1AH
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 | 1.45Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.49Å | |
| C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | BR | sing | 1.89Å | 1.88Å | |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | N24 | sing | 1.47Å | 1.50Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C7 | O8 | sing | 1.45Å | 1.43Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C3 | sing | 1.09Å | 1.10Å | |
| C4 | C1 | sing | 1.53Å | 1.55Å | |
| C4 | N24 | sing | 1.47Å | 1.41Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| O3 | C30 | doub | 1.22Å | 1.26Å | |
| N1 | C30 | sing | 1.35Å | 1.35Å | |
| N1 | C41 | sing | 1.46Å | 1.48Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C22 | C1 | sing | 1.53Å | 1.58Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O6 | C1 | sing | 1.43Å | 1.41Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O8 | C30 | sing | 1.35Å | 1.36Å | |
| C10 | O11 | doub | 1.21Å | 1.24Å | |
| C10 | N12 | sing | 1.35Å | 1.34Å | |
| C10 | C1 | sing | 1.51Å | 1.57Å | |
| N12 | C51 | sing | 1.47Å | 1.47Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| C51 | C59 | sing | 1.54Å | 1.55Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C52 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.43Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.42Å | Aromatic |
| C57 | C58 | sing | 1.51Å | 1.52Å | |
| C53 | C54 | doub | 1.38Å | 1.44Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.08Å | |
| C54 | C55 | sing | 1.38Å | 1.44Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | C56 | doub | 1.38Å | 1.44Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C59 | O60 | sing | 1.43Å | 1.43Å | |
| C59 | C58 | sing | 1.54Å | 1.54Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| O60 | H60 | sing | 0.97Å | 0.95Å | |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.57Å | |
| C41 | C45 | sing | 1.51Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.56Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | C86 | sing | 1.53Å | 1.54Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | O46 | doub | 1.21Å | 1.23Å | |
| C45 | N47 | sing | 1.35Å | 1.36Å | |
| N24 | N47 | sing | 1.37Å | 1.39Å | |
| N47 | H47 | sing | 0.97Å | 1.00Å | |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| C86 | H863 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C28 | 119.5° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C28 | C23 | C22 | 120.4° | 120.0° |
| C23 | C28 | C27 | 119.9° | 120.0° |
| C23 | C28 | H28 | 120.0° | 120.0° |
| C23 | C22 | C1 | 114.1° | 109.5° |
| C23 | C22 | H221 | 106.9° | 109.4° |
| C23 | C22 | H222 | 108.0° | 109.5° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C34 | C33 | C38 | 120.9° | 120.0° |
| C34 | C33 | C32 | 118.8° | 120.0° |
| C33 | C34 | C35 | 119.5° | 120.0° |
