A1JA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C16 | sing | 1.45Å | 1.44Å | |
| O15 | C14 | sing | 1.34Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | O17 | doub | 1.21Å | 1.19Å | |
| C12 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | N9 | sing | 1.47Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N9 | C19 | sing | 1.47Å | 1.50Å | |
| N9 | C8 | sing | 1.47Å | 1.51Å | |
| CL1 | C2 | sing | 1.74Å | 1.74Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | CL37 | sing | 1.74Å | 1.74Å | |
| C34 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | N23 | sing | 1.47Å | 1.50Å | |
| C22 | N23 | sing | 1.47Å | 1.51Å | |
| C32 | C26 | sing | 1.53Å | 1.53Å | |
| N23 | C24 | sing | 1.47Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | O31 | doub | 1.21Å | 1.20Å | |
| C28 | O29 | sing | 1.34Å | 1.33Å | |
| O29 | C30 | sing | 1.45Å | 1.46Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C16 | H16C | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30C | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O15 | C14 | 114.8° | 117.0° |
| O15 | C16 | H16A | 109.5° | 109.5° |
| O15 | C16 | H16B | 109.4° | 109.5° |
| O15 | C16 | H16C | 109.5° | 109.5° |
| O15 | C14 | C13 | 111.5° | 120.0° |
| O15 | C14 | O17 | 123.4° | 120.1° |
| C14 | C13 | C12 | 116.8° | 109.5° |
| C13 | C14 | O17 | 125.1° | 120.0° |
| C14 | C13 | H13B | 107.6° | 109.4° |
| C14 | C13 | H13A | 107.6° | 109.5° |
| C13 | C12 | C11 | 111.3° | 109.5° |
| C13 | C12 | C18 | 113.3° | 109.5° |
| C12 | C13 | H13B | 107.6° | 109.5° |
| C12 | C13 | H13A | 107.6° | 109.5° |
| C13 | C12 | H12 | 107.5° | 109.5° |
| C12 | C11 | C10 | 109.9° | 109.3° |
| C11 | C12 | C18 | 109.5° | 109.2° |
| C12 | C11 | H11A | 109.4° | 109.5° |
| C12 | C11 | H11B | 109.4° | 109.5° |
| C11 | C12 | H12 | 107.6° | 109.5° |
| C11 | C10 | N9 | 109.5° | 109.5° |
| C11 | C10 | H10B | 109.4° | 109.4° |
| C11 | C10 | H10A | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.4° | 109.5° |
| C10 | C11 | H11B | 109.4° | 109.5° |
| C12 | C18 | C19 | 111.0° | 109.3° |
| C18 | C12 | H12 | 107.6° | 109.5° |
| C12 | C18 | H18B | 109.1° | 109.5° |
| C12 | C18 | H18A | 109.1° | 109.5° |
| C10 | N9 | C19 | 109.7° | 111.2° |
| C10 | N9 | C8 | 112.7° | 111.0° |
| N9 | C10 | H10B | 109.5° | 109.5° |
| N9 | C10 | H10A | 109.5° | 109.4° |
| C18 | C19 | N9 | 109.8° | 109.5° |
| C19 | C18 | H18B | 109.1° | 109.6° |
