A1CMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C26 | sing | 1.35Å | 1.35Å | |
| C26 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.44Å | Aromatic |
| C24 | C30 | doub | 1.42Å | 1.45Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C31 | O33 | sing | 1.36Å | 1.35Å | |
| C31 | C32 | doub | 1.37Å | 1.41Å | Aromatic |
| O33 | C34 | sing | 1.43Å | 1.42Å | |
| C22 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C36 | N37 | sing | 1.46Å | 1.46Å | |
| C40 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C38 | N37 | sing | 1.38Å | 1.36Å | Aromatic |
| C38 | C44 | doub | 1.41Å | 1.42Å | Aromatic |
| N37 | C47 | sing | 1.38Å | 1.37Å | Aromatic |
| C41 | CL42 | sing | 1.74Å | 1.73Å | |
| C41 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| C19 | N51 | sing | 1.35Å | 1.34Å | Aromatic |
| C44 | C43 | sing | 1.42Å | 1.43Å | Aromatic |
| C44 | C45 | sing | 1.41Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C47 | C48 | sing | 1.47Å | 1.47Å | |
| C47 | C45 | doub | 1.37Å | 1.39Å | Aromatic |
| C43 | C12 | sing | 1.48Å | 1.49Å | |
| O49 | C48 | doub | 1.22Å | 1.23Å | |
| C48 | O50 | sing | 1.35Å | 1.29Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| N51 | C52 | sing | 1.46Å | 1.46Å | |
| N51 | N53 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C17 | N53 | doub | 1.31Å | 1.31Å | Aromatic |
| C17 | C16 | sing | 1.50Å | 1.50Å | |
| C12 | C10 | sing | 1.40Å | 1.44Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | N9 | doub | 1.31Å | 1.31Å | Aromatic |
| C16 | S15 | sing | 1.82Å | 1.85Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | N8 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | S15 | sing | 1.81Å | 1.84Å | |
| C1 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N9 | N8 | sing | 1.40Å | 1.37Å | Aromatic |
| N8 | C7 | sing | 1.46Å | 1.46Å | |
| O5 | C4 | sing | 1.43Å | 1.44Å | |
| O5 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| O50 | H40 | sing | 0.97Å | 0.95Å | |
| C52 | H41 | sing | 1.09Å | 1.10Å | |
| C52 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C26 | C28 | 117.3° | 119.4° |
| F27 | C26 | C25 | 120.2° | 119.7° |
| C28 | C26 | C25 | 122.5° | 120.9° |
| C26 | C28 | C29 | 119.8° | 120.9° |
| C26 | C28 | H35 | 120.1° | 119.8° |
| C26 | C25 | C24 | 120.0° | 119.5° |
| C26 | C25 | H34 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.4° | 119.7° |
| C29 | C28 | H35 | 120.1° | 119.3° |
| C28 | C29 | H36 | 119.8° | 120.0° |
| C25 | C24 | C30 | 118.2° | 119.5° |
| C25 | C24 | C23 | 122.3° | 121.0° |
| C24 | C25 | H34 | 120.0° | 120.4° |
| C29 | C30 | C24 | 119.0° | 119.5° |
| C29 | C30 | C31 | 122.4° | 121.2° |
| C30 | C29 | H36 | 119.8° | 120.3° |
| C30 | C24 | C23 | 119.5° | 119.5° |
| C24 | C30 | C31 | 118.5° | 119.3° |
| C24 | C23 | C22 | 120.5° | 119.7° |
| C24 | C23 | H20 | 119.8° | 120.1° |
