A1JD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C12 | C30 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C12 | C32 | sing | 1.53Å | 1.55Å | |
| C15 | C33 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | O7 | sing | 1.36Å | 1.37Å | |
| O7 | C8 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C28 | C9 | sing | 1.53Å | 1.52Å | |
| N11 | O10 | sing | 1.42Å | 1.39Å | |
| C27 | N11 | sing | 1.35Å | 1.32Å | |
| C5 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | N14 | doub | 1.29Å | 1.29Å | Aromatic |
| N14 | C15 | sing | 1.32Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.73Å | Aromatic |
| S17 | C13 | sing | 1.71Å | 1.74Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | doub | 1.21Å | 1.23Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24C | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23C | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25C | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31C | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | C12 | 114.8° | 109.5° |
| C30 | C29 | H29B | 109.5° | 109.5° |
| C30 | C29 | H29A | 109.5° | 109.5° |
| C30 | C29 | H29C | 109.5° | 109.5° |
| C29 | C30 | H30A | 108.1° | 109.5° |
| C29 | C30 | H30B | 108.1° | 109.5° |
| C30 | C12 | C32 | 109.0° | 109.5° |
| C30 | C12 | C5 | 113.8° | 109.4° |
| C30 | C12 | C13 | 108.9° | 109.5° |
| C12 | C30 | H30A | 108.1° | 109.5° |
| C12 | C30 | H30B | 108.1° | 109.4° |
| C31 | C32 | C12 | 115.9° | 109.5° |
| C32 | C31 | H31B | 109.5° | 109.5° |
| C32 | C31 | H31C | 109.5° | 109.5° |
| C32 | C31 | H31A | 109.5° | 109.4° |
| C31 | C32 | H32B | 107.8° | 109.5° |
| C31 | C32 | H32A | 107.8° | 109.4° |
| C32 | C12 | C5 | 106.7° | 109.5° |
| C32 | C12 | C13 | 108.4° | 109.5° |
| C12 | C32 | H32B | 107.9° | 109.5° |
| C12 | C32 | H32A | 107.8° | 109.5° |
| C33 | C15 | N14 | 119.8° | 122.7° |
| C33 | C15 | C16 | 125.6° | 122.8° |
| C15 | C33 | H33B | 109.5° | 109.5° |
| C15 | C33 | H33C | 109.5° | 109.5° |
| C15 | C33 | H33A | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.1° | 119.9° |
| C2 | C1 | C6 | 119.7° | 120.0° |
| C1 | C2 | O7 | 119.8° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | O7 | 120.0° | 120.1° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C3 | C4 | C5 | 121.1° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 118.4° | 120.1° |
| C4 | C5 | C12 | 120.4° | 119.9° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C5 | C6 | C1 | 121.1° | 120.0° |
| C6 | C5 | C12 | 120.9° | 119.9° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C1 | C6 | H6 | 119.5° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C2 | O7 | C8 | 117.3° | 117.0° |
| O7 | C8 | C9 | 111.0° | 109.4° |
| O7 | C8 | H8B | 109.1° | 109.5° |
| O7 | C8 | H8A | 109.1° | 109.5° |
| C8 | C9 | C28 | 114.1° | 109.5° |
| C9 | C8 | H8B | 109.1° | 109.5° |