| C19 | C18 | H18A | 109.1° | 109.5° |
| C18 | C19 | H19A | 109.4° | 109.4° |
| C18 | C19 | H19B | 109.4° | 109.5° |
| C19 | N9 | C8 | 114.5° | 111.0° |
| N9 | C19 | H19A | 109.4° | 109.4° |
| N9 | C19 | H19B | 109.4° | 109.5° |
| N9 | C8 | C7 | 115.2° | 109.5° |
| N9 | C8 | H8B | 108.0° | 109.5° |
| N9 | C8 | H8A | 108.0° | 109.5° |
| CL1 | C2 | C3 | 118.8° | 119.9° |
| CL1 | C2 | C38 | 118.7° | 120.0° |
| C8 | C7 | C6 | 120.8° | 119.9° |
| C8 | C7 | C20 | 120.4° | 119.9° |
| C7 | C8 | H8B | 108.0° | 109.4° |
| C7 | C8 | H8A | 108.0° | 109.4° |
| C3 | C2 | C38 | 122.4° | 120.1° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C38 | C36 | 117.1° | 120.3° |
| C2 | C38 | H38 | 121.4° | 119.8° |
| C7 | C6 | C5 | 121.5° | 119.9° |
| C6 | C7 | C20 | 118.7° | 120.1° |
| C7 | C6 | H6 | 119.3° | 120.1° |
| C6 | C5 | C4 | 121.4° | 120.1° |
| C6 | C5 | C34 | 118.2° | 119.8° |
| C5 | C6 | H6 | 119.2° | 120.1° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C3 | C4 | C35 | 118.9° | 119.8° |
| C4 | C3 | H3 | 120.2° | 120.1° |
| C7 | C20 | C21 | 121.2° | 120.3° |
| C7 | C20 | H20 | 119.4° | 119.9° |
| C38 | C36 | C35 | 122.1° | 120.1° |
| C38 | C36 | CL37 | 119.0° | 120.0° |
| C36 | C38 | H38 | 121.5° | 119.9° |
| C5 | C4 | C35 | 120.1° | 120.1° |
| C4 | C5 | C34 | 120.3° | 120.1° |
| C4 | C35 | C36 | 119.9° | 119.9° |
| C4 | C35 | H35 | 120.1° | 120.1° |
| C5 | C34 | C21 | 121.4° | 119.8° |
| C5 | C34 | H34 | 119.3° | 120.1° |
| C20 | C21 | C34 | 118.9° | 120.1° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C21 | C20 | H20 | 119.4° | 119.8° |
| C35 | C36 | CL37 | 118.9° | 119.9° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C34 | C21 | C22 | 120.4° | 119.9° |
| C21 | C34 | H34 | 119.3° | 120.1° |
| C21 | C22 | N23 | 113.5° | 109.5° |
| C21 | C22 | H22A | 108.5° | 109.5° |
| C21 | C22 | H22B | 108.5° | 109.4° |
| C32 | C33 | N23 | 110.6° | 109.5° |
| C33 | C32 | C26 | 111.5° | 109.3° |
| C33 | C32 | H32B | 109.0° | 109.5° |
| C33 | C32 | H32A | 109.0° | 109.5° |
| C32 | C33 | H33A | 109.2° | 109.5° |
| C32 | C33 | H33B | 109.2° | 109.5° |
| C33 | N23 | C22 | 111.4° | 111.0° |
| C33 | N23 | C24 | 110.4° | 111.2° |
| N23 | C33 | H33A | 109.2° | 109.5° |
| N23 | C33 | H33B | 109.2° | 109.4° |
| C22 | N23 | C24 | 111.0° | 111.0° |
| N23 | C22 | H22A | 108.5° | 109.5° |
| N23 | C22 | H22B | 108.4° | 109.5° |
