A1A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.44Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| C34 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C32 | N24 | sing | 1.47Å | 1.50Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C7 | O8 | sing | 1.45Å | 1.42Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.11Å | |
| C7 | H7C3 | sing | 1.09Å | 1.12Å | |
| C4 | C1 | sing | 1.53Å | 1.58Å | |
| C4 | N24 | sing | 1.47Å | 1.47Å | |
| C4 | H4C1 | sing | 1.09Å | 1.12Å | |
| C4 | H4C2 | sing | 1.09Å | 1.12Å | |
| O3 | C30 | doub | 1.21Å | 1.25Å | |
| N1 | C30 | sing | 1.35Å | 1.34Å | |
| N1 | C41 | sing | 1.46Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C22 | C1 | sing | 1.53Å | 1.57Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| O6 | C1 | sing | 1.43Å | 1.42Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O8 | C30 | sing | 1.35Å | 1.36Å | |
| C10 | O11 | doub | 1.21Å | 1.25Å | |
| C10 | N12 | sing | 1.35Å | 1.34Å | |
| C10 | C1 | sing | 1.51Å | 1.58Å | |
| N12 | C51 | sing | 1.46Å | 1.47Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C51 | C52 | sing | 1.51Å | 1.50Å | |
| C51 | C59 | sing | 1.54Å | 1.57Å | |
| C51 | H51 | sing | 1.09Å | 1.11Å | |
| C52 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.43Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.43Å | Aromatic |
| C57 | C58 | sing | 1.51Å | 1.52Å | |
| C53 | C54 | doub | 1.38Å | 1.43Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | C55 | sing | 1.38Å | 1.44Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| C55 | C56 | doub | 1.38Å | 1.44Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C59 | O60 | sing | 1.43Å | 1.43Å | |
| C59 | C58 | sing | 1.54Å | 1.55Å | |
| C59 | H59 | sing | 1.09Å | 1.12Å | |
| O60 | H60 | sing | 0.97Å | 0.95Å | |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.12Å | |
| C58 | H582 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | C45 | sing | 1.51Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | C44 | sing | 1.53Å | 1.55Å | |
| C42 | H42 | sing | 1.09Å | 1.12Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C45 | O46 | doub | 1.21Å | 1.24Å | |
| C45 | N47 | sing | 1.35Å | 1.36Å | |
| N24 | N47 | sing | 1.37Å | 1.41Å | |
| N47 | H47 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C28 | 119.1° | 120.0° |
| C24 | C23 | C22 | 120.4° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C28 | C23 | C22 | 120.5° | 120.0° |