| C33 | C34 | H34 | 120.3° | 120.0° |
| C38 | C33 | C32 | 120.3° | 120.0° |
| C33 | C38 | C37 | 119.7° | 120.0° |
| C33 | C38 | H38 | 120.1° | 120.0° |
| C33 | C32 | N24 | 113.6° | 109.5° |
| C33 | C32 | H321 | 107.2° | 109.4° |
| C33 | C32 | H322 | 108.1° | 109.5° |
| C35 | C34 | H34 | 120.2° | 120.0° |
| C34 | C35 | C36 | 119.7° | 120.0° |
| C34 | C35 | H35 | 120.2° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C35 | C36 | C37 | 120.7° | 120.0° |
| C35 | C36 | BR | 119.6° | 120.0° |
| C37 | C36 | BR | 119.7° | 120.0° |
| C36 | C37 | C38 | 119.6° | 120.0° |
| C36 | C37 | H37 | 120.2° | 120.0° |
| C38 | C37 | H37 | 120.2° | 120.0° |
| C37 | C38 | H38 | 120.2° | 120.0° |
| N24 | C32 | H321 | 107.2° | 109.5° |
| N24 | C32 | H322 | 108.1° | 109.5° |
| C32 | N24 | C4 | 97.4° | 106.7° |
| C32 | N24 | N47 | 119.4° | 106.7° |
| H321 | C32 | H322 | 112.7° | 109.5° |
| O8 | C7 | H7C1 | 109.4° | 109.5° |
| O8 | C7 | H7C2 | 109.4° | 109.5° |
| O8 | C7 | H7C3 | 109.5° | 109.4° |
| C7 | O8 | C30 | 122.1° | 120.0° |
| H7C1 | C7 | H7C2 | 109.5° | 109.5° |
| H7C1 | C7 | H7C3 | 109.5° | 109.5° |
| H7C2 | C7 | H7C3 | 109.4° | 109.5° |
| C1 | C4 | N24 | 128.6° | 109.5° |
| C1 | C4 | H4C1 | 99.0° | 109.4° |
| C1 | C4 | H4C2 | 103.5° | 109.5° |
| C4 | C1 | C22 | 117.7° | 109.4° |
| C4 | C1 | O6 | 109.9° | 109.5° |
| C4 | C1 | C10 | 98.3° | 109.5° |
| N24 | C4 | H4C1 | 99.0° | 109.5° |
| N24 | C4 | H4C2 | 103.5° | 109.5° |
| C4 | N24 | N47 | 126.3° | 106.7° |
| H4C1 | C4 | H4C2 | 126.1° | 109.5° |
| O3 | C30 | N1 | 120.9° | 120.0° |
| O3 | C30 | O8 | 122.8° | 120.0° |
| C30 | N1 | C41 | 127.5° | 120.0° |
| C30 | N1 | H1 | 116.3° | 120.0° |
| N1 | C30 | O8 | 116.3° | 120.0° |
| C41 | N1 | H1 | 116.3° | 119.9° |
| N1 | C41 | C42 | 108.8° | 109.5° |
| N1 | C41 | C45 | 107.7° | 109.5° |
| N1 | C41 | H41 | 114.1° | 109.4° |
| C1 | C22 | H221 | 106.9° | 109.4° |
| C1 | C22 | H222 | 107.9° | 109.5° |
| C22 | C1 | O6 | 108.7° | 109.4° |
| C22 | C1 | C10 | 112.2° | 109.5° |
| H221 | C22 | H222 | 113.2° | 109.5° |
| C1 | O6 | H6 | 109.5° | 106.8° |
| O6 | C1 | C10 | 109.7° | 109.5° |
| O11 | C10 | N12 | 119.6° | 120.0° |
| O11 | C10 | C1 | 118.5° | 120.0° |
| N12 | C10 | C1 | 121.8° | 120.0° |
| C10 | N12 | C51 | 121.7° | 120.0° |
| C10 | N12 | H12 | 119.1° | 120.0° |
| C51 | N12 | H12 | 119.2° | 120.0° |
| N12 | C51 | C52 | 116.6° | 110.2° |
| N12 | C51 | C59 | 114.1° | 110.3° |
| N12 | C51 | H51 | 99.1° | 110.3° |
| C52 | C51 | C59 | 103.7° | 105.2° |
| C52 | C51 | H51 | 110.5° | 110.3° |
| C51 | C52 | C57 | 108.5° | 109.7° |
| C51 | C52 | C53 | 129.9° | 130.5° |
| C59 | C51 | H51 | 113.2° | 110.3° |
| C51 | C59 | O60 | 111.2° | 110.9° |
| C51 | C59 | C58 | 102.6° | 102.4° |
| C51 | C59 | H59 | 111.9° | 110.8° |
| C57 | C52 | C53 | 121.5° | 119.8° |
| C52 | C57 | C56 | 121.3° | 119.8° |