| C30 | C31 | O33 | 117.0° | 120.1° |
| C30 | C31 | C32 | 119.7° | 119.3° |
| C23 | C22 | C32 | 121.1° | 121.1° |
| C23 | C22 | C21 | 121.8° | 118.9° |
| C22 | C23 | H20 | 119.8° | 120.2° |
| O33 | C31 | C32 | 123.3° | 120.6° |
| C31 | O33 | C34 | 119.5° | 117.4° |
| C31 | C32 | C22 | 120.6° | 121.1° |
| C31 | C32 | H21 | 119.7° | 119.5° |
| O33 | C34 | C35 | 110.0° | 109.4° |
| O33 | C34 | H22 | 109.3° | 109.5° |
| O33 | C34 | H23 | 109.3° | 109.6° |
| C32 | C22 | C21 | 117.1° | 120.0° |
| C22 | C32 | H21 | 119.7° | 119.4° |
| C22 | C21 | C20 | 106.6° | 109.9° |
| C22 | C21 | H18 | 110.2° | 109.3° |
| C22 | C21 | H19 | 110.2° | 109.5° |
| C21 | C20 | C19 | 114.3° | 108.6° |
| C20 | C21 | H18 | 110.2° | 109.4° |
| C20 | C21 | H19 | 110.2° | 109.3° |
| C21 | C20 | H32 | 108.2° | 109.7° |
| C21 | C20 | H33 | 108.2° | 109.3° |
| C34 | C35 | C36 | 111.1° | 109.3° |
| C35 | C34 | H22 | 109.3° | 109.6° |
| C35 | C34 | H23 | 109.3° | 109.4° |
| C34 | C35 | H24 | 109.1° | 109.8° |
| C34 | C35 | H25 | 109.1° | 109.5° |
| C40 | C39 | C38 | 117.5° | 119.7° |
| C39 | C40 | C41 | 121.5° | 120.6° |
| C40 | C39 | H28 | 121.2° | 120.3° |
| C39 | C40 | H29 | 119.3° | 120.0° |
| C39 | C38 | N37 | 130.1° | 132.3° |
| C39 | C38 | C44 | 121.6° | 120.1° |
| C38 | C39 | H28 | 121.2° | 120.0° |
| C35 | C36 | N37 | 115.7° | 109.6° |
| C36 | C35 | H24 | 109.1° | 109.4° |
| C36 | C35 | H25 | 109.1° | 109.5° |
| C35 | C36 | H26 | 107.9° | 109.1° |
| C35 | C36 | H27 | 107.9° | 109.5° |
| C36 | N37 | C38 | 124.9° | 124.8° |
| C36 | N37 | C47 | 125.5° | 126.9° |
| N37 | C36 | H26 | 107.9° | 109.5° |
| N37 | C36 | H27 | 107.9° | 110.3° |
| C40 | C41 | CL42 | 117.7° | 119.0° |
| C40 | C41 | C43 | 122.7° | 121.2° |
| C41 | C40 | H29 | 119.2° | 119.4° |
| C20 | C19 | C18 | 127.9° | 125.0° |
| C20 | C19 | N51 | 124.3° | 127.2° |
| C19 | C20 | H32 | 108.2° | 109.7° |
| C19 | C20 | H33 | 108.3° | 110.4° |
| N37 | C38 | C44 | 108.3° | 107.6° |
| C38 | N37 | C47 | 109.1° | 108.2° |
| C38 | C44 | C43 | 120.1° | 119.0° |
| C38 | C44 | C45 | 106.6° | 106.5° |
| N37 | C47 | C48 | 123.2° | 126.4° |
| N37 | C47 | C45 | 109.9° | 109.0° |
| CL42 | C41 | C43 | 119.6° | 119.9° |
| C41 | C43 | C44 | 116.5° | 118.8° |
| C41 | C43 | C12 | 122.3° | 121.0° |
| C18 | C19 | N51 | 107.8° | 107.8° |
| C19 | C18 | C17 | 105.5° | 108.0° |
| C19 | C18 | H17 | 127.3° | 126.3° |
| C19 | N51 | C52 | 126.7° | 126.4° |
| C19 | N51 | N53 | 109.5° | 107.8° |
| C43 | C44 | C45 | 133.3° | 134.5° |
| C44 | C43 | C12 | 121.1° | 120.2° |
| C44 | C45 | C47 | 106.1° | 107.9° |
| C44 | C45 | C46 | 127.8° | 127.5° |
| C18 | C17 | N53 | 109.6° | 108.0° |
| C18 | C17 | C16 | 130.4° | 125.9° |
| C17 | C18 | H17 | 127.3° | 125.7° |
| C48 | C47 | C45 | 126.8° | 124.6° |
| C47 | C48 | O49 | 121.0° | 120.0° |
