.39Å | 0.00Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 0.00Å | Aromatic |
| C36 | C42 | sing | 1.39Å | 0.00Å | Aromatic |
| C42 | C37 | doub | 1.41Å | 0.00Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 0.00Å | Aromatic |
| C39 | C34 | doub | 1.39Å | 0.00Å | Aromatic |
| C33 | O5 | doub | 1.21Å | 0.00Å | |
| C37 | C38 | sing | 1.48Å | 0.00Å | |
| C38 | N8 | sing | 1.35Å | 0.00Å | |
| N8 | C41 | sing | 1.34Å | 0.00Å | |
| C41 | C42 | sing | 1.48Å | 0.00Å | |
| C41 | O6 | doub | 1.22Å | 0.00Å | |
| C38 | O7 | doub | 1.21Å | 0.00Å | |
| N8 | C40 | sing | 1.47Å | 0.00Å | |
| C40 | C43 | sing | 1.53Å | 0.00Å | |
| C43 | C44 | sing | 1.53Å | 0.00Å | |
| C44 | C45 | sing | 1.51Å | 0.00Å | |
| C45 | N9 | sing | 1.34Å | 0.00Å | |
| N9 | C49 | sing | 1.34Å | 0.00Å | |
| C49 | C40 | sing | 1.51Å | 0.00Å | |
| C49 | O8 | doub | 1.21Å | 0.00Å | |
| C45 | O9 | doub | 1.21Å | 0.00Å | |
| C24 | H19 | sing | 1.09Å | 0.00Å | |
| C24 | H22 | sing | 1.09Å | 0.00Å | |
| C25 | H23 | sing | 1.09Å | 0.00Å | |
| C25 | H24 | sing | 1.09Å | 0.00Å | |
| C29 | H25 | sing | 1.08Å | 0.00Å | |
| C26 | H26 | sing | 1.09Å | 0.00Å | |
| C26 | H27 | sing | 1.09Å | 0.00Å | |
| C27 | H28 | sing | 1.09Å | 0.00Å | |
| C27 | H29 | sing | 1.09Å | 0.00Å | |
| C28 | H30 | sing | 1.09Å | 0.00Å | |
| C28 | H31 | sing | 1.09Å | 0.00Å | |
| C31 | H32 | sing | 1.09Å | 0.00Å | |
| C31 | H33 | sing | 1.09Å | 0.00Å | |
| C32 | H34 | sing | 1.09Å | 0.00Å | |
| C32 | H35 | sing | 1.09Å | 0.00Å | |
| N7 | H36 | sing | 0.97Å | 0.00Å | |
| C35 | H37 | sing | 1.08Å | 0.00Å | |
| C36 | H38 | sing | 1.08Å | 0.00Å | |
| C39 | H39 | sing | 1.08Å | 0.00Å | |
| C40 | H40 | sing | 1.09Å | 0.00Å | |
| C43 | H41 | sing | 1.09Å | 0.00Å | |
| C43 | H42 | sing | 1.09Å | 0.00Å | |
| C44 | H43 | sing | 1.09Å | 0.00Å | |
| C44 | H44 | sing | 1.09Å | 0.00Å | |
| N9 | H45 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | S1 | C23 | 108.0° | 110.6° |
| O10 | S1 | N3 | 112.5° | 104.3° |
| O10 | S1 | O2 | 118.7° | 121.0° |
| F3 | C20 | F2 | 108.4° | 109.5° |
| F3 | C20 | C19 | 111.7° | 109.5° |
| F3 | C20 | F4 | 108.4° | 109.5° |
| C23 | S1 | N3 | 106.9° | 104.5° |
| C23 | S1 | O2 | 107.0° | 110.5° |
| S1 | C23 | H17 | 115.9° | 109.5° |
| S1 | C23 | H18 | 115.9° | 109.5° |
| S1 | C23 | C24 | 81.8° | 109.5° |
| N3 | S1 | O2 | 103.1° | 104.3° |
| S1 | N3 | C22 | 128.3° | 120.0° |
| S1 | N3 | H1 | 104.6° | 120.0° |
| F2 | C20 | C19 | 112.8° | 109.5° |
| F2 | C20 | F4 | 103.9° | 109.5° |
| C19 | C20 | F4 | 111.2° | 109.5° |
| C20 | C19 | C21 | 119.3° | 120.0° |
| C20 | C19 | C18 | 120.7° | 119.9° |
| C21 | C19 | C18 | 119.9° | 120.1° |
| C19 | C21 | C22 | 120.4° | 119.9° |
| C19 | C21 | H10 | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.7° | 119.9° |
| C19 | C18 | C48 | 119.0° | 120.1° |
| C18 | C17 | N2 | 111.1° | 109.5° |
| C17 | C18 | C48 | 120.2° | 119.9° |
| C18 | C17 | H8 | 109.1° | 109.5° |
| C18 | C17 | H9 | 109.1° | 109.5° |
| C17 | N2 | C1 | 119.6° | 120.0° |
| N2 | C17 | H8 | 109.1° | 109.5° |
| N2 | C17 | H9 | 109.1° | 109.4° |
| C17 | N2 | H16 | 120.2° | 120.0° |
| C21 | C22 | N3 | 118.5° | 120.1° |
| C21 | C22 | C47 | 119.9° | 119.9° |
| C22 | C21 | H10 | 119.8° | 120.1° |
| C18 | C48 | C47 | 120.6° | 120.0° |
| C18 | C48 | H21 | 119.7° | 120.0° |
| N3 | C22 | C47 | 121.6° | 120.1° |
| C22 | N3 | H1 | 104.6° | 120.0° |
| C22 | C47 | C48 | 120.2° | 119.9° |