| C9 | C8 | H8A | 109.1° | 109.5° |
| C8 | C9 | H9B | 108.3° | 109.5° |
| C8 | C9 | H9A | 108.3° | 109.5° |
| C9 | C28 | C27 | 109.9° | 109.5° |
| C9 | C28 | H28A | 109.4° | 109.5° |
| C9 | C28 | H28B | 109.3° | 109.4° |
| C28 | C9 | H9B | 108.3° | 109.4° |
| C28 | C9 | H9A | 108.3° | 109.5° |
| O10 | N11 | C27 | 118.7° | 120.0° |
| O10 | N11 | H11 | 120.7° | 120.0° |
| N11 | O10 | H10 | 109.5° | 114.0° |
| N11 | C27 | O26 | 122.9° | 120.0° |
| N11 | C27 | C28 | 115.5° | 120.0° |
| C27 | N11 | H11 | 120.6° | 120.0° |
| C5 | C12 | C13 | 109.8° | 109.5° |
| C12 | C13 | N14 | 124.4° | 125.0° |
| C12 | C13 | S17 | 120.1° | 124.9° |
| C13 | N14 | C15 | 111.5° | 117.1° |
| N14 | C13 | S17 | 115.5° | 110.1° |
| N14 | C15 | C16 | 114.6° | 114.5° |
| C15 | C16 | S17 | 109.4° | 107.9° |
| C15 | C16 | C18 | 128.6° | 126.0° |
| C16 | S17 | C13 | 89.0° | 90.3° |
| S17 | C16 | C18 | 122.0° | 126.1° |
| C16 | C18 | C19 | 115.2° | 109.5° |
| C16 | C18 | H18A | 108.0° | 109.5° |
| C16 | C18 | H18B | 108.0° | 109.5° |
| C18 | C19 | C20 | 113.0° | 109.5° |
| C19 | C18 | H18A | 108.0° | 109.4° |
| C19 | C18 | H18B | 108.0° | 109.5° |
| C18 | C19 | H19B | 108.6° | 109.5° |
| C18 | C19 | H19A | 108.6° | 109.5° |
| C19 | C20 | O21 | 111.5° | 109.5° |
| C19 | C20 | C22 | 119.1° | 109.5° |
| C19 | C20 | H20 | 104.1° | 109.5° |
| C20 | C19 | H19B | 108.6° | 109.4° |
| C20 | C19 | H19A | 108.6° | 109.4° |
| O21 | C20 | C22 | 111.6° | 109.5° |
| O21 | C20 | H20 | 105.0° | 109.5° |
| C20 | O21 | H21 | 109.5° | 114.0° |
| C20 | C22 | C23 | 107.9° | 109.5° |
| C20 | C22 | C24 | 110.6° | 109.5° |
| C20 | C22 | C25 | 111.3° | 109.5° |
| C22 | C20 | H20 | 103.9° | 109.5° |
| C23 | C22 | C24 | 109.5° | 109.4° |
| C23 | C22 | C25 | 109.0° | 109.4° |
| C22 | C23 | H23B | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H23C | 109.5° | 109.4° |
| C24 | C22 | C25 | 108.4° | 109.5° |
| C22 | C24 | H24A | 109.5° | 109.5° |
| C22 | C24 | H24B | 109.5° | 109.5° |
| C22 | C24 | H24C | 109.5° | 109.5° |
| C22 | C25 | H25A | 109.5° | 109.4° |
| C22 | C25 | H25C | 109.4° | 109.5° |
| C22 | C25 | H25B | 109.5° | 109.5° |
| O26 | C27 | C28 | 121.5° | 120.0° |
| C27 | C28 | H28A | 109.4° | 109.5° |
| C27 | C28 | H28B | 109.4° | 109.5° |
| H8B | C8 | H8A | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24C | 109.4° | 109.5° |
| H24B | C24 | H24C | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.4° | 109.4° |
| H19B | C19 | H19A | 109.4° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H23B | C23 | H23C | 109.4° | 109.4° |
| H23A | C23 | H23C | 109.5° | 109.5° |
| H25A | C25 | H25C | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.4° | 109.5° |
| H25C | C25 | H25B | 109.5° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.4° |
| H29B | C29 | H29C | 109.5° | 109.5° |