| C47 | C48 | O50 | 122.2° | 120.0° |
| C47 | C45 | C46 | 126.1° | 124.6° |
| C43 | C12 | C10 | 123.2° | 128.5° |
| C43 | C12 | C13 | 131.1° | 124.5° |
| O49 | C48 | O50 | 116.6° | 120.0° |
| C48 | O50 | H40 | 109.5° | 117.0° |
| C45 | C46 | H37 | 109.5° | 109.5° |
| C45 | C46 | H38 | 109.4° | 109.5° |
| C45 | C46 | H39 | 109.5° | 109.5° |
| C52 | N51 | N53 | 123.8° | 125.8° |
| N51 | C52 | H41 | 109.5° | 109.5° |
| N51 | C52 | H42 | 109.5° | 109.4° |
| N51 | C52 | H43 | 109.5° | 109.4° |
| N51 | N53 | C17 | 107.5° | 108.4° |
| C11 | C10 | C12 | 128.0° | 126.4° |
| C11 | C10 | N9 | 123.2° | 124.8° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.4° | 109.4° |
| N53 | C17 | C16 | 120.0° | 126.1° |
| C17 | C16 | S15 | 111.6° | 109.2° |
| C17 | C16 | H15 | 108.9° | 109.3° |
| C17 | C16 | H16 | 108.9° | 109.9° |
| C10 | C12 | C13 | 105.6° | 107.0° |
| C12 | C10 | N9 | 108.7° | 108.8° |
| C12 | C13 | C14 | 127.8° | 125.3° |
| C12 | C13 | N8 | 108.1° | 107.6° |
| C10 | N9 | N8 | 108.0° | 108.4° |
| C16 | S15 | C14 | 104.3° | 103.0° |
| S15 | C16 | H15 | 108.9° | 109.1° |
| S15 | C16 | H16 | 108.9° | 109.6° |
| C14 | C13 | N8 | 124.1° | 127.0° |
| C13 | C14 | S15 | 112.2° | 110.0° |
| C13 | C14 | H30 | 108.8° | 109.8° |
| C13 | C14 | H31 | 108.8° | 109.5° |
| C13 | N8 | N9 | 109.6° | 108.2° |
| C13 | N8 | C7 | 128.4° | 127.1° |
| S15 | C14 | H30 | 108.8° | 109.4° |
| S15 | C14 | H31 | 108.8° | 109.2° |
| C1 | O2 | C3 | 115.1° | 114.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.4° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O2 | C3 | C4 | 106.5° | 109.5° |
| O2 | C3 | H4 | 110.2° | 109.4° |
| O2 | C3 | H5 | 110.2° | 109.5° |
| C3 | C4 | O5 | 108.5° | 109.4° |
| C4 | C3 | H4 | 110.2° | 109.5° |
| C4 | C3 | H5 | 110.2° | 109.5° |
| C3 | C4 | H6 | 109.7° | 109.4° |
| C3 | C4 | H7 | 109.7° | 109.5° |
| N9 | N8 | C7 | 122.0° | 124.7° |
| N8 | C7 | C6 | 113.0° | 109.5° |
| N8 | C7 | H10 | 108.6° | 109.4° |
| N8 | C7 | H11 | 108.6° | 109.4° |
| C4 | O5 | C6 | 112.2° | 114.0° |
| O5 | C4 | H6 | 109.7° | 109.5° |
| O5 | C4 | H7 | 109.7° | 109.5° |
| O5 | C6 | C7 | 109.1° | 109.5° |
| O5 | C6 | H8 | 109.6° | 109.4° |
| O5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C6 | H8 | 109.5° | 109.5° |
| C7 | C6 | H9 | 109.6° | 109.5° |
| C6 | C7 | H10 | 108.6° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.7° |
| H18 | C21 | H19 | 109.4° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.3° |
| H24 | C35 | H25 | 109.5° | 109.3° |
| H26 | C36 | H27 | 109.5° | 108.8° |
| H30 | C14 | H31 | 109.5° | 109.0° |
| H32 | C20 | H33 | 109.5° | 109.2° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H39 | 109.5° | 109.5° |
| H38 | C46 | H39 | 109.4° | 109.5° |
| H41 | C52 | H42 | 109.5° | 109.5° |
| H41 | C52 | H43 | 109.5° | 109.5° |