| C22 | C47 | H20 | 119.9° | 120.0° |
| C48 | C47 | H20 | 119.9° | 120.0° |
| C47 | C48 | H21 | 119.7° | 119.9° |
| N2 | C1 | C2 | 117.9° | 120.0° |
| N2 | C1 | O1 | 121.9° | 119.9° |
| C1 | N2 | H16 | 120.2° | 119.9° |
| C15 | C14 | C13 | 107.4° | 106.9° |
| C14 | C15 | C16 | 134.5° | 134.0° |
| C14 | C15 | C5 | 106.6° | 106.0° |
| C15 | C14 | H14 | 126.3° | 126.5° |
| C14 | C13 | N1 | 110.3° | 110.0° |
| C14 | C13 | H7 | 124.9° | 125.0° |
| C13 | C14 | H14 | 126.3° | 126.6° |
| C15 | C16 | C2 | 119.2° | 119.4° |
| C16 | C15 | C5 | 118.8° | 120.0° |
| C15 | C16 | H15 | 120.4° | 120.3° |
| C16 | C2 | C1 | 122.2° | 119.9° |
| C16 | C2 | C3 | 120.3° | 120.0° |
| C2 | C16 | H15 | 120.4° | 120.3° |
| C2 | C1 | O1 | 120.0° | 120.1° |
| C1 | C2 | C3 | 117.4° | 120.0° |
| C15 | C5 | N1 | 108.2° | 107.1° |
| C15 | C5 | C4 | 122.8° | 119.7° |
| C2 | C3 | C4 | 121.8° | 120.7° |
| C2 | C3 | H11 | 119.1° | 119.7° |
| C13 | N1 | C5 | 107.5° | 110.0° |
| C13 | N1 | C6 | 127.5° | 125.0° |
| N1 | C13 | H7 | 124.9° | 125.0° |
| N1 | C5 | C4 | 129.0° | 133.2° |
| C5 | N1 | C6 | 125.0° | 125.0° |
| C5 | C4 | C3 | 117.0° | 120.2° |
| C5 | C4 | H2 | 121.5° | 119.9° |
| N1 | C6 | C7 | 114.9° | 109.4° |
| N1 | C6 | H3 | 108.1° | 109.5° |
| N1 | C6 | H4 | 108.1° | 109.5° |
| C3 | C4 | H2 | 121.5° | 119.9° |
| C4 | C3 | H11 | 119.1° | 119.6° |
| C6 | C7 | C12 | 122.7° | 120.0° |
| C6 | C7 | C8 | 118.7° | 120.0° |
| C7 | C6 | H3 | 108.1° | 109.5° |
| C7 | C6 | H4 | 108.1° | 109.4° |
| C7 | C12 | C11 | 119.0° | 120.0° |
| C12 | C7 | C8 | 118.6° | 120.0° |
| C7 | C12 | H13 | 120.5° | 120.0° |
| C12 | C11 | F1 | 118.4° | 120.0° |
| C12 | C11 | C10 | 123.3° | 120.0° |
| C11 | C12 | H13 | 120.5° | 120.0° |
| F1 | C11 | C10 | 118.2° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.1° |
| C7 | C8 | H5 | 119.6° | 119.9° |
| C11 | C10 | C9 | 117.8° | 120.0° |
| C11 | C10 | H6 | 121.1° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C9 | C8 | H5 | 119.6° | 120.0° |
| C8 | C9 | H12 | 119.8° | 120.0° |
| C9 | C10 | H6 | 121.1° | 120.0° |
| C10 | C9 | H12 | 119.8° | 120.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H17 | C23 | C24 | 115.9° | 109.4° |
| H18 | C23 | C24 | 115.9° | 109.5° |
| C23 | C24 | C25 | 90.0° | 109.5° |
| C23 | C24 | H19 | 90.0° | 109.5° |
| C23 | C24 | H22 | 90.0° | 109.4° |
| C24 | C25 | C30 | 90.0° | 109.4° |
| C25 | C24 | H19 | 90.0° | 109.5° |
| C25 | C24 | H22 | 90.0° | 109.5° |
| C24 | C25 | H23 | 90.0° | 109.5° |
| C24 | C25 | H24 | 90.0° | 109.5° |
| C25 | C30 | N6 | 90.0° | 126.8° |
| C25 | C30 | C29 | 90.0° | 126.7° |
| C30 | C25 | H23 | 90.0° | 109.4° |
| C30 | C25 | H24 | 90.0° | 109.4° |
| C30 | N6 | N4 | 90.0° | 108.9° |
| N6 | C30 | C29 | 90.0° | 106.5° |
| N6 | N4 | N5 | 90.0° | 110.2° |
| N4 | N5 | C29 | 90.0° | 108.2° |
| N4 | N5 | C26 | 90.0° | 125.9° |
| N5 | C29 | C30 | 90.0° | 106.2° |
| C29 | N5 | C26 | 90.0° | 125.8° |
| N5 | C29 | H25 | 90.0° | 126.9° |
| C30 | C29 | H25 | 90.0° | 126.9° |
| N5 | C26 | C27 | 90.0° | 109.5° |
| N5 | C26 | H26 | 90.0° | 109.5° |
| N5 | C26 | H27 | 90.0° | 109.5° |
| C26 | C27 | O3 | 90.0° | 109.5° |
| C27 | C26 | H26 | 90.0° | 109.5° |
| C27 | C26 | H27 | 90.0° | 109.5° |
| C26 | C27 | H28 | 90.0° | 109.5° |
| C26 | C27 | H29 | 90.0° | 109.5° |
| C27 | O3 | C28 | 90.0° | 114.0° |
| O3 | C27 | H28 | 90.0° | 109.5° |
| O3 | C27 | H29 | 90.0° | 109.5° |