| C52 | C57 | C58 | 110.3° | 109.8° |
| C52 | C53 | C54 | 118.2° | 120.3° |
| C52 | C53 | H53 | 120.9° | 119.9° |
| C56 | C57 | C58 | 128.4° | 130.4° |
| C57 | C56 | C55 | 118.1° | 120.2° |
| C57 | C56 | H56 | 121.0° | 119.9° |
| C57 | C58 | C59 | 102.2° | 105.2° |
| C57 | C58 | H581 | 113.5° | 110.3° |
| C57 | C58 | H582 | 112.0° | 110.3° |
| C54 | C53 | H53 | 120.9° | 119.9° |
| C53 | C54 | C55 | 120.0° | 119.9° |
| C53 | C54 | H54 | 120.0° | 120.0° |
| C55 | C54 | H54 | 120.0° | 120.0° |
| C54 | C55 | C56 | 120.9° | 119.9° |
| C54 | C55 | H55 | 119.5° | 120.0° |
| C56 | C55 | H55 | 119.6° | 120.0° |
| C55 | C56 | H56 | 121.0° | 119.9° |
| O60 | C59 | C58 | 106.6° | 111.0° |
| O60 | C59 | H59 | 108.2° | 110.7° |
| C59 | O60 | H60 | 109.5° | 106.8° |
| C58 | C59 | H59 | 116.2° | 110.8° |
| C59 | C58 | H581 | 113.5° | 110.3° |
| C59 | C58 | H582 | 112.0° | 110.3° |
| H581 | C58 | H582 | 104.0° | 110.4° |
| C42 | C41 | C45 | 117.0° | 109.4° |
| C42 | C41 | H41 | 104.2° | 109.4° |
| C41 | C42 | C43 | 112.8° | 109.5° |
| C41 | C42 | C44 | 113.0° | 109.5° |
| C41 | C42 | C86 | 109.0° | 109.5° |
| C45 | C41 | H41 | 105.3° | 109.5° |
| C41 | C45 | O46 | 120.6° | 120.0° |
| C41 | C45 | N47 | 116.7° | 120.1° |
| C43 | C42 | C44 | 106.3° | 109.5° |
| C43 | C42 | C86 | 106.6° | 109.5° |
| C42 | C43 | H431 | 109.5° | 109.5° |
| C42 | C43 | H432 | 109.4° | 109.5° |
| C42 | C43 | H433 | 109.5° | 109.5° |
| C44 | C42 | C86 | 108.9° | 109.5° |
| C42 | C44 | H441 | 109.4° | 109.5° |
| C42 | C44 | H442 | 109.5° | 109.5° |
| C42 | C44 | H443 | 109.5° | 109.5° |
| C42 | C86 | H861 | 109.5° | 109.5° |
| C42 | C86 | H862 | 109.5° | 109.5° |
| C42 | C86 | H863 | 109.5° | 109.4° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.4° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.4° |
| H442 | C44 | H443 | 109.4° | 109.4° |
| O46 | C45 | N47 | 122.7° | 120.0° |
| C45 | N47 | N24 | 128.0° | 119.9° |
| C45 | N47 | H47 | 116.0° | 120.0° |
| N24 | N47 | H47 | 116.0° | 120.0° |
| H861 | C86 | H862 | 109.5° | 109.5° |
| H861 | C86 | H863 | 109.4° | 109.5° |
| H862 | C86 | H863 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C28 | C22 | 178.4° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| C24 | C23 | C28 | C27 | 0.2° | 0.5° |
| C24 | C23 | C28 | H28 | 179.8° | 179.9° |
| C24 | C23 | C22 | C1 | 101.0° | 101.6° |
| C24 | C23 | C22 | H221 | 141.1° | 18.4° |
| C24 | C23 | C22 | H222 | 19.0° | 138.4° |
| C28 | C23 | C24 | C25 | 0.2° | 0.3° |
| C28 | C23 | C24 | H24 | 179.8° | 179.8° |
| C23 | C28 | C27 | C26 | 0.0° | 0.5° |
| C23 | C28 | C27 | H28 | 180.0° | 179.6° |
| C23 | C28 | C27 | H27 | 180.0° | 179.8° |
| C28 | C23 | C22 | C1 | 77.4° | 78.7° |
| C28 | C23 | C22 | H221 | 40.5° | 161.4° |
| C28 | C23 | C22 | H222 | 162.6° | 41.4° |
| C22 | C23 | C24 | C25 | 178.3° | 180.0° |