| H42 | C52 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C26 | C28 | C25 | 178.8° | 180.0° |
| F27 | C26 | C28 | C29 | 179.0° | 180.0° |
| F27 | C26 | C25 | C24 | 178.6° | 180.0° |
| F27 | C26 | C25 | H34 | 1.4° | 0.2° |
| F27 | C26 | C28 | H35 | 1.0° | 0.1° |
| C26 | C28 | C29 | H35 | 180.0° | 179.9° |
| C28 | C26 | C25 | C24 | 0.2° | 0.0° |
| C26 | C28 | C29 | C30 | 3.9° | 0.1° |
| C28 | C26 | C25 | H34 | 179.8° | 179.8° |
| C26 | C28 | C29 | H36 | 176.1° | 180.0° |
| C25 | C26 | C28 | C29 | 2.2° | 0.0° |
| C26 | C25 | C24 | H34 | 180.0° | 179.8° |
| C26 | C25 | C24 | C30 | 0.8° | 0.1° |
| C26 | C25 | C24 | C23 | 178.1° | 179.9° |
| C25 | C26 | C28 | H35 | 177.8° | 179.9° |
| C28 | C29 | C30 | H36 | 180.0° | 179.9° |
| C28 | C29 | C30 | C24 | 3.3° | 0.2° |
| C28 | C29 | C30 | C31 | 177.1° | 179.7° |
| C25 | C24 | C30 | C29 | 0.9° | 0.2° |
| C25 | C24 | C30 | C23 | 178.9° | 179.8° |
| C25 | C24 | C30 | C31 | 179.4° | 179.7° |
| C25 | C24 | C23 | C22 | 177.4° | 179.8° |
| C25 | C24 | C23 | H20 | 2.6° | 0.4° |
| C29 | C30 | C24 | C31 | 179.7° | 179.9° |
| C29 | C30 | C24 | C23 | 179.8° | 179.9° |
| C29 | C30 | C31 | O33 | 0.7° | 0.2° |
| C29 | C30 | C31 | C32 | 179.9° | 180.0° |
| C30 | C29 | C28 | H35 | 176.1° | 179.8° |
| C30 | C24 | C23 | C22 | 1.5° | 0.0° |
| C24 | C30 | C31 | O33 | 179.0° | 179.9° |
| C24 | C30 | C31 | C32 | 0.4° | 0.1° |
| C30 | C24 | C23 | H20 | 178.5° | 179.8° |
| C30 | C24 | C25 | H34 | 179.2° | 179.9° |
| C24 | C30 | C29 | H36 | 176.7° | 179.9° |
| C23 | C24 | C30 | C31 | 0.5° | 0.2° |
| C24 | C23 | C22 | H20 | 180.0° | 179.8° |
| C24 | C23 | C22 | C32 | 3.7° | 0.2° |
| C24 | C23 | C22 | C21 | 177.0° | 179.9° |
| C23 | C24 | C25 | H34 | 1.9° | 0.2° |
| C30 | C31 | O33 | C32 | 179.3° | 179.8° |
| C30 | C31 | O33 | C34 | 179.0° | 126.1° |
| C30 | C31 | C32 | C22 | 1.7° | 0.2° |
| C30 | C31 | C32 | H21 | 178.3° | 179.5° |
| C31 | C30 | C29 | H36 | 2.9° | 0.2° |
| C23 | C22 | C32 | C31 | 3.8° | 0.3° |
| C23 | C22 | C32 | C21 | 179.3° | 179.8° |
| C23 | C22 | C21 | C20 | 96.4° | 116.6° |
| C23 | C22 | C21 | H18 | 144.0° | 3.5° |
| C23 | C22 | C21 | H19 | 23.1° | 123.3° |
| C23 | C22 | C32 | H21 | 176.2° | 179.3° |
| O33 | C31 | C32 | C22 | 179.0° | 179.7° |
| C31 | O33 | C34 | C35 | 176.2° | 146.0° |
| O33 | C31 | C32 | H21 | 1.0° | 0.7° |
| C31 | O33 | C34 | H22 | 63.7° | 25.9° |
| C31 | O33 | C34 | H23 | 56.1° | 94.1° |
| C32 | C31 | O33 | C34 | 0.3° | 53.8° |
| C31 | C32 | C22 | H21 | 180.0° | 179.6° |
| C31 | C32 | C22 | C21 | 176.9° | 179.9° |
| O33 | C34 | C35 | H22 | 120.1° | 120.1° |
| O33 | C34 | C35 | H23 | 120.1° | 120.1° |
| O33 | C34 | C35 | C36 | 67.8° | 157.0° |
| O33 | C34 | H22 | H23 | 119.7° | 120.1° |
| O33 | C34 | C35 | H24 | 52.5° | 83.0° |
| O33 | C34 | C35 | H25 | 172.0° | 37.0° |
| C32 | C22 | C21 | C20 | 84.3° | 63.2° |