| O3 | C28 | C31 | 90.0° | 109.4° |
| O3 | C28 | H30 | 90.0° | 109.4° |
| O3 | C28 | H31 | 90.0° | 109.5° |
| C28 | C31 | O4 | 90.0° | 109.5° |
| C31 | C28 | H30 | 90.0° | 109.5° |
| C31 | C28 | H31 | 90.0° | 109.5° |
| C28 | C31 | H32 | 90.0° | 109.5° |
| C28 | C31 | H33 | 90.0° | 109.6° |
| C31 | O4 | C32 | 90.0° | 114.0° |
| O4 | C31 | H32 | 90.0° | 109.5° |
| O4 | C31 | H33 | 90.0° | 109.4° |
| O4 | C32 | C33 | 90.0° | 109.5° |
| O4 | C32 | H34 | 90.0° | 109.4° |
| O4 | C32 | H35 | 90.0° | 109.4° |
| C32 | C33 | N7 | 90.0° | 120.0° |
| C32 | C33 | O5 | 90.0° | 120.0° |
| C33 | C32 | H34 | 90.0° | 109.5° |
| C33 | C32 | H35 | 90.0° | 109.5° |
| C33 | N7 | C34 | 90.0° | 120.0° |
| N7 | C33 | O5 | 90.0° | 120.0° |
| C33 | N7 | H36 | 90.0° | 120.0° |
| N7 | C34 | C35 | 90.0° | 119.9° |
| N7 | C34 | C39 | 90.0° | 119.8° |
| C34 | N7 | H36 | 90.0° | 120.0° |
| C34 | C35 | C36 | 90.0° | 120.5° |
| C35 | C34 | C39 | 90.0° | 120.3° |
| C34 | C35 | H37 | 90.0° | 119.8° |
| C35 | C36 | C42 | 90.0° | 119.8° |
| C36 | C35 | H37 | 90.0° | 119.8° |
| C35 | C36 | H38 | 90.0° | 120.1° |
| C36 | C42 | C37 | 90.0° | 120.0° |
| C36 | C42 | C41 | 90.0° | 134.2° |
| C42 | C36 | H38 | 90.0° | 120.1° |
| C42 | C37 | C39 | 90.0° | 119.9° |
| C42 | C37 | C38 | 90.0° | 105.8° |
| C37 | C42 | C41 | 90.0° | 105.9° |
| C37 | C39 | C34 | 90.0° | 119.7° |
| C39 | C37 | C38 | 90.0° | 134.3° |
| C37 | C39 | H39 | 90.0° | 120.1° |
| C34 | C39 | H39 | 90.0° | 120.2° |
| C37 | C38 | N8 | 90.0° | 108.5° |
| C37 | C38 | O7 | 90.0° | 125.8° |
| C38 | N8 | C41 | 90.0° | 111.1° |
| N8 | C38 | O7 | 90.0° | 125.7° |
| C38 | N8 | C40 | 90.0° | 124.4° |
| N8 | C41 | C42 | 90.0° | 108.7° |
| N8 | C41 | O6 | 90.0° | 125.6° |
| C41 | N8 | C40 | 90.0° | 124.5° |
| C42 | C41 | O6 | 90.0° | 125.7° |
| N8 | C40 | C43 | 90.0° | 109.5° |
| N8 | C40 | C49 | 90.0° | 109.5° |
| N8 | C40 | H40 | 90.0° | 109.6° |
| C40 | C43 | C44 | 90.0° | 108.6° |
| C43 | C40 | C49 | 90.0° | 109.1° |
| C43 | C40 | H40 | 90.0° | 109.5° |
| C40 | C43 | H41 | 90.0° | 109.7° |
| C40 | C43 | H42 | 90.0° | 109.6° |
| C43 | C44 | C45 | 90.0° | 109.1° |
| C44 | C43 | H41 | 90.0° | 109.6° |
| C44 | C43 | H42 | 90.0° | 109.6° |
| C43 | C44 | H43 | 90.0° | 109.5° |
| C43 | C44 | H44 | 90.0° | 109.5° |
| C44 | C45 | N9 | 90.0° | 121.3° |
| C44 | C45 | O9 | 90.0° | 119.4° |
| C45 | C44 | H43 | 90.0° | 109.5° |
| C45 | C44 | H44 | 90.0° | 109.5° |
| C45 | N9 | C49 | 90.0° | 122.6° |
| N9 | C45 | O9 | 90.0° | 119.3° |
| C45 | N9 | H45 | 90.0° | 118.7° |
| N9 | C49 | C40 | 90.0° | 121.3° |
| N9 | C49 | O8 | 90.0° | 119.4° |
| C49 | N9 | H45 | 90.0° | 118.7° |
| C40 | C49 | O8 | 90.0° | 119.3° |
| C49 | C40 | H40 | 90.0° | 109.6° |
| H19 | C24 | H22 | 90.0° | 109.5° |
| H23 | C25 | H24 | 90.0° | 109.5° |
| H26 | C26 | H27 | 90.0° | 109.4° |
| H28 | C27 | H29 | 90.0° | 109.4° |
| H30 | C28 | H31 | 90.0° | 109.5° |
| H32 | C31 | H33 | 90.0° | 109.4° |
| H34 | C32 | H35 | 90.0° | 109.4° |
| H41 | C43 | H42 | 90.0° | 109.8° |
| H43 | C44 | H44 | 90.0° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | S1 | C23 | N3 | 121.3° | 111.7° |
| O10 | S1 | C23 | O2 | 128.8° | 136.7° |
| O10 | S1 | N3 | O2 | 129.0° | 127.8° |
| O10 | S1 | N3 | C22 | 24.1° | 54.9° |
| O10 | S1 | N3 | H1 | 98.3° | 125.0° |
| O10 | S1 | C23 | H17 | 78.1° | 166.7° |
| O10 | S1 | C23 | H18 | 151.6° | 46.7° |