| H29A | C29 | H29C | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31B | C31 | H31C | 109.5° | 109.5° |
| H31B | C31 | H31A | 109.5° | 109.4° |
| H31C | C31 | H31A | 109.4° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H33B | C33 | H33C | 109.5° | 109.4° |
| H33B | C33 | H33A | 109.5° | 109.4° |
| H33C | C33 | H33A | 109.5° | 109.5° |
| H9B | C9 | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | C12 | H30A | 120.8° | 120.0° |
| C29 | C30 | C12 | H30B | 120.8° | 120.0° |
| C29 | C30 | C12 | C32 | 65.5° | 174.6° |
| C29 | C30 | C12 | C5 | 175.6° | 54.6° |
| C29 | C30 | C12 | C13 | 52.7° | 65.3° |
| C30 | C29 | H29B | H29A | 120.0° | 120.0° |
| C30 | C29 | H29B | H29C | 120.0° | 120.0° |
| C30 | C29 | H29A | H29C | 120.0° | 120.0° |
| C29 | C30 | H30A | H30B | 117.5° | 120.0° |
| C30 | C12 | C32 | C31 | 45.4° | 174.6° |
| C30 | C12 | C32 | C5 | 123.3° | 119.9° |
| C30 | C12 | C32 | C13 | 118.5° | 120.0° |
| C30 | C12 | C5 | C4 | 142.4° | 127.2° |
| C30 | C12 | C5 | C6 | 44.7° | 52.9° |
| C30 | C12 | C5 | C13 | 122.4° | 120.0° |
| C30 | C12 | C13 | N14 | 45.1° | 67.2° |
| C30 | C12 | C13 | S17 | 134.0° | 112.5° |
| C12 | C30 | C29 | H29B | 180.0° | 54.0° |
| C12 | C30 | C29 | H29A | 60.0° | 174.0° |
| C12 | C30 | C29 | H29C | 60.0° | 66.0° |
| C12 | C30 | H30A | H30B | 117.6° | 120.0° |
| C30 | C12 | C32 | H32B | 75.5° | 65.4° |
| C30 | C12 | C32 | H32A | 166.4° | 54.7° |
| C31 | C32 | C12 | H32B | 121.0° | 120.0° |
| C31 | C32 | C12 | H32A | 120.9° | 119.9° |
| C31 | C32 | C12 | C5 | 77.8° | 54.7° |
| C31 | C32 | C12 | C13 | 163.9° | 65.4° |
| C32 | C31 | H31B | H31C | 120.0° | 120.1° |
| C32 | C31 | H31B | H31A | 120.0° | 119.9° |
| C32 | C31 | H31C | H31A | 120.0° | 120.0° |
| C31 | C32 | H32B | H32A | 117.1° | 119.9° |
| C32 | C12 | C5 | C4 | 97.3° | 112.9° |
| C32 | C12 | C5 | C6 | 75.5° | 67.1° |
| C32 | C12 | C5 | C13 | 117.3° | 120.1° |
| C32 | C12 | C13 | N14 | 163.6° | 172.8° |
| C32 | C12 | C13 | S17 | 15.6° | 7.5° |
| C32 | C12 | C30 | H30A | 55.3° | 54.6° |
| C32 | C12 | C30 | H30B | 173.8° | 65.4° |
| C12 | C32 | C31 | H31B | 180.0° | 174.6° |
| C12 | C32 | C31 | H31C | 60.0° | 54.4° |
| C12 | C32 | C31 | H31A | 60.0° | 65.5° |
| C12 | C32 | H32B | H32A | 117.1° | 120.1° |
| C33 | C15 | N14 | C13 | 178.2° | 180.0° |
| C33 | C15 | N14 | C16 | 178.0° | 179.6° |
| C33 | C15 | C16 | S17 | 177.9° | 180.0° |
| C33 | C15 | C16 | C18 | 2.9° | 0.1° |
| C15 | C33 | H33B | H33C | 120.0° | 120.0° |
| C15 | C33 | H33B | H33A | 120.0° | 120.0° |
| C15 | C33 | H33C | H33A | 120.0° | 120.1° |
| C1 | C2 | C3 | O7 | 178.6° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | O7 | C8 | 10.7° | 180.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.3° | 0.6° |
| C3 | C2 | C1 | C6 | 0.0° | 0.2° |
| C3 | C2 | O7 | C8 | 170.7° | 0.2° |
| C2 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C4 | C3 | C2 | O7 | 178.7° | 179.7° |