| C32 | C22 | C21 | H18 | 35.3° | 176.7° |
| C32 | C22 | C21 | H19 | 156.2° | 56.8° |
| C32 | C22 | C23 | H20 | 176.3° | 179.9° |
| C22 | C21 | C20 | H18 | 119.6° | 120.0° |
| C22 | C21 | C20 | H19 | 119.6° | 120.2° |
| C22 | C21 | C20 | C19 | 98.9° | 146.9° |
| C22 | C21 | H18 | H19 | 121.3° | 119.8° |
| C21 | C22 | C23 | H20 | 3.0° | 0.1° |
| C21 | C22 | C32 | H21 | 3.1° | 0.5° |
| C22 | C21 | C20 | H32 | 140.4° | 27.1° |
| C22 | C21 | C20 | H33 | 21.9° | 92.5° |
| C21 | C20 | C19 | H32 | 120.7° | 119.8° |
| C21 | C20 | C19 | H33 | 120.7° | 119.9° |
| C21 | C20 | C19 | C18 | 100.7° | 68.6° |
| C21 | C20 | C19 | N51 | 82.2° | 111.7° |
| C20 | C21 | H18 | H19 | 121.3° | 119.7° |
| C21 | C20 | H32 | H33 | 117.8° | 119.8° |
| C34 | C35 | C36 | H24 | 120.3° | 120.3° |
| C34 | C35 | C36 | H25 | 120.2° | 119.9° |
| C34 | C35 | C36 | N37 | 62.4° | 91.3° |
| C35 | C34 | H22 | H23 | 119.8° | 119.9° |
| C34 | C35 | H24 | H25 | 119.3° | 120.1° |
| C34 | C35 | C36 | H26 | 58.5° | 148.8° |
| C34 | C35 | C36 | H27 | 176.7° | 29.8° |
| C40 | C39 | C38 | H28 | 180.0° | 179.6° |
| C39 | C40 | C41 | H29 | 180.0° | 179.5° |
| C40 | C39 | C38 | N37 | 179.2° | 177.5° |
| C40 | C39 | C38 | C44 | 1.0° | 5.0° |
| C39 | C40 | C41 | CL42 | 179.6° | 178.3° |
| C39 | C40 | C41 | C43 | 0.6° | 1.9° |
| C39 | C38 | N37 | C36 | 6.8° | 10.2° |
| C38 | C39 | C40 | C41 | 0.8° | 0.8° |
| C39 | C38 | N37 | C44 | 179.8° | 177.8° |
| C39 | C38 | N37 | C47 | 179.5° | 169.2° |
| C39 | C38 | C44 | C43 | 1.1° | 9.6° |
| C39 | C38 | C44 | C45 | 179.9° | 169.2° |
| C38 | C39 | C40 | H29 | 179.2° | 178.7° |
| C35 | C36 | N37 | H26 | 120.9° | 119.7° |
| C35 | C36 | N37 | H27 | 120.9° | 120.6° |
| C35 | C36 | N37 | C38 | 101.9° | 86.2° |
| C35 | C36 | N37 | C47 | 86.6° | 94.5° |
| C36 | C35 | C34 | H22 | 172.1° | 83.0° |
| C36 | C35 | C34 | H23 | 52.3° | 36.9° |
| C36 | C35 | H24 | H25 | 119.2° | 119.9° |
| C35 | C36 | H26 | H27 | 117.2° | 119.4° |
| C36 | N37 | C38 | C47 | 172.7° | 179.4° |
| C36 | N37 | C38 | C44 | 173.0° | 172.0° |
| C36 | N37 | C47 | C48 | 9.5° | 4.2° |
| C36 | N37 | C47 | C45 | 173.2° | 175.7° |
| N37 | C36 | C35 | H24 | 177.3° | 29.0° |
| N37 | C36 | C35 | H25 | 57.8° | 148.7° |
| N37 | C36 | H26 | H27 | 117.2° | 120.6° |
| C40 | C41 | CL42 | C43 | 179.1° | 179.8° |
| C40 | C41 | C43 | C44 | 0.6° | 2.8° |
| C40 | C41 | C43 | C12 | 176.9° | 177.9° |
| C41 | C40 | C39 | H28 | 179.2° | 179.6° |
| C20 | C19 | C18 | N51 | 177.4° | 179.7° |
| C20 | C19 | C18 | C17 | 179.0° | 179.7° |
| C20 | C19 | N51 | C52 | 2.6° | 0.3° |
| C20 | C19 | N51 | N53 | 179.4° | 179.5° |
| C20 | C19 | C18 | H17 | 1.1° | 0.7° |
| C19 | C20 | C21 | H18 | 20.7° | 93.1° |
| C19 | C20 | C21 | H19 | 141.6° | 26.8° |
| C19 | C20 | H32 | H33 | 117.8° | 121.1° |
| N37 | C38 | C44 | C43 | 179.1° | 172.3° |