| O10 | S1 | C23 | C24 | 36.8° | 73.3° |
| F3 | C20 | F2 | C19 | 124.2° | 120.0° |
| F3 | C20 | F2 | F4 | 115.2° | 120.0° |
| F3 | C20 | C19 | F4 | 121.3° | 120.0° |
| F3 | C20 | C19 | C21 | 123.2° | 120.0° |
| F3 | C20 | C19 | C18 | 58.4° | 59.9° |
| C23 | S1 | N3 | O2 | 112.6° | 116.1° |
| C23 | S1 | N3 | C22 | 142.5° | 61.2° |
| C23 | S1 | N3 | H1 | 20.1° | 118.9° |
| S1 | C23 | H17 | H18 | 133.3° | 120.0° |
| S1 | C23 | H17 | C24 | 93.3° | 120.0° |
| S1 | C23 | H18 | C24 | 93.4° | 120.1° |
| S1 | C23 | C24 | C25 | 90.0° | 180.0° |
| S1 | C23 | C24 | H19 | 90.0° | 60.0° |
| S1 | C23 | C24 | H22 | 90.0° | 60.0° |
| S1 | N3 | C22 | C21 | 29.5° | 134.8° |
| S1 | N3 | C22 | H1 | 122.5° | 180.0° |
| S1 | N3 | C22 | C47 | 150.0° | 45.2° |
| N3 | S1 | C23 | H17 | 160.6° | 55.0° |
| N3 | S1 | C23 | H18 | 30.3° | 65.0° |
| N3 | S1 | C23 | C24 | 84.5° | 175.0° |
| O2 | S1 | N3 | C22 | 104.9° | 177.2° |
| O2 | S1 | N3 | H1 | 132.6° | 2.8° |
| O2 | S1 | C23 | H17 | 50.8° | 56.6° |
| O2 | S1 | C23 | H18 | 79.6° | 176.6° |
| O2 | S1 | C23 | C24 | 165.6° | 63.3° |
| F2 | C20 | C19 | F4 | 116.3° | 120.0° |
| F2 | C20 | C19 | C21 | 0.8° | 120.0° |
| F2 | C20 | C19 | C18 | 179.1° | 60.1° |
| C20 | C19 | C21 | C18 | 178.3° | 179.9° |
| C20 | C19 | C18 | C17 | 5.1° | 0.3° |
| C20 | C19 | C21 | C22 | 178.3° | 180.0° |
| C20 | C19 | C18 | C48 | 178.3° | 179.5° |
| C20 | C19 | C21 | H10 | 1.7° | 0.2° |
| F4 | C20 | C19 | C21 | 115.5° | 0.0° |
| F4 | C20 | C19 | C18 | 62.8° | 180.0° |
| C21 | C19 | C18 | C17 | 176.6° | 179.8° |
| C19 | C21 | C22 | H10 | 180.0° | 179.8° |
| C21 | C19 | C18 | C48 | 0.0° | 0.6° |
| C19 | C21 | C22 | N3 | 179.5° | 179.8° |
| C19 | C21 | C22 | C47 | 0.0° | 0.2° |
| C19 | C18 | C17 | C48 | 176.5° | 179.2° |
| C19 | C18 | C17 | N2 | 161.6° | 79.2° |
| C18 | C19 | C21 | C22 | 0.0° | 0.0° |
| C19 | C18 | C48 | C47 | 0.0° | 0.8° |
| C19 | C18 | C17 | H8 | 41.4° | 40.8° |
| C19 | C18 | C17 | H9 | 78.1° | 160.8° |
| C18 | C19 | C21 | H10 | 180.0° | 179.7° |
| C19 | C18 | C48 | H21 | 180.0° | 180.0° |
| C18 | C17 | N2 | H8 | 120.3° | 120.0° |
| C18 | C17 | N2 | H9 | 120.3° | 120.0° |
| C17 | C18 | C48 | C47 | 176.6° | 180.0° |
| C18 | C17 | N2 | C1 | 94.2° | 180.0° |
| C18 | C17 | H8 | H9 | 119.2° | 120.0° |
| C18 | C17 | N2 | H16 | 85.8° | 0.0° |
| C17 | C18 | C48 | H21 | 3.4° | 0.8° |
| N2 | C17 | C18 | C48 | 21.8° | 100.0° |
| C17 | N2 | C1 | H16 | 180.0° | 180.0° |
| C17 | N2 | C1 | C2 | 166.7° | 180.0° |
| C17 | N2 | C1 | O1 | 9.2° | 0.0° |
| N2 | C17 | H8 | H9 | 119.3° | 120.0° |
| C21 | C22 | N3 | C47 | 179.5° | 180.0° |
| C21 | C22 | C47 | C48 | 0.0° | 0.0° |
| C21 | C22 | N3 | H1 | 152.0° | 45.3° |
| C21 | C22 | C47 | H20 | 179.9° | 180.0° |
| C18 | C48 | C47 | C22 | 0.0° | 0.5° |
| C18 | C48 | C47 | H21 | 180.0° | 179.2° |
| C48 | C18 | C17 | H8 | 142.1° | 140.0° |
| C48 | C18 | C17 | H9 | 98.4° | 20.0° |
| C18 | C48 | C47 | H20 | 179.9° | 179.5° |
| N3 | C22 | C47 | C48 | 179.5° | 180.0° |
| N3 | C22 | C21 | H10 | 0.5° | 0.0° |
| N3 | C22 | C47 | H20 | 0.6° | 0.0° |
| C22 | C47 | C48 | H20 | 180.0° | 180.0° |
| C47 | C22 | N3 | H1 | 27.5° | 134.7° |
| C47 | C22 | C21 | H10 | 180.0° | 180.0° |
| C22 | C47 | C48 | H21 | 179.9° | 179.7° |
| N2 | C1 | C2 | C16 | 13.6° | 179.9° |
| N2 | C1 | C2 | O1 | 176.0° | 180.0° |
| N2 | C1 | C2 | C3 | 169.4° | 0.0° |
| C1 | N2 | C17 | H8 | 26.0° | 60.0° |