| C3 | C4 | C5 | C12 | 172.6° | 179.7° |
| C4 | C5 | C6 | C12 | 173.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C4 | C5 | C12 | C13 | 20.0° | 7.2° |
| C4 | C5 | C6 | H6 | 179.7° | 179.9° |
| C5 | C4 | C3 | H3 | 179.7° | 179.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C6 | C5 | C12 | C13 | 167.2° | 172.9° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C6 | C1 | C2 | O7 | 178.6° | 180.0° |
| C1 | C6 | C5 | C12 | 172.7° | 179.9° |
| C2 | O7 | C8 | C9 | 152.5° | 180.0° |
| C2 | O7 | C8 | H8B | 32.2° | 60.0° |
| C2 | O7 | C8 | H8A | 87.3° | 60.0° |
| O7 | C2 | C1 | H1 | 1.4° | 0.0° |
| O7 | C2 | C3 | H3 | 1.3° | 0.2° |
| O7 | C8 | C9 | H8B | 120.3° | 120.0° |
| O7 | C8 | C9 | H8A | 120.3° | 120.0° |
| O7 | C8 | C9 | C28 | 28.8° | 180.0° |
| O7 | C8 | H8B | H8A | 119.3° | 120.0° |
| O7 | C8 | C9 | H9B | 91.9° | 60.0° |
| O7 | C8 | C9 | H9A | 149.4° | 60.0° |
| C8 | C9 | C28 | H9B | 120.7° | 120.0° |
| C8 | C9 | C28 | H9A | 120.7° | 120.0° |
| C8 | C9 | C28 | C27 | 164.3° | 180.0° |
| C9 | C8 | H8B | H8A | 119.3° | 120.0° |
| C8 | C9 | C28 | H28A | 44.2° | 60.0° |
| C8 | C9 | C28 | H28B | 75.6° | 60.0° |
| C8 | C9 | H9B | H9A | 117.9° | 120.0° |
| C9 | C28 | C27 | N11 | 158.3° | 180.0° |
| C9 | C28 | C27 | O26 | 19.6° | 0.1° |
| C9 | C28 | C27 | H28A | 120.1° | 120.0° |
| C9 | C28 | C27 | H28B | 120.1° | 120.0° |
| C28 | C9 | C8 | H8B | 149.0° | 60.0° |
| C28 | C9 | C8 | H8A | 91.5° | 60.0° |
| C9 | C28 | H28A | H28B | 119.8° | 120.0° |
| C28 | C9 | H9B | H9A | 117.9° | 120.0° |
| O10 | N11 | C27 | H11 | 180.0° | 180.0° |
| O10 | N11 | C27 | O26 | 1.2° | 0.0° |
| O10 | N11 | C27 | C28 | 176.7° | 180.0° |
| N11 | C27 | O26 | C28 | 177.7° | 179.9° |
| N11 | C27 | C28 | H28A | 38.2° | 60.0° |
| N11 | C27 | C28 | H28B | 81.6° | 60.0° |
| C27 | N11 | O10 | H10 | 0.5° | 180.0° |
| C5 | C12 | C13 | N14 | 80.2° | 52.7° |
| C5 | C12 | C13 | S17 | 100.7° | 127.5° |
| C12 | C5 | C4 | H4 | 7.4° | 0.1° |
| C12 | C5 | C6 | H6 | 7.3° | 0.0° |
| C5 | C12 | C30 | H30A | 63.6° | 65.4° |
| C5 | C12 | C30 | H30B | 54.9° | 174.6° |
| C5 | C12 | C32 | H32B | 161.2° | 174.7° |
| C5 | C12 | C32 | H32A | 43.1° | 65.3° |
| C12 | C13 | N14 | S17 | 179.2° | 179.8° |
| C12 | C13 | N14 | C15 | 178.9° | 180.0° |
| C12 | C13 | S17 | C16 | 179.0° | 179.7° |
| C13 | C12 | C30 | H30A | 173.5° | 174.6° |
| C13 | C12 | C30 | H30B | 68.1° | 54.6° |
| C13 | C12 | C32 | H32B | 43.0° | 54.6° |
| C13 | C12 | C32 | H32A | 75.2° | 174.7° |
| C13 | N14 | C15 | C16 | 0.1° | 0.5° |
| N14 | C13 | S17 | C16 | 0.2° | 0.0° |
| N14 | C15 | C16 | S17 | 0.0° | 0.5° |
| C15 | N14 | C13 | S17 | 0.2° | 0.2° |
| N14 | C15 | C16 | C18 | 179.2° | 179.6° |
| N14 | C15 | C33 | H33B | 0.0° | 90.4° |
| N14 | C15 | C33 | H33C | 120.0° | 29.5° |
| N14 | C15 | C33 | H33A | 120.0° | 149.6° |
| C15 | C16 | S17 | C18 | 179.3° | 179.9° |