| C23 | C28 | C27 | 120.2° | 120.1° |
| C23 | C28 | H28 | 119.9° | 120.0° |
| C23 | C22 | C1 | 114.5° | 109.4° |
| C23 | C22 | H221 | 110.3° | 109.5° |
| C23 | C22 | H222 | 110.3° | 109.5° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 119.9° |
| C28 | C27 | H27 | 119.9° | 120.1° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C34 | C33 | C38 | 119.3° | 119.9° |
| C34 | C33 | C32 | 122.5° | 120.1° |
| C33 | C34 | C35 | 120.2° | 120.1° |
| C33 | C34 | H34 | 119.9° | 119.9° |
| C38 | C33 | C32 | 118.2° | 120.0° |
| C33 | C38 | C37 | 120.6° | 120.0° |
| C33 | C38 | H38 | 119.7° | 120.0° |
| C33 | C32 | N24 | 119.8° | 109.5° |
| C33 | C32 | H321 | 108.5° | 109.5° |
| C33 | C32 | H322 | 108.5° | 109.4° |
| C35 | C34 | H34 | 119.9° | 120.0° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C36 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.1° | 120.0° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| N24 | C32 | H321 | 108.5° | 109.5° |
| N24 | C32 | H322 | 108.5° | 109.5° |
| C32 | N24 | C4 | 110.1° | 106.7° |
| C32 | N24 | N47 | 116.4° | 106.7° |
| H321 | C32 | H322 | 101.5° | 109.5° |
| O8 | C7 | H7C1 | 122.6° | 109.5° |
| O8 | C7 | H7C2 | 107.5° | 109.4° |
| O8 | C7 | H7C3 | 107.5° | 109.5° |
| C7 | O8 | C30 | 122.6° | 120.0° |
| H7C1 | C7 | H7C2 | 107.5° | 109.5° |
| H7C1 | C7 | H7C3 | 107.6° | 109.5° |
| H7C2 | C7 | H7C3 | 102.3° | 109.5° |
| C1 | C4 | N24 | 125.7° | 109.4° |
| C1 | C4 | H4C1 | 106.5° | 109.5° |
| C1 | C4 | H4C2 | 106.5° | 109.5° |
| C4 | C1 | C22 | 117.6° | 109.5° |
| C4 | C1 | O6 | 107.7° | 109.5° |
| C4 | C1 | C10 | 103.6° | 109.4° |
| N24 | C4 | H4C1 | 106.5° | 109.5° |
| N24 | C4 | H4C2 | 106.5° | 109.5° |
| C4 | N24 | N47 | 119.2° | 106.7° |
| H4C1 | C4 | H4C2 | 103.1° | 109.5° |
| O3 | C30 | N1 | 120.3° | 120.0° |
| O3 | C30 | O8 | 123.1° | 120.0° |
| C30 | N1 | C41 | 126.1° | 120.0° |
| C30 | N1 | H1 | 117.0° | 120.0° |
| N1 | C30 | O8 | 116.5° | 120.0° |
| C41 | N1 | H1 | 116.9° | 120.0° |
| N1 | C41 | C42 | 106.8° | 109.4° |
| N1 | C41 | C45 | 109.6° | 109.5° |
| N1 | C41 | H41 | 107.5° | 109.5° |
| C1 | C22 | H221 | 110.4° | 109.5° |
| C1 | C22 | H222 | 110.4° | 109.4° |
| C22 | C1 | O6 | 108.2° | 109.5° |
| C22 | C1 | C10 | 109.4° | 109.5° |
| H221 | C22 | H222 | 99.9° | 109.5° |
| C1 | O6 | H6 | 108.2° | 106.8° |
| O6 | C1 | C10 | 110.2° | 109.5° |
| O11 | C10 | N12 | 119.8° | 119.9° |
| O11 | C10 | C1 | 120.6° | 120.0° |
| N12 | C10 | C1 | 119.5° | 120.1° |