| C32 | C26 | C27 | 111.3° | 109.5° |
| C32 | C26 | C25 | 108.6° | 109.1° |
| C32 | C26 | H26 | 108.4° | 109.6° |
| C26 | C32 | H32B | 109.0° | 109.5° |
| C26 | C32 | H32A | 109.0° | 109.5° |
| N23 | C24 | C25 | 110.5° | 109.6° |
| N23 | C24 | H24A | 109.2° | 109.5° |
| N23 | C24 | H24B | 109.2° | 109.5° |
| C27 | C26 | C25 | 111.6° | 109.5° |
| C26 | C27 | C28 | 115.1° | 109.5° |
| C27 | C26 | H26 | 108.3° | 109.6° |
| C26 | C27 | H27A | 108.0° | 109.5° |
| C26 | C27 | H27B | 108.1° | 109.5° |
| C26 | C25 | C24 | 111.2° | 109.3° |
| C25 | C26 | H26 | 108.5° | 109.5° |
| C26 | C25 | H25A | 109.0° | 109.5° |
| C26 | C25 | H25B | 109.0° | 109.5° |
| C25 | C24 | H24A | 109.2° | 109.4° |
| C25 | C24 | H24B | 109.2° | 109.4° |
| C24 | C25 | H25A | 109.1° | 109.5° |
| C24 | C25 | H25B | 109.0° | 109.5° |
| C27 | C28 | O31 | 125.2° | 120.0° |
| C27 | C28 | O29 | 111.2° | 120.0° |
| C28 | C27 | H27A | 108.0° | 109.5° |
| C28 | C27 | H27B | 108.0° | 109.4° |
| O31 | C28 | O29 | 123.6° | 120.0° |
| C28 | O29 | C30 | 116.1° | 117.0° |
| O29 | C30 | H30B | 109.5° | 109.4° |
| O29 | C30 | H30A | 109.5° | 109.5° |
| O29 | C30 | H30C | 109.5° | 109.4° |
| H8B | C8 | H8A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H13B | C13 | H13A | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16C | 109.5° | 109.5° |
| H16B | C16 | H16C | 109.5° | 109.5° |
| H18B | C18 | H18A | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.6° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H30B | C30 | H30A | 109.4° | 109.5° |
| H30B | C30 | H30C | 109.4° | 109.4° |
| H30A | C30 | H30C | 109.5° | 109.5° |
| H32B | C32 | H32A | 109.4° | 109.5° |
| H33A | C33 | H33B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O15 | C14 | C13 | 179.8° | 180.0° |
| C16 | O15 | C14 | O17 | 1.0° | 0.0° |
| O15 | C16 | H16A | H16B | 120.0° | 120.0° |
| O15 | C16 | H16A | H16C | 120.0° | 120.0° |
| O15 | C16 | H16B | H16C | 120.0° | 120.0° |
| O15 | C14 | C13 | O17 | 179.2° | 179.9° |
| O15 | C14 | C13 | C12 | 152.0° | 180.0° |
| O15 | C14 | C13 | H13B | 30.9° | 60.0° |
| O15 | C14 | C13 | H13A | 87.0° | 60.0° |
| C14 | O15 | C16 | H16A | 180.0° | 60.0° |
| C14 | O15 | C16 | H16B | 60.0° | 60.0° |
| C14 | O15 | C16 | H16C | 60.0° | 180.0° |
| C14 | C13 | C12 | H13B | 121.0° | 120.0° |
| C14 | C13 | C12 | H13A | 121.1° | 120.1° |
| C14 | C13 | C12 | C11 | 172.3° | 175.0° |