| N37 | C38 | C44 | C45 | 0.1° | 8.9° |
| C38 | N37 | C47 | C48 | 177.8° | 175.2° |
| C38 | N37 | C47 | C45 | 0.5° | 5.0° |
| C38 | N37 | C36 | H26 | 19.0° | 33.4° |
| C38 | N37 | C36 | H27 | 137.2° | 153.2° |
| N37 | C38 | C39 | H28 | 0.8° | 3.0° |
| C44 | C38 | N37 | C47 | 0.3° | 8.6° |
| C38 | C44 | C43 | C41 | 0.9° | 8.4° |
| C38 | C44 | C43 | C45 | 178.7° | 178.4° |
| C38 | C44 | C45 | C47 | 0.4° | 5.9° |
| C38 | C44 | C43 | C12 | 177.2° | 172.3° |
| C38 | C44 | C45 | C46 | 177.0° | 173.7° |
| C44 | C38 | C39 | H28 | 179.0° | 174.6° |
| N37 | C47 | C45 | C44 | 0.6° | 0.6° |
| N37 | C47 | C48 | C45 | 176.8° | 179.8° |
| N37 | C47 | C48 | O49 | 41.0° | 179.9° |
| N37 | C47 | C48 | O50 | 143.2° | 0.0° |
| N37 | C47 | C45 | C46 | 176.9° | 178.9° |
| C47 | N37 | C36 | H26 | 152.6° | 145.8° |
| C47 | N37 | C36 | H27 | 34.3° | 26.1° |
| CL42 | C41 | C43 | C44 | 179.6° | 177.0° |
| CL42 | C41 | C43 | C12 | 4.1° | 2.3° |
| CL42 | C41 | C40 | H29 | 0.3° | 2.2° |
| C41 | C43 | C44 | C12 | 176.3° | 179.3° |
| C41 | C43 | C44 | C45 | 179.5° | 170.0° |
| C41 | C43 | C12 | C10 | 104.6° | 60.6° |
| C41 | C43 | C12 | C13 | 79.5° | 117.5° |
| C43 | C41 | C40 | H29 | 179.4° | 177.6° |
| C19 | C18 | C17 | H17 | 180.0° | 179.6° |
| C18 | C19 | N51 | C52 | 179.9° | 180.0° |
| C18 | C19 | N51 | N53 | 1.9° | 0.2° |
| C19 | C18 | C17 | N53 | 0.7° | 0.1° |
| C19 | C18 | C17 | C16 | 179.4° | 179.4° |
| C18 | C19 | C20 | H32 | 138.5° | 51.2° |
| C18 | C19 | C20 | H33 | 20.0° | 171.6° |
| N51 | C19 | C18 | C17 | 1.5° | 0.1° |
| C19 | N51 | C52 | N53 | 177.7° | 179.8° |
| C19 | N51 | N53 | C17 | 1.4° | 0.3° |
| N51 | C19 | C18 | H17 | 178.5° | 179.5° |
| N51 | C19 | C20 | H32 | 38.5° | 128.5° |
| N51 | C19 | C20 | H33 | 157.0° | 8.1° |
| C19 | N51 | C52 | H41 | 177.7° | 90.0° |
| C19 | N51 | C52 | H42 | 57.7° | 150.0° |
| C19 | N51 | C52 | H43 | 62.3° | 30.0° |
| C43 | C44 | C45 | C47 | 179.2° | 175.6° |
| C43 | C44 | C45 | C46 | 1.8° | 4.9° |
| C44 | C43 | C12 | C10 | 71.5° | 118.6° |
| C44 | C43 | C12 | C13 | 104.4° | 63.3° |
| C44 | C45 | C47 | C48 | 177.7° | 179.2° |
| C44 | C45 | C47 | C46 | 177.4° | 179.6° |
| C45 | C44 | C43 | C12 | 4.1° | 9.3° |
| C44 | C45 | C46 | H37 | 91.6° | 90.0° |
| C44 | C45 | C46 | H38 | 148.4° | 150.0° |
| C44 | C45 | C46 | H39 | 28.4° | 30.0° |
| C18 | C17 | N53 | N51 | 0.4° | 0.3° |
| C18 | C17 | N53 | C16 | 179.9° | 179.5° |
| C18 | C17 | C16 | S15 | 112.1° | 58.6° |
| C18 | C17 | C16 | H15 | 8.2° | 60.8° |
| C18 | C17 | C16 | H16 | 127.6° | 178.9° |
| C47 | C48 | O49 | O50 | 176.0° | 179.9° |
| C48 | C47 | C45 | C46 | 0.3° | 1.2° |
| C47 | C48 | O50 | H40 | 176.0° | 180.0° |
| C45 | C47 | C48 | O49 | 135.8° | 0.3° |
| C45 | C47 | C48 | O50 | 40.0° | 179.8° |
| C47 | C45 | C46 | H37 | 91.5° | 89.5° |
| C47 | C45 | C46 | H38 | 28.5° | 30.6° |