| C10 | N12 | C51 | 123.2° | 120.1° |
| C10 | N12 | H12 | 118.4° | 120.0° |
| C51 | N12 | H12 | 118.4° | 120.0° |
| N12 | C51 | C52 | 114.9° | 110.3° |
| N12 | C51 | C59 | 115.3° | 110.3° |
| N12 | C51 | H51 | 107.5° | 110.3° |
| C52 | C51 | C59 | 103.6° | 105.2° |
| C52 | C51 | H51 | 107.6° | 110.3° |
| C51 | C52 | C57 | 109.1° | 109.7° |
| C51 | C52 | C53 | 129.4° | 130.5° |
| C59 | C51 | H51 | 107.6° | 110.3° |
| C51 | C59 | O60 | 112.7° | 110.8° |
| C51 | C59 | C58 | 102.8° | 102.4° |
| C51 | C59 | H59 | 111.9° | 110.8° |
| C57 | C52 | C53 | 121.5° | 119.8° |
| C52 | C57 | C56 | 121.3° | 119.9° |
| C52 | C57 | C58 | 110.5° | 109.7° |
| C52 | C53 | C54 | 117.9° | 120.3° |
| C52 | C53 | H53 | 121.1° | 119.9° |
| C56 | C57 | C58 | 128.1° | 130.4° |
| C57 | C56 | C55 | 118.0° | 120.2° |
| C57 | C56 | H56 | 121.0° | 119.9° |
| C57 | C58 | C59 | 102.6° | 105.2° |
| C57 | C58 | H581 | 114.8° | 110.4° |
| C57 | C58 | H582 | 114.9° | 110.2° |
| C54 | C53 | H53 | 121.0° | 119.9° |
| C53 | C54 | C55 | 120.5° | 119.9° |
| C53 | C54 | H54 | 119.7° | 120.0° |
| C55 | C54 | H54 | 119.7° | 120.1° |
| C54 | C55 | C56 | 120.6° | 120.0° |
| C54 | C55 | H55 | 119.7° | 120.0° |
| C56 | C55 | H55 | 119.7° | 120.0° |
| C55 | C56 | H56 | 121.0° | 119.9° |
| O60 | C59 | C58 | 105.1° | 111.0° |
| O60 | C59 | H59 | 111.9° | 110.8° |
| C59 | O60 | H60 | 112.8° | 106.8° |
| C58 | C59 | H59 | 111.9° | 110.8° |
| C59 | C58 | H581 | 114.8° | 110.3° |
| C59 | C58 | H582 | 114.8° | 110.3° |
| H581 | C58 | H582 | 95.6° | 110.3° |
| C42 | C41 | C45 | 117.5° | 109.4° |
| C42 | C41 | H41 | 107.5° | 109.5° |
| C41 | C42 | C43 | 113.3° | 109.5° |
| C41 | C42 | C44 | 113.1° | 109.5° |
| C41 | C42 | H42 | 107.8° | 109.5° |
| C45 | C41 | H41 | 107.5° | 109.5° |
| C41 | C45 | O46 | 121.2° | 120.0° |
| C41 | C45 | N47 | 115.2° | 120.0° |
| C43 | C42 | C44 | 106.7° | 109.4° |
| C43 | C42 | H42 | 107.8° | 109.5° |
| C42 | C43 | H431 | 113.3° | 109.5° |
| C42 | C43 | H432 | 110.8° | 109.5° |
| C42 | C43 | H433 | 110.8° | 109.5° |
| C44 | C42 | H42 | 107.8° | 109.4° |
| C42 | C44 | H441 | 113.1° | 109.5° |
| C42 | C44 | H442 | 110.9° | 109.4° |
| C42 | C44 | H443 | 110.8° | 109.5° |
| H431 | C43 | H432 | 110.8° | 109.4° |
| H431 | C43 | H433 | 110.8° | 109.5° |
| H432 | C43 | H433 | 99.5° | 109.4° |
| H441 | C44 | H442 | 110.9° | 109.4° |
| H441 | C44 | H443 | 110.9° | 109.5° |
| H442 | C44 | H443 | 99.5° | 109.5° |