| C14 | C13 | C12 | C18 | 63.9° | 65.3° |
| C14 | C13 | H13B | H13A | 116.7° | 120.0° |
| C14 | C13 | C12 | H12 | 54.7° | 54.8° |
| C13 | C12 | C11 | C18 | 125.9° | 119.9° |
| C13 | C12 | C11 | H12 | 117.5° | 120.1° |
| C13 | C12 | C11 | C10 | 176.8° | 177.6° |
| C12 | C13 | C14 | O17 | 28.9° | 0.1° |
| C13 | C12 | C18 | H12 | 118.6° | 120.1° |
| C13 | C12 | C18 | C19 | 179.9° | 177.5° |
| C12 | C13 | H13B | H13A | 116.6° | 120.0° |
| C13 | C12 | C11 | H11A | 63.1° | 62.5° |
| C13 | C12 | C11 | H11B | 56.7° | 57.6° |
| C13 | C12 | C18 | H18B | 59.6° | 62.4° |
| C13 | C12 | C18 | H18A | 59.9° | 57.6° |
| C12 | C11 | C10 | H11A | 120.1° | 120.0° |
| C12 | C11 | C10 | H11B | 120.1° | 120.0° |
| C11 | C12 | C18 | H12 | 116.6° | 119.9° |
| C12 | C11 | C10 | N9 | 61.1° | 59.2° |
| C11 | C12 | C18 | C19 | 55.4° | 57.6° |
| C12 | C11 | C10 | H10B | 178.9° | 179.2° |
| C12 | C11 | C10 | H10A | 58.9° | 60.8° |
| C11 | C12 | C13 | H13B | 66.7° | 55.0° |
| C11 | C12 | C13 | H13A | 51.2° | 65.0° |
| C12 | C11 | H11A | H11B | 119.8° | 120.1° |
| C11 | C12 | C18 | H18B | 175.6° | 177.6° |
| C11 | C12 | C18 | H18A | 64.9° | 62.3° |
| C10 | C11 | C12 | C18 | 57.3° | 57.7° |
| C11 | C10 | N9 | H10B | 120.0° | 120.0° |
| C11 | C10 | N9 | H10A | 120.0° | 120.0° |
| C11 | C10 | N9 | C19 | 62.5° | 61.7° |
| C11 | C10 | N9 | C8 | 168.7° | 174.2° |
| C11 | C10 | H10B | H10A | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 119.8° | 120.1° |
| C10 | C11 | C12 | H12 | 59.3° | 62.3° |
| O17 | C14 | C13 | H13B | 149.9° | 120.0° |
| O17 | C14 | C13 | H13A | 92.2° | 120.0° |
| C12 | C18 | C19 | H18B | 120.2° | 120.0° |
| C12 | C18 | C19 | H18A | 120.2° | 119.9° |
| C12 | C18 | C19 | N9 | 57.0° | 59.1° |
| C18 | C12 | C13 | H13B | 57.1° | 174.7° |
| C18 | C12 | C13 | H13A | 175.0° | 54.8° |
| C18 | C12 | C11 | H11A | 62.8° | 177.6° |
| C18 | C12 | C11 | H11B | 177.4° | 62.3° |
| C12 | C18 | H18B | H18A | 119.3° | 120.1° |
| C12 | C18 | C19 | H19A | 63.1° | 60.9° |
| C12 | C18 | C19 | H19B | 177.0° | 179.2° |
| C10 | N9 | C19 | C18 | 60.0° | 61.7° |
| C10 | N9 | C19 | C8 | 127.9° | 124.1° |
| C10 | N9 | C8 | C7 | 55.7° | 170.0° |
| C10 | N9 | C8 | H8B | 176.5° | 70.0° |
| C10 | N9 | C8 | H8A | 65.1° | 50.0° |
| N9 | C10 | H10B | H10A | 120.0° | 120.0° |
| N9 | C10 | C11 | H11A | 59.0° | 179.1° |
| N9 | C10 | C11 | H11B | 178.8° | 60.8° |
| C10 | N9 | C19 | H19A | 60.1° | 58.3° |