| C1 | N2 | C17 | H9 | 145.5° | 60.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C5 | 179.3° | 179.7° |
| C14 | C15 | C16 | C2 | 179.4° | 179.7° |
| C15 | C14 | C13 | N1 | 2.4° | 0.1° |
| C14 | C15 | C5 | N1 | 0.2° | 0.2° |
| C14 | C15 | C5 | C4 | 179.6° | 179.8° |
| C15 | C14 | C13 | H7 | 177.6° | 179.8° |
| C14 | C15 | C16 | H15 | 0.6° | 0.3° |
| C13 | C14 | C15 | C16 | 179.1° | 179.8° |
| C13 | C14 | C15 | C5 | 1.5° | 0.0° |
| C14 | C13 | N1 | H7 | 180.0° | 179.9° |
| C14 | C13 | N1 | C5 | 2.3° | 0.2° |
| C14 | C13 | N1 | C6 | 179.8° | 180.0° |
| C15 | C16 | C2 | H15 | 180.0° | 179.9° |
| C15 | C16 | C2 | C1 | 177.6° | 180.0° |
| C15 | C16 | C2 | C3 | 0.7° | 0.1° |
| C16 | C15 | C5 | N1 | 179.6° | 179.9° |
| C16 | C15 | C5 | C4 | 0.1° | 0.0° |
| C16 | C15 | C14 | H14 | 0.9° | 0.4° |
| C16 | C2 | C1 | C3 | 177.0° | 179.9° |
| C16 | C2 | C1 | O1 | 162.4° | 0.1° |
| C2 | C16 | C15 | C5 | 0.1° | 0.0° |
| C16 | C2 | C3 | C4 | 1.4° | 0.1° |
| C16 | C2 | C3 | H11 | 178.6° | 179.9° |
| C1 | C2 | C3 | C4 | 178.5° | 180.0° |
| C1 | C2 | C3 | H11 | 1.5° | 0.0° |
| C1 | C2 | C16 | H15 | 2.5° | 0.1° |
| C2 | C1 | N2 | H16 | 13.3° | 0.1° |
| O1 | C1 | C2 | C3 | 14.6° | 179.9° |
| O1 | C1 | N2 | H16 | 170.8° | 179.9° |
| C15 | C5 | N1 | C13 | 1.2° | 0.2° |
| C15 | C5 | N1 | C4 | 179.7° | 179.9° |
| C15 | C5 | N1 | C6 | 178.8° | 180.0° |
| C15 | C5 | C4 | C3 | 0.6° | 0.0° |
| C15 | C5 | C4 | H2 | 179.4° | 180.0° |
| C5 | C15 | C14 | H14 | 178.5° | 179.9° |
| C5 | C15 | C16 | H15 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.4° | 0.1° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 178.6° | 180.0° |
| C3 | C2 | C16 | H15 | 179.3° | 180.0° |
| C13 | N1 | C5 | C6 | 177.6° | 179.8° |
| C13 | N1 | C5 | C4 | 179.0° | 179.7° |
| C13 | N1 | C6 | C7 | 87.3° | 94.8° |
| C13 | N1 | C6 | H3 | 151.9° | 25.3° |
| C13 | N1 | C6 | H4 | 33.4° | 145.3° |
| N1 | C13 | C14 | H14 | 177.6° | 179.8° |
| N1 | C5 | C4 | C3 | 179.7° | 179.9° |
| C5 | N1 | C6 | C7 | 95.6° | 85.0° |
| N1 | C5 | C4 | H2 | 0.3° | 0.1° |
| C5 | N1 | C6 | H3 | 25.2° | 154.9° |
| C5 | N1 | C6 | H4 | 143.7° | 34.9° |
| C5 | N1 | C13 | H7 | 177.7° | 179.7° |
| C4 | C5 | N1 | C6 | 1.4° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H11 | 178.6° | 179.9° |
| N1 | C6 | C7 | H3 | 120.8° | 120.0° |
| N1 | C6 | C7 | H4 | 120.8° | 120.0° |
| N1 | C6 | C7 | C12 | 1.0° | 90.3° |
| N1 | C6 | C7 | C8 | 178.8° | 90.0° |
| N1 | C6 | H3 | H4 | 117.5° | 120.0° |
| C6 | N1 | C13 | H7 | 0.2° | 0.1° |
| C6 | C7 | C12 | C8 | 179.8° | 179.7° |
| C6 | C7 | C12 | C11 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C7 | C6 | H3 | H4 | 117.5° | 120.0° |
| C6 | C7 | C8 | H5 | 0.0° | 0.0° |
| C6 | C7 | C12 | H13 | 0.3° | 0.0° |
| C7 | C12 | C11 | H13 | 180.0° | 180.0° |
| C7 | C12 | C11 | F1 | 179.9° | 179.7° |
| C7 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C7 | C8 | C9 | 0.2° | 0.3° |
| C12 | C7 | C6 | H3 | 119.8° | 149.7° |
| C12 | C7 | C6 | H4 | 121.8° | 29.7° |
| C12 | C7 | C8 | H5 | 179.8° | 179.7° |
| C12 | C11 | F1 | C10 | 179.5° | 179.7° |
| C11 | C12 | C7 | C8 | 0.1° | 0.3° |
| C12 | C11 | C10 | C9 | 0.6° | 0.3° |
| C12 | C11 | C10 | H6 | 179.4° | 179.9° |
| F1 | C11 | C10 | C9 | 180.0° | 180.0° |
| F1 | C11 | C10 | H6 | 0.0° | 0.2° |
| F1 | C11 | C12 | H13 | 0.1° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | H3 | 60.4° | 30.0° |