| C47 | C45 | C46 | H39 | 148.5° | 150.6° |
| C43 | C12 | C10 | C11 | 3.0° | 2.5° |
| C43 | C12 | C10 | C13 | 176.8° | 178.4° |
| C43 | C12 | C10 | N9 | 177.6° | 178.0° |
| C43 | C12 | C13 | C14 | 5.5° | 2.5° |
| C43 | C12 | C13 | N8 | 177.4° | 178.1° |
| O49 | C48 | O50 | H40 | 0.0° | 0.1° |
| C45 | C46 | H37 | H38 | 120.0° | 120.0° |
| C45 | C46 | H37 | H39 | 120.0° | 120.0° |
| C45 | C46 | H38 | H39 | 120.0° | 120.0° |
| C52 | N51 | N53 | C17 | 179.5° | 179.9° |
| N51 | C52 | H41 | H42 | 120.0° | 120.0° |
| N51 | C52 | H41 | H43 | 120.0° | 120.0° |
| N51 | C52 | H42 | H43 | 120.0° | 120.0° |
| N51 | N53 | C17 | C16 | 179.5° | 179.3° |
| N53 | N51 | C52 | H41 | 0.0° | 89.8° |
| N53 | N51 | C52 | H42 | 120.0° | 30.2° |
| N53 | N51 | C52 | H43 | 120.0° | 150.2° |
| C11 | C10 | C12 | N9 | 179.3° | 179.5° |
| C11 | C10 | C12 | C13 | 179.8° | 179.1° |
| C11 | C10 | N9 | N8 | 179.7° | 179.2° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| N53 | C17 | C16 | S15 | 67.8° | 122.0° |
| N53 | C17 | C16 | H15 | 171.8° | 118.7° |
| N53 | C17 | C16 | H16 | 52.5° | 1.7° |
| N53 | C17 | C18 | H17 | 179.3° | 179.7° |
| C17 | C16 | S15 | H15 | 120.3° | 119.4° |
| C17 | C16 | S15 | H16 | 120.3° | 120.5° |
| C17 | C16 | S15 | C14 | 70.5° | 102.0° |
| C17 | C16 | H15 | H16 | 119.0° | 120.5° |
| C16 | C17 | C18 | H17 | 0.6° | 0.2° |
| C10 | C12 | C13 | C14 | 178.1° | 179.1° |
| C10 | C12 | C13 | N8 | 1.0° | 0.3° |
| C12 | C10 | N9 | N8 | 0.3° | 0.3° |
| C12 | C10 | C11 | H12 | 179.3° | 90.0° |
| C12 | C10 | C11 | H13 | 59.2° | 150.0° |
| C12 | C10 | C11 | H14 | 60.7° | 30.0° |
| C13 | C12 | C10 | N9 | 0.8° | 0.4° |
| C12 | C13 | C14 | N8 | 176.6° | 179.3° |
| C12 | C13 | C14 | S15 | 96.0° | 128.3° |
| C12 | C13 | N8 | N9 | 0.9° | 0.1° |
| C12 | C13 | N8 | C7 | 178.4° | 179.7° |
| C12 | C13 | C14 | H30 | 24.4° | 111.3° |
| C12 | C13 | C14 | H31 | 143.6° | 8.3° |
| C10 | N9 | N8 | C13 | 0.3° | 0.1° |
| C10 | N9 | N8 | C7 | 178.0° | 179.5° |
| N9 | C10 | C11 | H12 | 0.0° | 89.5° |
| N9 | C10 | C11 | H13 | 120.0° | 30.5° |
| N9 | C10 | C11 | H14 | 120.0° | 150.5° |
| C16 | S15 | C14 | C13 | 88.9° | 116.0° |
| S15 | C16 | H15 | H16 | 119.0° | 120.1° |
| C16 | S15 | C14 | H30 | 31.5° | 4.6° |
| C16 | S15 | C14 | H31 | 150.7° | 123.8° |
| C13 | C14 | S15 | H30 | 120.4° | 120.6° |
| C13 | C14 | S15 | H31 | 120.4° | 120.2° |
| C14 | C13 | N8 | N9 | 178.1° | 179.3° |
| C14 | C13 | N8 | C7 | 4.5° | 0.3° |
| C13 | C14 | H30 | H31 | 118.7° | 119.9° |
| N8 | C13 | C14 | S15 | 87.4° | 52.4° |
| C13 | N8 | N9 | C7 | 177.7° | 179.6° |
| C13 | N8 | C7 | C6 | 97.9° | 89.5° |
| C13 | N8 | C7 | H10 | 141.6° | 150.4° |
| C13 | N8 | C7 | H11 | 22.7° | 30.4° |
| N8 | C13 | C14 | H30 | 152.2° | 68.0° |
| N8 | C13 | C14 | H31 | 33.0° | 172.4° |
| C14 | S15 | C16 | H15 | 49.9° | 17.4° |
| C14 | S15 | C16 | H16 | 169.2° | 137.6° |