| C22 | C23 | C24 | H24 | 1.7° | 0.0° |
| C22 | C23 | C28 | C27 | 178.3° | 179.8° |
| C22 | C23 | C28 | H28 | 1.7° | 0.2° |
| C23 | C22 | C1 | C4 | 142.0° | 62.6° |
| C23 | C22 | C1 | H221 | 118.0° | 120.0° |
| C23 | C22 | C1 | H222 | 120.0° | 120.1° |
| C23 | C22 | H221 | H222 | 118.7° | 120.0° |
| C23 | C22 | C1 | O6 | 92.4° | 57.4° |
| C23 | C22 | C1 | C10 | 29.0° | 177.4° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.9° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | H28 | 180.0° | 179.9° |
| H26 | C26 | C27 | C28 | 179.9° | 179.9° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| H27 | C27 | C28 | H28 | 0.0° | 0.2° |
| C34 | C33 | C38 | C32 | 179.2° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C33 | C38 | C37 | 0.5° | 0.5° |
| C34 | C33 | C38 | H38 | 179.5° | 180.0° |
| C34 | C33 | C32 | N24 | 67.8° | 91.6° |
| C34 | C33 | C32 | H321 | 50.4° | 28.4° |
| C34 | C33 | C32 | H322 | 172.2° | 148.3° |
| C38 | C33 | C34 | C35 | 0.5° | 0.2° |
| C38 | C33 | C34 | H34 | 179.5° | 179.8° |
| C33 | C38 | C37 | C36 | 0.0° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.5° |
| C33 | C38 | C37 | H37 | 180.0° | 179.8° |
| C38 | C33 | C32 | N24 | 111.4° | 88.6° |
| C38 | C33 | C32 | H321 | 130.4° | 151.4° |
| C38 | C33 | C32 | H322 | 8.6° | 31.4° |
| C32 | C33 | C34 | C35 | 178.7° | 180.0° |
| C32 | C33 | C34 | H34 | 1.3° | 0.0° |
| C32 | C33 | C38 | C37 | 178.7° | 179.7° |
| C32 | C33 | C38 | H38 | 1.4° | 0.2° |
| C33 | C32 | N24 | H321 | 118.2° | 120.0° |
| C33 | C32 | N24 | H322 | 120.0° | 120.0° |
| C33 | C32 | H321 | H322 | 118.9° | 120.0° |
| C33 | C32 | N24 | C4 | 160.6° | 72.2° |
| C33 | C32 | N24 | N47 | 60.2° | 174.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.5° | 0.0° |
| C34 | C35 | C36 | BR | 178.9° | 180.0° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| C35 | C36 | C37 | BR | 179.4° | 180.0° |
| C35 | C36 | C37 | C38 | 0.5° | 0.3° |
| C35 | C36 | C37 | H37 | 179.5° | 180.0° |
| H35 | C35 | C36 | C37 | 179.5° | 180.0° |
| H35 | C35 | C36 | BR | 1.1° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.7° |
| C36 | C37 | C38 | H38 | 180.0° | 180.0° |
| BR | C36 | C37 | C38 | 178.9° | 179.7° |
| BR | C36 | C37 | H37 | 1.1° | 0.0° |
| H37 | C37 | C38 | H38 | 0.0° | 0.2° |
| N24 | C32 | H321 | H322 | 118.9° | 120.0° |
| C32 | N24 | C4 | C1 | 174.2° | 155.5° |
| C32 | N24 | C4 | N47 | 135.1° | 113.7° |
| C32 | N24 | C4 | H4C1 | 64.9° | 35.5° |
| C32 | N24 | C4 | H4C2 | 65.8° | 84.5° |
| C32 | N24 | N47 | C45 | 43.1° | 113.5° |
| C32 | N24 | N47 | H47 | 136.9° | 66.4° |
| H321 | C32 | N24 | C4 | 42.4° | 167.9° |
| H321 | C32 | N24 | N47 | 178.4° | 54.2° |
| H322 | C32 | N24 | C4 | 79.4° | 47.9° |
| H322 | C32 | N24 | N47 | 59.9° | 65.9° |
| O8 | C7 | H7C1 | H7C2 | 120.0° | 120.0° |
| O8 | C7 | H7C1 | H7C3 | 120.0° | 120.0° |