| C15 | C16 | S17 | C13 | 0.1° | 0.3° |
| C15 | C16 | C18 | C19 | 173.8° | 90.0° |
| C15 | C16 | C18 | H18A | 53.0° | 150.0° |
| C15 | C16 | C18 | H18B | 65.3° | 30.0° |
| C16 | C15 | C33 | H33B | 177.8° | 90.0° |
| C16 | C15 | C33 | H33C | 62.2° | 150.0° |
| C16 | C15 | C33 | H33A | 57.8° | 29.9° |
| S17 | C16 | C18 | C19 | 7.1° | 90.0° |
| S17 | C16 | C18 | H18A | 127.9° | 29.9° |
| S17 | C16 | C18 | H18B | 113.8° | 149.9° |
| C13 | S17 | C16 | C18 | 179.1° | 179.8° |
| C16 | C18 | C19 | H18A | 120.9° | 120.0° |
| C16 | C18 | C19 | H18B | 120.9° | 120.0° |
| C16 | C18 | C19 | C20 | 153.2° | 180.0° |
| C16 | C18 | H18A | H18B | 117.4° | 120.0° |
| C16 | C18 | C19 | H19B | 32.6° | 60.0° |
| C16 | C18 | C19 | H19A | 86.3° | 60.0° |
| C18 | C19 | C20 | H19B | 120.5° | 120.0° |
| C18 | C19 | C20 | H19A | 120.5° | 120.0° |
| C18 | C19 | C20 | O21 | 46.7° | 65.0° |
| C18 | C19 | C20 | C22 | 179.0° | 175.0° |
| C18 | C19 | C20 | H20 | 66.0° | 55.0° |
| C19 | C18 | H18A | H18B | 117.4° | 120.0° |
| C18 | C19 | H19B | H19A | 118.4° | 120.0° |
| C19 | C20 | O21 | C22 | 136.0° | 120.0° |
| C19 | C20 | O21 | H20 | 112.1° | 120.0° |
| C19 | C20 | C22 | H20 | 115.1° | 120.0° |
| C19 | C20 | C22 | C23 | 116.1° | 180.0° |
| C19 | C20 | C22 | C24 | 3.7° | 60.0° |
| C19 | C20 | C22 | C25 | 124.3° | 60.0° |
| C20 | C19 | C18 | H18A | 86.0° | 60.0° |
| C20 | C19 | C18 | H18B | 32.3° | 60.0° |
| C20 | C19 | H19B | H19A | 118.4° | 119.9° |
| C19 | C20 | O21 | H21 | 180.0° | 60.0° |
| O21 | C20 | C22 | H20 | 112.6° | 120.0° |
| O21 | C20 | C22 | C23 | 111.6° | 60.0° |
| O21 | C20 | C22 | C24 | 128.6° | 60.0° |
| O21 | C20 | C22 | C25 | 8.0° | 180.0° |
| O21 | C20 | C19 | H19B | 167.2° | 55.0° |
| O21 | C20 | C19 | H19A | 73.9° | 175.0° |
| C20 | C22 | C23 | C24 | 120.5° | 120.0° |
| C20 | C22 | C23 | C25 | 121.0° | 120.0° |
| C20 | C22 | C24 | C25 | 122.3° | 120.1° |
| C20 | C22 | C24 | H24A | 180.0° | 59.9° |
| C20 | C22 | C24 | H24B | 60.0° | 180.0° |
| C20 | C22 | C24 | H24C | 60.0° | 60.1° |
| C22 | C20 | C19 | H19B | 60.5° | 65.0° |
| C22 | C20 | C19 | H19A | 58.5° | 55.0° |
| C20 | C22 | C23 | H23B | 180.0° | 60.0° |
| C20 | C22 | C23 | H23A | 60.0° | 180.0° |
| C20 | C22 | C23 | H23C | 60.0° | 60.0° |
| C20 | C22 | C25 | H25A | 180.0° | 60.0° |
| C20 | C22 | C25 | H25C | 60.0° | 180.0° |
| C20 | C22 | C25 | H25B | 60.0° | 59.9° |
| C22 | C20 | O21 | H21 | 44.0° | 60.0° |
| C23 | C22 | C24 | C25 | 118.9° | 119.9° |
| C23 | C22 | C20 | H20 | 1.0° | 60.0° |
| C23 | C22 | C24 | H24A | 61.2° | 60.0° |
| C23 | C22 | C24 | H24B | 58.8° | 60.0° |
| C23 | C22 | C24 | H24C | 178.8° | 180.0° |
| C22 | C23 | H23B | H23A | 120.0° | 120.0° |
| C22 | C23 | H23B | H23C | 120.0° | 119.9° |
| C22 | C23 | H23A | H23C | 120.0° | 120.0° |
| C23 | C22 | C25 | H25A | 61.1° | 180.0° |