| O46 | C45 | N47 | 123.6° | 120.0° |
| C45 | N47 | N24 | 132.2° | 120.0° |
| C45 | N47 | H47 | 113.9° | 120.0° |
| N24 | N47 | H47 | 113.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C28 | C22 | 178.6° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 179.6° |
| C23 | C24 | C25 | C26 | 0.2° | 0.4° |
| C23 | C24 | C25 | H25 | 179.8° | 179.7° |
| C24 | C23 | C28 | C27 | 0.1° | 0.3° |
| C24 | C23 | C28 | H28 | 180.0° | 179.7° |
| C24 | C23 | C22 | C1 | 100.5° | 96.6° |
| C24 | C23 | C22 | H221 | 134.2° | 143.4° |
| C24 | C23 | C22 | H222 | 24.7° | 23.3° |
| C28 | C23 | C24 | C25 | 0.0° | 0.5° |
| C28 | C23 | C24 | H24 | 180.0° | 179.9° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | H27 | 180.0° | 179.9° |
| C28 | C23 | C22 | C1 | 78.0° | 83.7° |
| C28 | C23 | C22 | H221 | 47.2° | 36.3° |
| C28 | C23 | C22 | H222 | 156.7° | 156.4° |
| C22 | C23 | C24 | C25 | 178.6° | 179.8° |
| C22 | C23 | C24 | H24 | 1.4° | 0.2° |
| C22 | C23 | C28 | C27 | 178.5° | 180.0° |
| C22 | C23 | C28 | H28 | 1.5° | 0.0° |
| C23 | C22 | C1 | C4 | 153.7° | 175.7° |
| C23 | C22 | C1 | H221 | 125.3° | 120.0° |
| C23 | C22 | C1 | H222 | 125.3° | 119.9° |
| C23 | C22 | H221 | H222 | 116.2° | 120.0° |
| C23 | C22 | C1 | O6 | 84.1° | 55.7° |
| C23 | C22 | C1 | C10 | 36.0° | 64.3° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C24 | C25 | C26 | H26 | 179.7° | 179.8° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| H25 | C25 | C26 | C27 | 179.7° | 180.0° |
| H25 | C25 | C26 | H26 | 0.3° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C27 | C28 | 179.7° | 179.9° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C34 | C33 | C38 | C32 | 179.9° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 179.6° |
| C33 | C34 | C35 | C36 | 0.0° | 0.4° |
| C33 | C34 | C35 | H35 | 180.0° | 179.7° |
| C34 | C33 | C38 | C37 | 0.1° | 0.3° |
| C34 | C33 | C38 | H38 | 179.9° | 179.8° |
| C34 | C33 | C32 | N24 | 58.7° | 90.2° |
| C34 | C33 | C32 | H321 | 176.1° | 149.8° |
| C34 | C33 | C32 | H322 | 66.5° | 29.8° |
| C38 | C33 | C34 | C35 | 0.0° | 0.4° |
| C38 | C33 | C34 | H34 | 180.0° | 179.9° |
| C33 | C38 | C37 | C36 | 0.1° | 0.1° |
| C33 | C38 | C37 | H38 | 180.0° | 179.9° |
| C33 | C38 | C37 | H37 | 180.0° | 180.0° |
| C38 | C33 | C32 | N24 | 121.4° | 90.0° |
| C38 | C33 | C32 | H321 | 3.8° | 30.0° |
| C38 | C33 | C32 | H322 | 113.3° | 150.0° |
| C32 | C33 | C34 | C35 | 179.9° | 179.8° |
| C32 | C33 | C34 | H34 | 0.1° | 0.2° |