| C8 | C7 | C6 | H4 | 58.0° | 150.0° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C8 | C7 | C12 | H13 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.3° | 0.3° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C11 | C10 | C9 | H12 | 179.7° | 179.7° |
| C10 | C11 | C12 | H13 | 179.5° | 180.0° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | H6 | 179.7° | 179.9° |
| C10 | C9 | C8 | H5 | 179.9° | 180.0° |
| H2 | C4 | C3 | H11 | 1.4° | 0.0° |
| H5 | C8 | C9 | H12 | 0.1° | 0.0° |
| H6 | C10 | C9 | H12 | 0.3° | 0.1° |
| H7 | C13 | C14 | H14 | 2.4° | 0.3° |
| H8 | C17 | N2 | H16 | 154.0° | 120.0° |
| H9 | C17 | N2 | H16 | 34.5° | 120.0° |
| H17 | C23 | H18 | C24 | 133.3° | 119.9° |
| H17 | C23 | C24 | C25 | 90.0° | 60.0° |
| H17 | C23 | C24 | H19 | 90.0° | 180.0° |
| H17 | C23 | C24 | H22 | 90.0° | 60.0° |
| H18 | C23 | C24 | C25 | 90.0° | 60.0° |
| H18 | C23 | C24 | H19 | 90.0° | 60.1° |
| H18 | C23 | C24 | H22 | 90.0° | 180.0° |
| H20 | C47 | C48 | H21 | 0.1° | 0.2° |
| C23 | C24 | C25 | H19 | 90.0° | 120.0° |
| C23 | C24 | C25 | H22 | 90.0° | 120.0° |
| C23 | C24 | C25 | C30 | 90.0° | 180.0° |
| C23 | C24 | H19 | H22 | 90.0° | 120.0° |
| C23 | C24 | C25 | H23 | 90.0° | 60.0° |
| C23 | C24 | C25 | H24 | 90.0° | 60.0° |
| C24 | C25 | C30 | H23 | 90.0° | 120.0° |
| C24 | C25 | C30 | H24 | 90.0° | 120.0° |
| C24 | C25 | C30 | N6 | 90.0° | 55.0° |
| C24 | C25 | C30 | C29 | 90.0° | 124.7° |
| C25 | C24 | H19 | H22 | 90.0° | 120.0° |
| C24 | C25 | H23 | H24 | 90.0° | 120.1° |
| C25 | C30 | N6 | C29 | 90.0° | 179.7° |
| C25 | C30 | N6 | N4 | 90.0° | 180.0° |
| C25 | C30 | C29 | N5 | 90.0° | 179.8° |
| C30 | C25 | C24 | H19 | 90.0° | 60.0° |
| C30 | C25 | C24 | H22 | 90.0° | 60.0° |
| C30 | C25 | H23 | H24 | 90.0° | 120.0° |
| C25 | C30 | C29 | H25 | 90.0° | 0.3° |
| C30 | N6 | N4 | N5 | 90.0° | 0.0° |
| N6 | C30 | C29 | N5 | 90.0° | 0.4° |
| N6 | C30 | C25 | H23 | 90.0° | 175.0° |
| N6 | C30 | C25 | H24 | 90.0° | 65.0° |
| N6 | C30 | C29 | H25 | 90.0° | 179.9° |
| N6 | N4 | N5 | C29 | 90.0° | 0.3° |
| N4 | N6 | C30 | C29 | 90.0° | 0.3° |
| N6 | N4 | N5 | C26 | 90.0° | 180.0° |
| N4 | N5 | C29 | C26 | 90.0° | 179.8° |
| N4 | N5 | C29 | C30 | 90.0° | 0.4° |
| N4 | N5 | C26 | C27 | 90.0° | 54.9° |
| N4 | N5 | C29 | H25 | 90.0° | 180.0° |
| N4 | N5 | C26 | H26 | 90.0° | 65.0° |
| N4 | N5 | C26 | H27 | 90.0° | 175.0° |
| N5 | C29 | C30 | H25 | 90.0° | 179.5° |
| C29 | N5 | C26 | C27 | 90.0° | 125.3° |
| C29 | N5 | C26 | H26 | 90.0° | 114.7° |
| C29 | N5 | C26 | H27 | 90.0° | 5.3° |
| C30 | C29 | N5 | C26 | 90.0° | 179.8° |
| C29 | C30 | C25 | H23 | 90.0° | 4.7° |
| C29 | C30 | C25 | H24 | 90.0° | 115.3° |
| N5 | C26 | C27 | H26 | 90.0° | 120.0° |
| N5 | C26 | C27 | H27 | 90.0° | 120.1° |
| N5 | C26 | C27 | O3 | 90.0° | 180.0° |
| C26 | N5 | C29 | H25 | 90.0° | 0.3° |
| N5 | C26 | H26 | H27 | 90.0° | 120.0° |
| N5 | C26 | C27 | H28 | 90.0° | 60.0° |
| N5 | C26 | C27 | H29 | 90.0° | 59.9° |
| C26 | C27 | O3 | H28 | 90.0° | 120.0° |
| C26 | C27 | O3 | H29 | 90.0° | 120.1° |
| C26 | C27 | O3 | C28 | 90.0° | 180.0° |
| C27 | C26 | H26 | H27 | 90.0° | 120.0° |
| C26 | C27 | H28 | H29 | 90.0° | 120.0° |
| C27 | O3 | C28 | C31 | 90.0° | 180.0° |
| O3 | C27 | C26 | H26 | 90.0° | 60.0° |
| O3 | C27 | C26 | H27 | 90.0° | 59.9° |
| O3 | C27 | H28 | H29 | 90.0° | 119.9° |
| C27 | O3 | C28 | H30 | 90.0° | 60.0° |