| C10 | N9 | C19 | H19B | 180.0° | 178.3° |
| C18 | C19 | N9 | H19A | 120.0° | 119.9° |
| C18 | C19 | N9 | H19B | 120.0° | 120.0° |
| C18 | C19 | N9 | C8 | 172.1° | 174.2° |
| C19 | C18 | C12 | H12 | 61.3° | 62.3° |
| C19 | C18 | H18B | H18A | 119.3° | 120.1° |
| C18 | C19 | H19A | H19B | 119.8° | 119.9° |
| C19 | N9 | C8 | C7 | 70.6° | 65.8° |
| C19 | N9 | C8 | H8B | 50.2° | 54.2° |
| C19 | N9 | C8 | H8A | 168.5° | 174.3° |
| C19 | N9 | C10 | H10B | 177.6° | 178.3° |
| C19 | N9 | C10 | H10A | 57.5° | 58.3° |
| N9 | C19 | C18 | H18B | 177.2° | 179.1° |
| N9 | C19 | C18 | H18A | 63.3° | 60.8° |
| N9 | C19 | H19A | H19B | 119.9° | 120.0° |
| N9 | C8 | C7 | H8B | 120.8° | 120.0° |
| N9 | C8 | C7 | H8A | 120.8° | 120.0° |
| N9 | C8 | C7 | C6 | 82.9° | 90.0° |
| N9 | C8 | C7 | C20 | 100.8° | 90.0° |
| N9 | C8 | H8B | H8A | 117.4° | 120.0° |
| C8 | N9 | C10 | H10B | 48.7° | 54.2° |
| C8 | N9 | C10 | H10A | 71.3° | 65.8° |
| C8 | N9 | C19 | H19A | 67.8° | 65.9° |
| C8 | N9 | C19 | H19B | 52.1° | 54.1° |
| CL1 | C2 | C3 | C38 | 179.5° | 180.0° |
| CL1 | C2 | C3 | C4 | 179.4° | 180.0° |
| CL1 | C2 | C38 | C36 | 179.4° | 179.8° |
| CL1 | C2 | C3 | H3 | 0.6° | 0.0° |
| CL1 | C2 | C38 | H38 | 0.6° | 0.1° |
| C8 | C7 | C6 | C20 | 176.4° | 180.0° |
| C8 | C7 | C6 | C5 | 176.1° | 180.0° |
| C8 | C7 | C20 | C21 | 176.2° | 180.0° |
| C8 | C7 | C6 | H6 | 3.9° | 0.0° |
| C7 | C8 | H8B | H8A | 117.4° | 120.0° |
| C8 | C7 | C20 | H20 | 3.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C38 | C36 | 0.1° | 0.2° |
| C2 | C3 | C4 | C5 | 175.2° | 180.0° |
| C2 | C3 | C4 | C35 | 0.2° | 0.3° |
| C3 | C2 | C38 | H38 | 179.9° | 180.0° |
| C38 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C38 | C36 | H38 | 180.0° | 179.8° |
| C2 | C38 | C36 | C35 | 0.2° | 0.2° |
| C2 | C38 | C36 | CL37 | 179.1° | 179.8° |
| C38 | C2 | C3 | H3 | 179.9° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 176.2° | 180.0° |
| C7 | C6 | C5 | C34 | 0.4° | 0.2° |
| C6 | C7 | C20 | C21 | 0.2° | 0.0° |
| C6 | C7 | C8 | H8B | 156.3° | 150.0° |
| C6 | C7 | C8 | H8A | 37.9° | 30.0° |
| C6 | C7 | C20 | H20 | 179.8° | 179.9° |
| C6 | C5 | C4 | C3 | 34.0° | 179.5° |
| C5 | C6 | C7 | C20 | 0.3° | 0.1° |
| C6 | C5 | C4 | C34 | 176.5° | 179.7° |
| C6 | C5 | C4 | C35 | 141.4° | 0.2° |
| C6 | C5 | C34 | C21 | 0.4° | 0.5° |
| C6 | C5 | C34 | H34 | 179.6° | 179.8° |