| C32 | C33 | C38 | C37 | 180.0° | 179.9° |
| C32 | C33 | C38 | H38 | 0.0° | 0.0° |
| C33 | C32 | N24 | H321 | 125.3° | 120.0° |
| C33 | C32 | N24 | H322 | 125.2° | 120.0° |
| C33 | C32 | H321 | H322 | 114.2° | 120.0° |
| C33 | C32 | N24 | C4 | 85.0° | 66.2° |
| C33 | C32 | N24 | N47 | 54.6° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.0° | 0.2° |
| C34 | C35 | C36 | H36 | 180.0° | 179.9° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C35 | C36 | C37 | H37 | 180.0° | 180.0° |
| H35 | C35 | C36 | C37 | 180.0° | 179.9° |
| H35 | C35 | C36 | H36 | 0.0° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| H36 | C36 | C37 | C38 | 180.0° | 180.0° |
| H36 | C36 | C37 | H37 | 0.0° | 0.1° |
| H37 | C37 | C38 | H38 | 0.1° | 0.1° |
| N24 | C32 | H321 | H322 | 114.2° | 120.0° |
| C32 | N24 | C4 | C1 | 151.9° | 179.9° |
| C32 | N24 | C4 | N47 | 138.3° | 113.8° |
| C32 | N24 | C4 | H4C1 | 26.7° | 59.9° |
| C32 | N24 | C4 | H4C2 | 82.8° | 60.1° |
| C32 | N24 | N47 | C45 | 79.9° | 116.7° |
| C32 | N24 | N47 | H47 | 100.1° | 63.4° |
| H321 | C32 | N24 | C4 | 149.7° | 173.8° |
| H321 | C32 | N24 | N47 | 70.7° | 60.0° |
| H322 | C32 | N24 | C4 | 40.2° | 53.8° |
| H322 | C32 | N24 | N47 | 179.8° | 60.0° |
| O8 | C7 | H7C1 | H7C2 | 125.2° | 120.0° |
| O8 | C7 | H7C1 | H7C3 | 125.3° | 120.0° |
| O8 | C7 | H7C2 | H7C3 | 113.1° | 120.0° |
| C7 | O8 | C30 | O3 | 0.1° | 0.0° |
| C7 | O8 | C30 | N1 | 179.8° | 180.0° |
| H7C1 | C7 | H7C2 | H7C3 | 113.1° | 120.0° |
| H7C1 | C7 | O8 | C30 | 180.0° | 180.0° |
| H7C2 | C7 | O8 | C30 | 54.8° | 60.0° |
| H7C3 | C7 | O8 | C30 | 54.8° | 60.0° |
| C1 | C4 | N24 | H4C1 | 125.2° | 120.0° |
| C1 | C4 | N24 | H4C2 | 125.3° | 120.0° |
| C1 | C4 | H4C1 | H4C2 | 111.9° | 120.0° |
| C4 | C1 | C22 | O6 | 122.2° | 120.0° |
| C4 | C1 | C22 | C10 | 117.7° | 120.0° |
| C4 | C1 | C22 | H221 | 81.1° | 55.7° |
| C4 | C1 | C22 | H222 | 28.4° | 64.3° |
| C4 | C1 | O6 | C10 | 112.3° | 120.0° |
| C4 | C1 | O6 | H6 | 51.9° | 55.3° |
| C4 | C1 | C10 | O11 | 40.5° | 123.7° |
| C4 | C1 | C10 | N12 | 138.6° | 56.4° |
| C1 | C4 | N24 | N47 | 69.8° | 66.4° |
| N24 | C4 | H4C1 | H4C2 | 111.9° | 120.0° |
| N24 | C4 | C1 | C22 | 63.2° | 57.3° |
| N24 | C4 | C1 | O6 | 59.3° | 62.6° |
| N24 | C4 | C1 | C10 | 176.1° | 177.4° |
| C4 | N24 | N47 | C45 | 55.8° | 129.6° |
| C4 | N24 | N47 | H47 | 124.1° | 50.4° |
| H4C1 | C4 | C1 | C22 | 171.6° | 62.6° |
| H4C1 | C4 | C1 | O6 | 65.9° | 177.4° |