| C27 | O3 | C28 | H31 | 90.0° | 60.0° |
| O3 | C28 | C31 | H30 | 90.0° | 120.0° |
| O3 | C28 | C31 | H31 | 90.0° | 120.0° |
| O3 | C28 | C31 | O4 | 90.0° | 65.0° |
| C28 | O3 | C27 | H28 | 90.0° | 60.0° |
| C28 | O3 | C27 | H29 | 90.0° | 59.9° |
| O3 | C28 | H30 | H31 | 90.0° | 120.0° |
| O3 | C28 | C31 | H32 | 90.0° | 175.0° |
| O3 | C28 | C31 | H33 | 90.0° | 55.0° |
| C28 | C31 | O4 | H32 | 90.0° | 120.0° |
| C28 | C31 | O4 | H33 | 90.0° | 120.1° |
| C28 | C31 | O4 | C32 | 90.0° | 180.0° |
| C31 | C28 | H30 | H31 | 90.0° | 120.0° |
| C28 | C31 | H32 | H33 | 90.0° | 120.1° |
| C31 | O4 | C32 | C33 | 90.0° | 180.0° |
| O4 | C31 | C28 | H30 | 90.0° | 55.0° |
| O4 | C31 | C28 | H31 | 90.0° | 175.0° |
| O4 | C31 | H32 | H33 | 90.0° | 119.9° |
| C31 | O4 | C32 | H34 | 90.0° | 60.0° |
| C31 | O4 | C32 | H35 | 90.0° | 60.0° |
| O4 | C32 | C33 | H34 | 90.0° | 120.0° |
| O4 | C32 | C33 | H35 | 90.0° | 120.0° |
| O4 | C32 | C33 | N7 | 90.0° | 180.0° |
| O4 | C32 | C33 | O5 | 90.0° | 0.0° |
| C32 | O4 | C31 | H32 | 90.0° | 60.0° |
| C32 | O4 | C31 | H33 | 90.0° | 60.0° |
| O4 | C32 | H34 | H35 | 90.0° | 119.9° |
| C32 | C33 | N7 | O5 | 90.0° | 180.0° |
| C32 | C33 | N7 | C34 | 90.0° | 174.8° |
| C33 | C32 | H34 | H35 | 90.0° | 120.1° |
| C32 | C33 | N7 | H36 | 90.0° | 5.1° |
| C33 | N7 | C34 | H36 | 90.0° | 180.0° |
| C33 | N7 | C34 | C35 | 90.0° | 152.8° |
| C33 | N7 | C34 | C39 | 90.0° | 27.4° |
| N7 | C33 | C32 | H34 | 90.0° | 60.0° |
| N7 | C33 | C32 | H35 | 90.0° | 60.0° |
| N7 | C34 | C35 | C39 | 90.0° | 179.8° |
| N7 | C34 | C35 | C36 | 90.0° | 180.0° |
| N7 | C34 | C39 | C37 | 90.0° | 179.8° |
| C34 | N7 | C33 | O5 | 90.0° | 5.2° |
| N7 | C34 | C35 | H37 | 90.0° | 0.0° |
| N7 | C34 | C39 | H39 | 90.0° | 0.2° |
| C34 | C35 | C36 | H37 | 90.0° | 180.0° |
| C34 | C35 | C36 | C42 | 90.0° | 0.0° |
| C35 | C34 | C39 | C37 | 90.0° | 0.5° |
| C35 | C34 | N7 | H36 | 90.0° | 27.2° |
| C34 | C35 | C36 | H38 | 90.0° | 180.0° |
| C35 | C34 | C39 | H39 | 90.0° | 180.0° |
| C35 | C36 | C42 | H38 | 90.0° | 180.0° |
| C35 | C36 | C42 | C37 | 90.0° | 0.0° |
| C36 | C35 | C34 | C39 | 90.0° | 0.2° |
| C35 | C36 | C42 | C41 | 90.0° | 180.0° |
| C36 | C42 | C37 | C41 | 90.0° | 180.0° |
| C36 | C42 | C37 | C39 | 90.0° | 0.2° |
| C36 | C42 | C37 | C38 | 90.0° | 180.0° |
| C36 | C42 | C41 | N8 | 90.0° | 180.0° |
| C36 | C42 | C41 | O6 | 90.0° | 0.1° |
| C42 | C36 | C35 | H37 | 90.0° | 180.0° |
| C42 | C37 | C39 | C38 | 90.0° | 179.7° |
| C42 | C37 | C39 | C34 | 90.0° | 0.4° |
| C42 | C37 | C38 | N8 | 90.0° | 0.0° |
| C37 | C42 | C41 | N8 | 90.0° | 0.0° |
| C37 | C42 | C41 | O6 | 90.0° | 180.0° |
| C42 | C37 | C38 | O7 | 90.0° | 180.0° |
| C37 | C42 | C36 | H38 | 90.0° | 180.0° |
| C42 | C37 | C39 | H39 | 90.0° | 180.0° |
| C37 | C39 | C34 | H39 | 90.0° | 179.6° |
| C39 | C37 | C38 | N8 | 90.0° | 179.8° |
| C39 | C37 | C42 | C41 | 90.0° | 179.8° |
| C39 | C37 | C38 | O7 | 90.0° | 0.3° |
| C34 | C39 | C37 | C38 | 90.0° | 179.8° |
| C39 | C34 | N7 | H36 | 90.0° | 152.6° |
| C39 | C34 | C35 | H37 | 90.0° | 179.7° |
| O5 | C33 | C32 | H34 | 90.0° | 120.0° |
| O5 | C33 | C32 | H35 | 90.0° | 120.0° |
| O5 | C33 | N7 | H36 | 90.0° | 174.8° |
| C37 | C38 | N8 | O7 | 90.0° | 179.9° |
| C37 | C38 | N8 | C41 | 90.0° | 0.1° |
| C38 | C37 | C42 | C41 | 90.0° | 0.0° |
| C37 | C38 | N8 | C40 | 90.0° | 179.9° |
| C38 | C37 | C39 | H39 | 90.0° | 0.3° |