| C3 | C4 | C5 | C35 | 175.4° | 179.7° |
| C3 | C4 | C5 | C34 | 149.5° | 0.3° |
| C3 | C4 | C35 | C36 | 0.4° | 0.3° |
| C3 | C4 | C35 | H35 | 179.6° | 179.7° |
| C7 | C20 | C21 | H20 | 180.0° | 179.9° |
| C7 | C20 | C21 | C34 | 0.2° | 0.3° |
| C7 | C20 | C21 | C22 | 178.1° | 180.0° |
| C20 | C7 | C6 | H6 | 179.7° | 180.0° |
| C20 | C7 | C8 | H8B | 20.0° | 30.0° |
| C20 | C7 | C8 | H8A | 138.4° | 150.0° |
| C38 | C36 | C35 | C4 | 0.4° | 0.0° |
| C38 | C36 | C35 | CL37 | 178.9° | 180.0° |
| C38 | C36 | C35 | H35 | 179.6° | 180.0° |
| C5 | C4 | C35 | C36 | 175.1° | 180.0° |
| C4 | C5 | C34 | C21 | 176.2° | 179.7° |
| C4 | C5 | C6 | H6 | 3.8° | 0.0° |
| C5 | C4 | C3 | H3 | 4.8° | 0.1° |
| C4 | C5 | C34 | H34 | 3.8° | 0.0° |
| C5 | C4 | C35 | H35 | 4.9° | 0.0° |
| C35 | C4 | C5 | C34 | 35.1° | 180.0° |
| C4 | C35 | C36 | H35 | 180.0° | 180.0° |
| C4 | C35 | C36 | CL37 | 179.3° | 180.0° |
| C35 | C4 | C3 | H3 | 179.8° | 179.7° |
| C5 | C34 | C21 | C20 | 0.3° | 0.6° |
| C5 | C34 | C21 | H34 | 180.0° | 179.7° |
| C5 | C34 | C21 | C22 | 178.0° | 179.7° |
| C34 | C5 | C6 | H6 | 179.6° | 179.7° |
| C20 | C21 | C34 | C22 | 178.3° | 179.7° |
| C20 | C21 | C22 | N23 | 99.4° | 90.0° |
| C20 | C21 | C22 | H22A | 140.0° | 150.0° |
| C20 | C21 | C22 | H22B | 21.1° | 30.0° |
| C20 | C21 | C34 | H34 | 179.7° | 179.7° |
| C35 | C36 | C38 | H38 | 179.8° | 180.0° |
| CL37 | C36 | C35 | H35 | 0.7° | 0.0° |
| CL37 | C36 | C38 | H38 | 0.9° | 0.0° |
| C34 | C21 | C22 | N23 | 78.8° | 89.7° |
| C34 | C21 | C20 | H20 | 179.8° | 179.8° |
| C34 | C21 | C22 | H22A | 41.8° | 30.3° |
| C34 | C21 | C22 | H22B | 160.6° | 150.3° |
| C21 | C22 | N23 | C33 | 64.1° | 170.0° |
| C21 | C22 | N23 | H22A | 120.6° | 120.0° |
| C21 | C22 | N23 | H22B | 120.6° | 120.0° |
| C21 | C22 | N23 | C24 | 172.4° | 65.8° |
| C22 | C21 | C20 | H20 | 1.9° | 0.1° |
| C21 | C22 | H22A | H22B | 118.2° | 120.0° |
| C22 | C21 | C34 | H34 | 2.0° | 0.0° |
| C32 | C33 | N23 | H33A | 120.2° | 120.0° |
| C32 | C33 | N23 | H33B | 120.2° | 120.0° |
| C32 | C33 | N23 | C22 | 178.2° | 174.2° |
| C33 | C32 | C26 | H32B | 120.3° | 119.9° |
| C33 | C32 | C26 | H32A | 120.3° | 119.9° |
| C32 | C33 | N23 | C24 | 57.9° | 61.7° |
| C33 | C32 | C26 | C27 | 179.5° | 177.5° |
| C33 | C32 | C26 | C25 | 56.2° | 57.6° |
| C33 | C32 | C26 | H26 | 61.4° | 62.2° |
| C33 | C32 | H32B | H32A | 119.1° | 120.1° |