| H4C1 | C4 | C1 | C10 | 50.8° | 57.4° |
| H4C1 | C4 | N24 | N47 | 165.0° | 173.6° |
| H4C2 | C4 | C1 | C22 | 62.1° | 177.4° |
| H4C2 | C4 | C1 | O6 | 175.4° | 57.4° |
| H4C2 | C4 | C1 | C10 | 58.7° | 62.6° |
| H4C2 | C4 | N24 | N47 | 55.5° | 53.6° |
| O3 | C30 | N1 | O8 | 179.7° | 180.0° |
| O3 | C30 | N1 | C41 | 0.4° | 0.1° |
| O3 | C30 | N1 | H1 | 179.6° | 180.0° |
| C30 | N1 | C41 | H1 | 180.0° | 179.9° |
| C30 | N1 | C41 | C42 | 124.2° | 90.1° |
| C30 | N1 | C41 | C45 | 107.5° | 150.0° |
| C30 | N1 | C41 | H41 | 9.0° | 30.0° |
| C41 | N1 | C30 | O8 | 179.3° | 180.0° |
| N1 | C41 | C42 | C45 | 123.5° | 120.0° |
| N1 | C41 | C42 | H41 | 115.1° | 120.0° |
| N1 | C41 | C45 | H41 | 116.5° | 120.0° |
| N1 | C41 | C42 | C43 | 178.8° | 175.1° |
| N1 | C41 | C42 | C44 | 57.1° | 65.0° |
| N1 | C41 | C42 | H42 | 62.0° | 55.1° |
| N1 | C41 | C45 | O46 | 62.4° | 14.9° |
| N1 | C41 | C45 | N47 | 118.6° | 165.0° |
| H1 | N1 | C30 | O8 | 0.7° | 0.0° |
| H1 | N1 | C41 | C42 | 55.8° | 90.0° |
| H1 | N1 | C41 | C45 | 72.5° | 29.9° |
| H1 | N1 | C41 | H41 | 171.0° | 150.0° |
| C1 | C22 | H221 | H222 | 116.2° | 120.0° |
| C22 | C1 | O6 | C10 | 119.6° | 120.0° |
| C22 | C1 | O6 | H6 | 180.0° | 175.3° |
| C22 | C1 | C10 | O11 | 85.7° | 116.3° |
| C22 | C1 | C10 | N12 | 95.2° | 63.6° |
| H221 | C22 | C1 | O6 | 41.1° | 64.3° |
| H221 | C22 | C1 | C10 | 161.2° | 175.7° |
| H222 | C22 | C1 | O6 | 150.6° | 175.7° |
| H222 | C22 | C1 | C10 | 89.3° | 55.7° |
| O6 | C1 | C10 | O11 | 155.5° | 3.7° |
| O6 | C1 | C10 | N12 | 23.7° | 176.4° |
| H6 | O6 | C1 | C10 | 60.4° | 64.7° |
| O11 | C10 | N12 | C1 | 179.1° | 179.9° |
| O11 | C10 | N12 | C51 | 0.7° | 4.6° |
| O11 | C10 | N12 | H12 | 179.2° | 175.5° |
| C10 | N12 | C51 | H12 | 180.0° | 179.9° |
| C10 | N12 | C51 | C52 | 88.4° | 86.5° |
| C10 | N12 | C51 | C59 | 151.2° | 157.7° |
| C10 | N12 | C51 | H51 | 31.3° | 35.5° |
| C1 | C10 | N12 | C51 | 178.4° | 175.4° |
| C1 | C10 | N12 | H12 | 1.6° | 4.5° |
| N12 | C51 | C52 | C59 | 126.6° | 119.0° |
| N12 | C51 | C52 | H51 | 119.7° | 122.0° |
| N12 | C51 | C59 | H51 | 119.9° | 122.1° |
| N12 | C51 | C52 | C57 | 146.9° | 136.1° |
| N12 | C51 | C52 | C53 | 32.9° | 43.7° |
| N12 | C51 | C59 | O60 | 45.9° | 26.8° |
| N12 | C51 | C59 | C58 | 158.5° | 145.3° |
| N12 | C51 | C59 | H59 | 81.2° | 96.5° |
| H12 | N12 | C51 | C52 | 91.6° | 93.6° |
| H12 | N12 | C51 | C59 | 28.7° | 22.2° |
| H12 | N12 | C51 | H51 | 148.7° | 144.4° |