| C23 | C22 | C25 | H25C | 178.9° | 60.0° |
| C23 | C22 | C25 | H25B | 58.9° | 60.0° |
| C24 | C22 | C20 | H20 | 118.8° | 180.0° |
| C22 | C24 | H24A | H24B | 120.0° | 120.1° |
| C22 | C24 | H24A | H24C | 120.0° | 120.0° |
| C22 | C24 | H24B | H24C | 120.0° | 119.9° |
| C24 | C22 | C23 | H23B | 59.5° | 180.0° |
| C24 | C22 | C23 | H23A | 179.5° | 60.0° |
| C24 | C22 | C23 | H23C | 60.5° | 60.0° |
| C24 | C22 | C25 | H25A | 58.1° | 60.1° |
| C24 | C22 | C25 | H25C | 61.9° | 59.9° |
| C24 | C22 | C25 | H25B | 178.1° | 180.0° |
| C25 | C22 | C20 | H20 | 120.6° | 59.9° |
| C25 | C22 | C24 | H24A | 57.7° | 180.0° |
| C25 | C22 | C24 | H24B | 177.7° | 59.9° |
| C25 | C22 | C24 | H24C | 62.3° | 60.0° |
| C25 | C22 | C23 | H23B | 59.0° | 60.0° |
| C25 | C22 | C23 | H23A | 61.0° | 60.0° |
| C25 | C22 | C23 | H23C | 179.0° | 180.0° |
| C22 | C25 | H25A | H25C | 120.0° | 120.0° |
| C22 | C25 | H25A | H25B | 120.0° | 119.9° |
| C22 | C25 | H25C | H25B | 120.0° | 120.0° |
| O26 | C27 | C28 | H28A | 139.6° | 119.9° |
| O26 | C27 | C28 | H28B | 100.5° | 120.0° |
| O26 | C27 | N11 | H11 | 178.8° | 180.0° |
| C27 | C28 | H28A | H28B | 119.8° | 120.0° |
| C27 | C28 | C9 | H9B | 75.0° | 60.0° |
| C27 | C28 | C9 | H9A | 43.6° | 60.0° |
| C28 | C27 | N11 | H11 | 3.3° | 0.0° |
| H4 | C4 | C3 | H3 | 0.3° | 0.3° |
| H6 | C6 | C1 | H1 | 0.1° | 0.1° |
| H8B | C8 | C9 | H9B | 28.3° | 60.0° |
| H8B | C8 | C9 | H9A | 90.3° | 180.0° |
| H8A | C8 | C9 | H9B | 147.8° | 180.0° |
| H8A | C8 | C9 | H9A | 29.2° | 60.0° |
| H20 | C20 | C19 | H19B | 54.5° | 175.1° |
| H20 | C20 | C19 | H19A | 173.5° | 65.0° |
| H20 | C20 | O21 | H21 | 67.9° | 180.0° |
| H24A | C24 | H24B | H24C | 120.0° | 120.0° |
| H28A | C28 | C9 | H9B | 164.9° | 60.0° |
| H28A | C28 | C9 | H9A | 76.4° | NaN° |
| H28B | C28 | C9 | H9B | 45.1° | 180.0° |
| H28B | C28 | C9 | H9A | 163.7° | 60.0° |
| H18A | C18 | C19 | H19B | 153.5° | 60.0° |
| H18A | C18 | C19 | H19A | 34.6° | 179.9° |
| H18B | C18 | C19 | H19B | 88.2° | 180.0° |
| H18B | C18 | C19 | H19A | 152.8° | 60.0° |
| H23B | C23 | H23A | H23C | 120.0° | 120.0° |
| H25A | C25 | H25C | H25B | 120.0° | 120.0° |
| H29B | C29 | H29A | H29C | 120.0° | 120.0° |
| H29B | C29 | C30 | H30A | 59.2° | 66.0° |
| H29B | C29 | C30 | H30B | 59.2° | 174.0° |
| H29A | C29 | C30 | H30A | 60.8° | 53.9° |
| H29A | C29 | C30 | H30B | 179.2° | 66.1° |
| H29C | C29 | C30 | H30A | 179.2° | 174.0° |
| H29C | C29 | C30 | H30B | 60.8° | 54.0° |
| H31B | C31 | H31C | H31A | 120.0° | 119.9° |
| H31B | C31 | C32 | H32B | 59.0° | 65.4° |
| H31B | C31 | C32 | H32A | 59.1° | 54.6° |
| H31C | C31 | C32 | H32B | 61.0° | 174.5° |
| H31C | C31 | C32 | H32A | 179.1° | 65.5° |
| H31A | C31 | C32 | H32B | 179.0° | 54.5° |
| H31A | C31 | C32 | H32A | 60.9° | 174.5° |
| H33B | C33 | H33C | H33A | 120.0° | 119.9° |
| H11 | N11 | O10 | H10 | 179.5° | 0.0° |