| C32 | C33 | H33A | H33B | 119.5° | 120.0° |
| C33 | N23 | C22 | C24 | 123.5° | 124.2° |
| N23 | C33 | C32 | C26 | 57.7° | 59.2° |
| C33 | N23 | C24 | C25 | 58.3° | 61.8° |
| C33 | N23 | C22 | H22A | 175.3° | 70.0° |
| C33 | N23 | C22 | H22B | 56.5° | 50.0° |
| C33 | N23 | C24 | H24A | 178.5° | 58.3° |
| C33 | N23 | C24 | H24B | 61.8° | 178.2° |
| N23 | C33 | C32 | H32B | 178.0° | 60.8° |
| N23 | C33 | C32 | H32A | 62.6° | 179.1° |
| N23 | C33 | H33A | H33B | 119.5° | 120.0° |
| C22 | N23 | C24 | C25 | 177.6° | 174.2° |
| N23 | C22 | H22A | H22B | 118.2° | 120.0° |
| C22 | N23 | C24 | H24A | 57.4° | 65.8° |
| C22 | N23 | C24 | H24B | 62.2° | 54.2° |
| C22 | N23 | C33 | H33A | 58.1° | 54.1° |
| C22 | N23 | C33 | H33B | 61.6° | 65.8° |
| C32 | C26 | C27 | C25 | 121.5° | 119.7° |
| C32 | C26 | C27 | H26 | 119.1° | 120.2° |
| C32 | C26 | C25 | H26 | 117.6° | 120.0° |
| C32 | C26 | C25 | C24 | 56.5° | 57.6° |
| C32 | C26 | C27 | C28 | 164.8° | 65.3° |
| C32 | C26 | C25 | H25A | 176.8° | 62.2° |
| C32 | C26 | C25 | H25B | 63.7° | 177.6° |
| C32 | C26 | C27 | H27A | 44.0° | 54.7° |
| C32 | C26 | C27 | H27B | 74.3° | 174.7° |
| C26 | C32 | H32B | H32A | 119.1° | 120.1° |
| C26 | C32 | C33 | H33A | 177.9° | 179.2° |
| C26 | C32 | C33 | H33B | 62.5° | 60.8° |
| N23 | C24 | C25 | C26 | 58.4° | 59.2° |
| N23 | C24 | C25 | H24A | 120.2° | 120.1° |
| N23 | C24 | C25 | H24B | 120.2° | 120.0° |
| C24 | N23 | C22 | H22A | 51.8° | 54.2° |
| C24 | N23 | C22 | H22B | 67.0° | 174.2° |
| N23 | C24 | H24A | H24B | 119.5° | 120.0° |
| N23 | C24 | C25 | H25A | 178.7° | 60.7° |
| N23 | C24 | C25 | H25B | 61.8° | 179.1° |
| C24 | N23 | C33 | H33A | 178.1° | 178.2° |
| C24 | N23 | C33 | H33B | 62.3° | 58.3° |
| C27 | C26 | C25 | H26 | 119.3° | 120.1° |
| C27 | C26 | C25 | C24 | 179.6° | 177.5° |
| C26 | C27 | C28 | H27A | 120.8° | 120.0° |
| C26 | C27 | C28 | H27B | 120.8° | 120.0° |
| C26 | C27 | C28 | O31 | 10.4° | 0.0° |
| C26 | C27 | C28 | O29 | 169.6° | 180.0° |
| C27 | C26 | C25 | H25A | 60.1° | 57.7° |
| C27 | C26 | C25 | H25B | 59.4° | 62.5° |
| C26 | C27 | H27A | H27B | 117.4° | 120.1° |
| C27 | C26 | C32 | H32B | 60.2° | 57.6° |
| C27 | C26 | C32 | H32A | 59.2° | 62.5° |
| C26 | C25 | C24 | H25A | 120.3° | 119.9° |
| C26 | C25 | C24 | H25B | 120.3° | 119.9° |
| C25 | C26 | C27 | C28 | 73.6° | 175.0° |
| C26 | C25 | C24 | H24A | 178.6° | 60.9° |