| C52 | C51 | C59 | H51 | 113.7° | 119.0° |
| C51 | C52 | C57 | C53 | 179.8° | 179.9° |
| C51 | C52 | C57 | C56 | 179.8° | 180.0° |
| C51 | C52 | C57 | C58 | 0.2° | 0.0° |
| C51 | C52 | C53 | C54 | 179.7° | 179.9° |
| C51 | C52 | C53 | H53 | 0.3° | 0.1° |
| C52 | C51 | C59 | O60 | 80.5° | 92.1° |
| C52 | C51 | C59 | C58 | 32.1° | 26.3° |
| C52 | C51 | C59 | H59 | 152.3° | 144.5° |
| C59 | C51 | C52 | C57 | 20.3° | 17.1° |
| C59 | C51 | C52 | C53 | 159.5° | 162.7° |
| C51 | C59 | C58 | C57 | 31.7° | 26.3° |
| C51 | C59 | O60 | C58 | 111.2° | 113.1° |
| C51 | C59 | O60 | H59 | 127.1° | 123.4° |
| C51 | C59 | C58 | H59 | 120.2° | 118.2° |
| C51 | C59 | O60 | H60 | 180.0° | 180.0° |
| C51 | C59 | C58 | H581 | 93.6° | 145.4° |
| C51 | C59 | C58 | H582 | 157.0° | 92.5° |
| H51 | C51 | C52 | C57 | 93.4° | 101.8° |
| H51 | C51 | C52 | C53 | 86.8° | 78.3° |
| H51 | C51 | C59 | O60 | 165.8° | 148.9° |
| H51 | C51 | C59 | C58 | 81.6° | 92.6° |
| H51 | C51 | C59 | H59 | 38.6° | 25.6° |
| C52 | C57 | C56 | C58 | 179.9° | 180.0° |
| C57 | C52 | C53 | C54 | 0.1° | 0.1° |
| C57 | C52 | C53 | H53 | 179.9° | 180.0° |
| C52 | C57 | C56 | C55 | 0.0° | 0.0° |
| C52 | C57 | C58 | C59 | 20.7° | 17.2° |
| C52 | C57 | C56 | H56 | 180.0° | 180.0° |
| C52 | C57 | C58 | H581 | 104.5° | 136.2° |
| C52 | C57 | C58 | H582 | 146.0° | 101.7° |
| C53 | C52 | C57 | C56 | 0.1° | 0.1° |
| C53 | C52 | C57 | C58 | 180.0° | 179.9° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.0° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C57 | C56 | C55 | C54 | 0.0° | 0.0° |
| C57 | C56 | C55 | H56 | 180.0° | 180.0° |
| C57 | C56 | C55 | H55 | 179.9° | 180.0° |
| C56 | C57 | C58 | C59 | 159.2° | 162.8° |
| C56 | C57 | C58 | H581 | 75.6° | 43.9° |
| C56 | C57 | C58 | H582 | 33.9° | 78.3° |
| C58 | C57 | C56 | C55 | 179.9° | 180.0° |
| C57 | C58 | C59 | O60 | 86.5° | 92.0° |
| C57 | C58 | C59 | H581 | 125.3° | 119.0° |
| C57 | C58 | C59 | H582 | 125.3° | 118.9° |
| C57 | C58 | C59 | H59 | 151.9° | 144.5° |
| C58 | C57 | C56 | H56 | 0.1° | 0.0° |
| C57 | C58 | H581 | H582 | 120.7° | 122.1° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.0° | 0.0° |
| C53 | C54 | C55 | H55 | 180.0° | 180.0° |
| H53 | C53 | C54 | C55 | 179.9° | 180.0° |
| H53 | C53 | C54 | H54 | 0.1° | 0.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | H56 | 180.0° | 180.0° |
| H54 | C54 | C55 | C56 | 180.0° | 180.0° |
| H54 | C54 | C55 | H55 | 0.0° | 0.1° |