| O8 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| C7 | O8 | C30 | O3 | 0.1° | 0.0° |
| C7 | O8 | C30 | N1 | 179.8° | 180.0° |
| H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.1° |
| H7C1 | C7 | O8 | C30 | 167.0° | 180.0° |
| H7C2 | C7 | O8 | C30 | 46.9° | 60.0° |
| H7C3 | C7 | O8 | C30 | 73.0° | 60.0° |
| C1 | C4 | N24 | H4C1 | 109.3° | 119.9° |
| C1 | C4 | N24 | H4C2 | 120.0° | 120.0° |
| C1 | C4 | H4C1 | H4C2 | 114.2° | 120.0° |
| C4 | C1 | C22 | O6 | 125.6° | 120.0° |
| C4 | C1 | C22 | C10 | 113.0° | 120.0° |
| C4 | C1 | C22 | H221 | 100.0° | 57.4° |
| C4 | C1 | C22 | H222 | 22.0° | 177.4° |
| C4 | C1 | O6 | C10 | 107.0° | 120.0° |
| C4 | C1 | O6 | H6 | 17.3° | 55.0° |
| C4 | C1 | C10 | O11 | 37.3° | 16.3° |
| C4 | C1 | C10 | N12 | 145.7° | 163.7° |
| C1 | C4 | N24 | N47 | 39.1° | 90.8° |
| N24 | C4 | H4C1 | H4C2 | 114.1° | 120.0° |
| N24 | C4 | C1 | C22 | 59.6° | 69.5° |
| N24 | C4 | C1 | O6 | 65.4° | 170.5° |
| N24 | C4 | C1 | C10 | 179.9° | 50.5° |
| C4 | N24 | N47 | C45 | 83.5° | 132.7° |
| C4 | N24 | N47 | H47 | 96.5° | 47.3° |
| H4C1 | C4 | C1 | C22 | 49.7° | 170.5° |
| H4C1 | C4 | C1 | O6 | 174.7° | 50.5° |
| H4C1 | C4 | C1 | C10 | 70.8° | 69.5° |
| H4C1 | C4 | N24 | N47 | 70.2° | 149.3° |
| H4C2 | C4 | C1 | C22 | 179.6° | 50.5° |
| H4C2 | C4 | C1 | O6 | 54.6° | 69.4° |
| H4C2 | C4 | C1 | C10 | 59.9° | 170.5° |
| H4C2 | C4 | N24 | N47 | 159.1° | 29.3° |
| O3 | C30 | N1 | O8 | 179.9° | 180.0° |
| O3 | C30 | N1 | C41 | 0.2° | 0.0° |
| O3 | C30 | N1 | H1 | 179.8° | 180.0° |
| C30 | N1 | C41 | H1 | 180.0° | 180.0° |
| C30 | N1 | C41 | C42 | 112.6° | 85.0° |
| C30 | N1 | C41 | C45 | 119.7° | 155.0° |
| C30 | N1 | C41 | H41 | 3.2° | 35.0° |
| C41 | N1 | C30 | O8 | 179.7° | 180.0° |
| N1 | C41 | C42 | C45 | 122.3° | 120.1° |
| N1 | C41 | C42 | H41 | 122.0° | 120.0° |
| N1 | C41 | C45 | H41 | 122.1° | 120.0° |
| N1 | C41 | C42 | C43 | 59.6° | 56.4° |
| N1 | C41 | C42 | C44 | 179.8° | 176.4° |
| N1 | C41 | C42 | C86 | 58.6° | 63.6° |
| N1 | C41 | C45 | O46 | 64.1° | 35.4° |
| N1 | C41 | C45 | N47 | 116.0° | 144.6° |
| H1 | N1 | C30 | O8 | 0.4° | 0.0° |
| H1 | N1 | C41 | C42 | 67.3° | 95.0° |
| H1 | N1 | C41 | C45 | 60.4° | 25.0° |
| H1 | N1 | C41 | H41 | 176.8° | 145.0° |
| C1 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C1 | O6 | C10 | 123.0° | 120.0° |
| C22 | C1 | O6 | H6 | 147.4° | 175.0° |
| C22 | C1 | C10 | O11 | 87.2° | 103.7° |
| C22 | C1 | C10 | N12 | 89.8° | 76.3° |
| H221 | C22 | C1 | O6 | 25.6° | 177.3° |
| H221 | C22 | C1 | C10 | 147.0° | 62.6° |
| H222 | C22 | C1 | O6 | 147.6° | 62.7° |
| H222 | C22 | C1 | C10 | 91.0° | 57.3° |
| O6 | C1 | C10 | O11 | 152.0° | 136.3° |
| O6 | C1 | C10 | N12 | 31.1° | 43.6° |
| H6 | O6 | C1 | C10 | 89.7° | 65.0° |
| O11 | C10 | N12 | C1 | 176.9° | 180.0° |
| O11 | C10 | N12 | C51 | 1.0° | 0.1° |
| O11 | C10 | N12 | H12 | 179.0° | 180.0° |