| C26 | C25 | C24 | H24B | 61.7° | 179.2° |
| C26 | C25 | H25A | H25B | 119.2° | 120.1° |
| C25 | C26 | C27 | H27A | 165.5° | 65.0° |
| C25 | C26 | C27 | H27B | 47.2° | 55.0° |
| C25 | C26 | C32 | H32B | 176.5° | 62.3° |
| C25 | C26 | C32 | H32A | 64.1° | 177.6° |
| C25 | C24 | H24A | H24B | 119.5° | 119.9° |
| C24 | C25 | C26 | H26 | 61.1° | 62.3° |
| C24 | C25 | H25A | H25B | 119.2° | 120.2° |
| C27 | C28 | O31 | O29 | 179.9° | 180.0° |
| C27 | C28 | O29 | C30 | 179.6° | 180.0° |
| C28 | C27 | C26 | H26 | 45.7° | 54.9° |
| C28 | C27 | H27A | H27B | 117.4° | 119.9° |
| O31 | C28 | O29 | C30 | 0.4° | 0.0° |
| O31 | C28 | C27 | H27A | 110.5° | 120.0° |
| O31 | C28 | C27 | H27B | 131.2° | 120.0° |
| O29 | C28 | C27 | H27A | 69.6° | 60.0° |
| O29 | C28 | C27 | H27B | 48.8° | 60.0° |
| C28 | O29 | C30 | H30B | 180.0° | 60.0° |
| C28 | O29 | C30 | H30A | 60.0° | 60.0° |
| C28 | O29 | C30 | H30C | 60.0° | 179.9° |
| O29 | C30 | H30B | H30A | 120.0° | 120.0° |
| O29 | C30 | H30B | H30C | 120.0° | 119.9° |
| O29 | C30 | H30A | H30C | 120.0° | 120.0° |
| H10B | C10 | C11 | H11A | 61.0° | 60.9° |
| H10B | C10 | C11 | H11B | 58.8° | 59.2° |
| H10A | C10 | C11 | H11A | 179.0° | 59.2° |
| H10A | C10 | C11 | H11B | 61.2° | 179.3° |
| H13B | C13 | C12 | H12 | 175.8° | 65.1° |
| H13A | C13 | C12 | H12 | 66.3° | 174.9° |
| H24A | C24 | C25 | H25A | 61.1° | 179.2° |
| H24A | C24 | C25 | H25B | 58.3° | 59.0° |
| H24B | C24 | C25 | H25A | 58.5° | 59.3° |
| H24B | C24 | C25 | H25B | 178.0° | 60.9° |
| H26 | C26 | C25 | H25A | 59.2° | 177.8° |
| H26 | C26 | C25 | H25B | 178.6° | 57.6° |
| H26 | C26 | C27 | H27A | 75.1° | 174.9° |
| H26 | C26 | C27 | H27B | 166.5° | 65.1° |
| H26 | C26 | C32 | H32B | 58.9° | 177.8° |
| H26 | C26 | C32 | H32A | 178.2° | 57.7° |
| H11A | C11 | C12 | H12 | 179.4° | 57.6° |
| H11B | C11 | C12 | H12 | 60.8° | 177.7° |
| H12 | C12 | C18 | H18B | 59.0° | 57.7° |
| H12 | C12 | C18 | H18A | 178.5° | 177.8° |
| H16A | C16 | H16B | H16C | 120.0° | 120.0° |
| H18B | C18 | C19 | H19A | 57.1° | 59.1° |
| H18B | C18 | C19 | H19B | 62.8° | 60.8° |
| H18A | C18 | C19 | H19A | 176.7° | 179.2° |
| H18A | C18 | C19 | H19B | 56.8° | 59.3° |
| H30B | C30 | H30A | H30C | 119.9° | 120.0° |
| H32B | C32 | C33 | H33A | 61.8° | 59.3° |
| H32B | C32 | C33 | H33B | 57.8° | 179.2° |
| H32A | C32 | C33 | H33A | 57.6° | 60.8° |
| H32A | C32 | C33 | H33B | 177.2° | 59.1° |