| H55 | C55 | C56 | H56 | 0.0° | 0.0° |
| O60 | C59 | C58 | H59 | 121.6° | 123.5° |
| O60 | C59 | C58 | H581 | 148.3° | 27.0° |
| O60 | C59 | C58 | H582 | 38.8° | 149.1° |
| C58 | C59 | O60 | H60 | 68.8° | 66.9° |
| C59 | C58 | H581 | H582 | 120.7° | 122.1° |
| H59 | C59 | O60 | H60 | 52.9° | 56.6° |
| H59 | C59 | C58 | H581 | 26.6° | 96.5° |
| H59 | C59 | C58 | H582 | 82.8° | 25.6° |
| C42 | C41 | C45 | H41 | 121.4° | 120.0° |
| C41 | C42 | C43 | C44 | 125.2° | 120.0° |
| C41 | C42 | C43 | H42 | 119.2° | 120.0° |
| C41 | C42 | C44 | H42 | 119.1° | 120.0° |
| C41 | C42 | C43 | H431 | 180.0° | 67.5° |
| C41 | C42 | C43 | H432 | 54.7° | 52.5° |
| C41 | C42 | C43 | H433 | 54.7° | 172.5° |
| C41 | C42 | C44 | H441 | 180.0° | 174.7° |
| C41 | C42 | C44 | H442 | 54.7° | 54.8° |
| C41 | C42 | C44 | H443 | 54.7° | 65.2° |
| C42 | C41 | C45 | O46 | 59.8° | 105.0° |
| C42 | C41 | C45 | N47 | 119.3° | 75.1° |
| C45 | C41 | C42 | C43 | 57.7° | 65.0° |
| C45 | C41 | C42 | C44 | 179.4° | 55.0° |
| C45 | C41 | C42 | H42 | 61.5° | 175.0° |
| C41 | C45 | O46 | N47 | 178.9° | 179.9° |
| C41 | C45 | N47 | N24 | 156.4° | 89.2° |
| C41 | C45 | N47 | H47 | 23.6° | 90.9° |
| H41 | C41 | C42 | C43 | 63.7° | 55.0° |
| H41 | C41 | C42 | C44 | 58.0° | 175.0° |
| H41 | C41 | C42 | H42 | 177.1° | 65.0° |
| H41 | C41 | C45 | O46 | 178.9° | 134.9° |
| H41 | C41 | C45 | N47 | 2.1° | 45.0° |
| C43 | C42 | C44 | H42 | 115.6° | 120.0° |
| C42 | C43 | H431 | H432 | 125.3° | 120.0° |
| C42 | C43 | H431 | H433 | 125.3° | 120.1° |
| C42 | C43 | H432 | H433 | 116.7° | 120.0° |
| C43 | C42 | C44 | H441 | 54.7° | 65.2° |
| C43 | C42 | C44 | H442 | 180.0° | 174.8° |
| C43 | C42 | C44 | H443 | 70.6° | 54.8° |
| C44 | C42 | C43 | H431 | 54.8° | 52.6° |
| C44 | C42 | C43 | H432 | 70.4° | 172.5° |
| C44 | C42 | C43 | H433 | 179.9° | 67.5° |
| C42 | C44 | H441 | H442 | 125.3° | 120.0° |
| C42 | C44 | H441 | H443 | 125.2° | 120.0° |
| C42 | C44 | H442 | H443 | 116.7° | 120.0° |
| H42 | C42 | C43 | H431 | 60.8° | 172.5° |
| H42 | C42 | C43 | H432 | 173.9° | 67.5° |
| H42 | C42 | C43 | H433 | 64.5° | 52.4° |
| H42 | C42 | C44 | H441 | 60.9° | 54.7° |
| H42 | C42 | C44 | H442 | 64.3° | 65.2° |
| H42 | C42 | C44 | H443 | 173.8° | 174.8° |
| H431 | C43 | H432 | H433 | 116.7° | 120.0° |
| H441 | C44 | H442 | H443 | 116.8° | 120.0° |
| O46 | C45 | N47 | N24 | 24.6° | 90.7° |
| O46 | C45 | N47 | H47 | 155.4° | 89.2° |
| C45 | N47 | N24 | H47 | 180.0° | 180.0° |