| C10 | N12 | C51 | H12 | 180.0° | 179.9° |
| C10 | N12 | C51 | C52 | 83.3° | 87.8° |
| C10 | N12 | C51 | C59 | 155.8° | 156.3° |
| C10 | N12 | C51 | H51 | 35.2° | 34.2° |
| C1 | C10 | N12 | C51 | 175.9° | 180.0° |
| C1 | C10 | N12 | H12 | 4.1° | 0.1° |
| N12 | C51 | C52 | C59 | 126.3° | 119.0° |
| N12 | C51 | C52 | H51 | 112.1° | 122.0° |
| N12 | C51 | C59 | H51 | 112.4° | 122.1° |
| N12 | C51 | C52 | C57 | 148.0° | 136.1° |
| N12 | C51 | C52 | C53 | 31.9° | 43.8° |
| N12 | C51 | C59 | O60 | 48.3° | 26.8° |
| N12 | C51 | C59 | C58 | 161.9° | 145.3° |
| N12 | C51 | C59 | H59 | 72.8° | 96.5° |
| H12 | N12 | C51 | C52 | 96.8° | 92.2° |
| H12 | N12 | C51 | C59 | 24.2° | 23.6° |
| H12 | N12 | C51 | H51 | 144.8° | 145.7° |
| C52 | C51 | C59 | H51 | 119.7° | 119.0° |
| C51 | C52 | C57 | C53 | 179.9° | 179.9° |
| C51 | C52 | C57 | C56 | 179.8° | 180.0° |
| C51 | C52 | C57 | C58 | 0.0° | 0.1° |
| C51 | C52 | C53 | C54 | 179.7° | 179.9° |
| C51 | C52 | C53 | H53 | 0.3° | 0.1° |
| C52 | C51 | C59 | O60 | 79.6° | 92.1° |
| C52 | C51 | C59 | C58 | 34.0° | 26.3° |
| C52 | C51 | C59 | H59 | 159.3° | 144.5° |
| C59 | C51 | C52 | C57 | 21.7° | 17.1° |
| C59 | C51 | C52 | C53 | 158.2° | 162.7° |
| C51 | C59 | C58 | C57 | 33.4° | 26.4° |
| C51 | C59 | O60 | C58 | 111.1° | 113.1° |
| C51 | C59 | O60 | H59 | 123.3° | 123.4° |
| C51 | C59 | C58 | H59 | 122.3° | 118.2° |
| C51 | C59 | O60 | H60 | 101.5° | 180.0° |
| C51 | C59 | C58 | H581 | 156.1° | 145.3° |
| C51 | C59 | C58 | H582 | 86.6° | 92.5° |
| H51 | C51 | C52 | C57 | 99.9° | 101.9° |
| H51 | C51 | C52 | C53 | 80.2° | 78.3° |
| H51 | C51 | C59 | O60 | 160.7° | 148.9° |
| H51 | C51 | C59 | C58 | 85.7° | 92.7° |
| H51 | C51 | C59 | H59 | 39.6° | 25.5° |
| C52 | C57 | C56 | C58 | 179.8° | 179.9° |
| C57 | C52 | C53 | C54 | 0.2° | 0.1° |
| C57 | C52 | C53 | H53 | 179.8° | 179.9° |
| C52 | C57 | C56 | C55 | 0.1° | 0.1° |
| C52 | C57 | C58 | C59 | 21.6° | 17.3° |
| C52 | C57 | C56 | H56 | 179.9° | 179.9° |
| C52 | C57 | C58 | H581 | 144.2° | 136.1° |
| C52 | C57 | C58 | H582 | 98.4° | 101.6° |
| C53 | C52 | C57 | C56 | 0.1° | 0.1° |
| C53 | C52 | C57 | C58 | 179.9° | 180.0° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.1° |
| C52 | C53 | C54 | H54 | 179.9° | 180.0° |
| C57 | C56 | C55 | C54 | 0.2° | 0.1° |
| C57 | C56 | C55 | H56 | 180.0° | 179.9° |
| C57 | C56 | C55 | H55 | 179.8° | 180.0° |
| C56 | C57 | C58 | C59 | 158.2° | 162.9° |
| C56 | C57 | C58 | H581 | 35.6° | 44.0° |
| C56 | C57 | C58 | H582 | 81.8° | 78.2° |
| C58 | C57 | C56 | C55 | 179.7° | 180.0° |
| C57 | C58 | C59 | O60 | 83.5° | 92.0° |
| C57 | C58 | C59 | H581 | 122.6° | 118.9° |
| C57 | C58 | C59 | H582 | 120.0° | 118.9° |
| C57 | C58 | C59 | H59 | 155.8° | 144.6° |
| C58 | C57 | C56 | H56 | 0.3° | 0.1° |
| C57 | C58 | H581 | H582 | 121.9° | 122.2° |