| S15 | C14 | H30 | H31 | 118.7° | 119.3° |
| C1 | O2 | C3 | C4 | 165.0° | 180.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O2 | C3 | H4 | 45.5° | 60.0° |
| C1 | O2 | C3 | H5 | 75.5° | 60.0° |
| O2 | C3 | C4 | H4 | 119.5° | 120.0° |
| O2 | C3 | C4 | H5 | 119.6° | 120.0° |
| O2 | C3 | C4 | O5 | 70.3° | 65.0° |
| C3 | O2 | C1 | H1 | 180.0° | 60.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.0° |
| C3 | O2 | C1 | H3 | 60.0° | 180.0° |
| O2 | C3 | H4 | H5 | 121.4° | 120.0° |
| O2 | C3 | C4 | H6 | 49.5° | 175.0° |
| O2 | C3 | C4 | H7 | 169.8° | 55.0° |
| C3 | C4 | O5 | H6 | 119.9° | 120.0° |
| C3 | C4 | O5 | H7 | 119.9° | 120.0° |
| C3 | C4 | O5 | C6 | 170.1° | 180.0° |
| C4 | C3 | H4 | H5 | 121.4° | 120.0° |
| C3 | C4 | H6 | H7 | 120.5° | 120.0° |
| N9 | N8 | C7 | C6 | 84.9° | 90.0° |
| N9 | N8 | C7 | H10 | 35.6° | 30.0° |
| N9 | N8 | C7 | H11 | 154.5° | 150.0° |
| N8 | C7 | C6 | O5 | 65.7° | 180.0° |
| N8 | C7 | C6 | H10 | 120.5° | 120.0° |
| N8 | C7 | C6 | H11 | 120.5° | 120.0° |
| N8 | C7 | C6 | H8 | 174.3° | 60.0° |
| N8 | C7 | C6 | H9 | 54.2° | 60.0° |
| N8 | C7 | H10 | H11 | 118.3° | 120.0° |
| C4 | O5 | C6 | C7 | 175.7° | 180.0° |
| O5 | C4 | C3 | H4 | 170.1° | 175.0° |
| O5 | C4 | C3 | H5 | 49.2° | 55.0° |
| O5 | C4 | H6 | H7 | 120.4° | 120.0° |
| C4 | O5 | C6 | H8 | 55.8° | 60.0° |
| C4 | O5 | C6 | H9 | 64.3° | 60.0° |
| O5 | C6 | C7 | H8 | 120.0° | 120.0° |
| O5 | C6 | C7 | H9 | 119.9° | 120.0° |
| C6 | O5 | C4 | H6 | 70.1° | 60.0° |
| C6 | O5 | C4 | H7 | 50.2° | 60.0° |
| O5 | C6 | H8 | H9 | 120.1° | 120.0° |
| O5 | C6 | C7 | H10 | 173.8° | 60.0° |
| O5 | C6 | C7 | H11 | 54.8° | 60.0° |
| C7 | C6 | H8 | H9 | 120.2° | 120.0° |
| C6 | C7 | H10 | H11 | 118.4° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H6 | 70.0° | 55.0° |
| H4 | C3 | C4 | H7 | 50.3° | 65.0° |
| H5 | C3 | C4 | H6 | 169.1° | 65.0° |
| H5 | C3 | C4 | H7 | 70.6° | 175.0° |
| H8 | C6 | C7 | H10 | 53.8° | 60.0° |
| H8 | C6 | C7 | H11 | 65.1° | 180.0° |
| H9 | C6 | C7 | H10 | 66.3° | 180.0° |
| H9 | C6 | C7 | H11 | 174.8° | 59.9° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H18 | C21 | C20 | H32 | 100.0° | 147.1° |
| H18 | C21 | C20 | H33 | 141.4° | 27.5° |
| H19 | C21 | C20 | H32 | 20.9° | 93.1° |
| H19 | C21 | C20 | H33 | 97.7° | 147.3° |
| H22 | C34 | C35 | H24 | 67.6° | 37.1° |
| H22 | C34 | C35 | H25 | 51.9° | 157.1° |
| H23 | C34 | C35 | H24 | 172.6° | 156.9° |
| H23 | C34 | C35 | H25 | 67.9° | 83.1° |
| H24 | C35 | C36 | H26 | 61.8° | 90.9° |
| H24 | C35 | C36 | H27 | 56.4° | 150.1° |
| H25 | C35 | C36 | H26 | 178.7° | 28.8° |
| H25 | C35 | C36 | H27 | 63.1° | 90.2° |
| H28 | C39 | C40 | H29 | 0.8° | 0.9° |
| H35 | C28 | C29 | H36 | 3.9° | 0.1° |
| H37 | C46 | H38 | H39 | 120.0° | 120.0° |
| H41 | C52 | H42 | H43 | 120.0° | 120.1° |