| C38 | N8 | C41 | C40 | 90.0° | 179.9° |
| C38 | N8 | C41 | C42 | 90.0° | 0.1° |
| C38 | N8 | C41 | O6 | 90.0° | 180.0° |
| C38 | N8 | C40 | C43 | 90.0° | 66.8° |
| C38 | N8 | C40 | C49 | 90.0° | 173.6° |
| C38 | N8 | C40 | H40 | 90.0° | 53.4° |
| N8 | C41 | C42 | O6 | 90.0° | 179.9° |
| C41 | N8 | C38 | O7 | 90.0° | 180.0° |
| C41 | N8 | C40 | C43 | 90.0° | 113.4° |
| C41 | N8 | C40 | C49 | 90.0° | 6.2° |
| C41 | N8 | C40 | H40 | 90.0° | 126.4° |
| C42 | C41 | N8 | C40 | 90.0° | 179.9° |
| C41 | C42 | C36 | H38 | 90.0° | 0.0° |
| O6 | C41 | N8 | C40 | 90.0° | 0.1° |
| O7 | C38 | N8 | C40 | 90.0° | 0.1° |
| N8 | C40 | C43 | C49 | 90.0° | 119.8° |
| N8 | C40 | C43 | H40 | 90.0° | 120.2° |
| N8 | C40 | C43 | C44 | 90.0° | 64.2° |
| N8 | C40 | C49 | N9 | 90.0° | 90.8° |
| N8 | C40 | C49 | H40 | 90.0° | 120.2° |
| N8 | C40 | C49 | O8 | 90.0° | 89.2° |
| N8 | C40 | C43 | H41 | 90.0° | 176.0° |
| N8 | C40 | C43 | H42 | 90.0° | 55.5° |
| C40 | C43 | C44 | H41 | 90.0° | 119.8° |
| C40 | C43 | C44 | H42 | 90.0° | 119.7° |
| C40 | C43 | C44 | C45 | 90.0° | 55.6° |
| C43 | C40 | C49 | N9 | 90.0° | 29.1° |
| C43 | C40 | C49 | H40 | 90.0° | 119.9° |
| C43 | C40 | C49 | O8 | 90.0° | 150.9° |
| C40 | C43 | H41 | H42 | 90.0° | 120.5° |
| C40 | C43 | C44 | H43 | 90.0° | 175.5° |
| C40 | C43 | C44 | H44 | 90.0° | 64.2° |
| C43 | C44 | C45 | H43 | 90.0° | 119.9° |
| C43 | C44 | C45 | H44 | 90.0° | 119.9° |
| C43 | C44 | C45 | N9 | 90.0° | 29.1° |
| C44 | C43 | C40 | C49 | 90.0° | 55.6° |
| C43 | C44 | C45 | O9 | 90.0° | 150.9° |
| C44 | C43 | C40 | H40 | 90.0° | 175.6° |
| C44 | C43 | H41 | H42 | 90.0° | 120.4° |
| C43 | C44 | H43 | H44 | 90.0° | 120.2° |
| C44 | C45 | N9 | O9 | 90.0° | 180.0° |
| C44 | C45 | N9 | C49 | 90.0° | 0.5° |
| C45 | C44 | C43 | H41 | 90.0° | 64.1° |
| C45 | C44 | C43 | H42 | 90.0° | 175.4° |
| C45 | C44 | H43 | H44 | 90.0° | 120.1° |
| C44 | C45 | N9 | H45 | 90.0° | 179.5° |
| C45 | N9 | C49 | H45 | 90.0° | 180.0° |
| C45 | N9 | C49 | C40 | 90.0° | 0.5° |
| C45 | N9 | C49 | O8 | 90.0° | 179.5° |
| N9 | C45 | C44 | H43 | 90.0° | 149.0° |
| N9 | C45 | C44 | H44 | 90.0° | 90.8° |
| N9 | C49 | C40 | O8 | 90.0° | 180.0° |
| C49 | N9 | C45 | O9 | 90.0° | 179.4° |
| N9 | C49 | C40 | H40 | 90.0° | 149.0° |
| C49 | C40 | C43 | H41 | 90.0° | 64.1° |
| C49 | C40 | C43 | H42 | 90.0° | 175.3° |
| C40 | C49 | N9 | H45 | 90.0° | 179.5° |
| O8 | C49 | C40 | H40 | 90.0° | 31.0° |
| O8 | C49 | N9 | H45 | 90.0° | 0.5° |
| O9 | C45 | C44 | H43 | 90.0° | 31.0° |
| O9 | C45 | C44 | H44 | 90.0° | 89.2° |
| O9 | C45 | N9 | H45 | 90.0° | 0.5° |
| H19 | C24 | C25 | H23 | 90.0° | 180.0° |
| H19 | C24 | C25 | H24 | 90.0° | 60.0° |
| H22 | C24 | C25 | H23 | 90.0° | 59.9° |
| H22 | C24 | C25 | H24 | 90.0° | 180.0° |
| H26 | C26 | C27 | H28 | 90.0° | 180.0° |
| H26 | C26 | C27 | H29 | 90.0° | 60.0° |
| H27 | C26 | C27 | H28 | 90.0° | 60.1° |
| H27 | C26 | C27 | H29 | 90.0° | 180.0° |
| H30 | C28 | C31 | H32 | 90.0° | 65.0° |
| H30 | C28 | C31 | H33 | 90.0° | 175.0° |
| H31 | C28 | C31 | H32 | 90.0° | 55.0° |
| H31 | C28 | C31 | H33 | 90.0° | 65.0° |
| H37 | C35 | C36 | H38 | 90.0° | 0.0° |
| H40 | C40 | C43 | H41 | 90.0° | 55.8° |
| H40 | C40 | C43 | H42 | 90.0° | 64.7° |
| H41 | C43 | C44 | H43 | 90.0° | 55.7° |
| H41 | C43 | C44 | H44 | 90.0° | 176.0° |
| H42 | C43 | C44 | H43 | 90.0° | 64.8° |
| H42 | C43 | C44 | H44 | 90.0° | 55.5° |