| C53 | C54 | C55 | H54 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.1° | 0.0° |
| C53 | C54 | C55 | H55 | 179.9° | 180.0° |
| H53 | C53 | C54 | C55 | 179.9° | 179.9° |
| H53 | C53 | C54 | H54 | 0.1° | 0.0° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | H56 | 179.8° | 180.0° |
| H54 | C54 | C55 | C56 | 179.9° | 180.0° |
| H54 | C54 | C55 | H55 | 0.1° | 0.1° |
| H55 | C55 | C56 | H56 | 0.2° | 0.1° |
| O60 | C59 | C58 | H59 | 120.7° | 123.5° |
| O60 | C59 | C58 | H581 | 39.1° | 26.9° |
| O60 | C59 | C58 | H582 | 156.5° | 149.1° |
| C58 | C59 | O60 | H60 | 147.4° | 66.9° |
| C59 | C58 | H581 | H582 | 121.9° | 122.1° |
| H59 | C59 | O60 | H60 | 21.8° | 56.6° |
| H59 | C59 | C58 | H581 | 81.6° | 96.5° |
| H59 | C59 | C58 | H582 | 35.8° | 25.6° |
| C42 | C41 | C45 | H41 | 115.1° | 119.9° |
| C41 | C42 | C43 | C44 | 124.4° | 120.0° |
| C41 | C42 | C43 | C86 | 119.6° | 120.0° |
| C41 | C42 | C44 | C86 | 121.2° | 120.0° |
| C41 | C42 | C43 | H431 | 45.2° | 65.1° |
| C41 | C42 | C43 | H432 | 74.8° | 174.9° |
| C41 | C42 | C43 | H433 | 165.2° | 54.9° |
| C41 | C42 | C44 | H441 | 110.0° | 51.6° |
| C41 | C42 | C44 | H442 | 130.0° | 171.6° |
| C41 | C42 | C44 | H443 | 10.0° | 68.4° |
| C42 | C41 | C45 | O46 | 58.7° | 84.7° |
| C42 | C41 | C45 | N47 | 121.2° | 95.4° |
| C41 | C42 | C86 | H861 | 104.6° | 60.0° |
| C41 | C42 | C86 | H862 | 135.4° | 180.0° |
| C41 | C42 | C86 | H863 | 15.3° | 60.0° |
| C45 | C41 | C42 | C43 | 178.2° | 63.7° |
| C45 | C41 | C42 | C44 | 57.5° | 56.3° |
| C45 | C41 | C42 | C86 | 63.7° | 176.4° |
| C41 | C45 | O46 | N47 | 179.9° | 179.9° |
| C41 | C45 | N47 | N24 | 155.2° | 7.5° |
| C41 | C45 | N47 | H47 | 24.8° | 172.4° |
| H41 | C41 | C42 | C43 | 62.4° | 176.4° |
| H41 | C41 | C42 | C44 | 58.2° | 63.6° |
| H41 | C41 | C42 | C86 | 179.4° | 56.4° |
| H41 | C41 | C45 | O46 | 173.8° | 155.4° |
| H41 | C41 | C45 | N47 | 6.1° | 24.5° |
| C43 | C42 | C44 | C86 | 114.5° | 120.0° |
| C42 | C43 | H431 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H433 | 120.0° | 120.0° |
| C42 | C43 | H432 | H433 | 120.0° | 120.0° |
| C43 | C42 | C44 | H441 | 125.8° | 171.6° |
| C43 | C42 | C44 | H442 | 5.7° | 68.4° |
| C43 | C42 | C44 | H443 | 114.2° | 51.6° |
| C43 | C42 | C86 | H861 | 17.4° | 60.0° |
| C43 | C42 | C86 | H862 | 102.6° | 60.0° |
| C43 | C42 | C86 | H863 | 137.4° | 180.0° |
| C44 | C42 | C43 | H431 | 169.6° | 54.9° |
| C44 | C42 | C43 | H432 | 49.6° | 65.1° |
| C44 | C42 | C43 | H433 | 70.4° | 174.9° |
| C42 | C44 | H441 | H442 | 120.0° | 120.0° |
| C42 | C44 | H441 | H443 | 120.0° | 120.0° |
| C42 | C44 | H442 | H443 | 120.0° | 120.0° |
| C44 | C42 | C86 | H861 | 131.7° | 180.0° |
| C44 | C42 | C86 | H862 | 11.7° | 60.0° |
| C44 | C42 | C86 | H863 | 108.3° | 60.0° |
| C86 | C42 | C43 | H431 | 74.4° | 175.0° |
| C86 | C42 | C43 | H432 | 165.7° | 54.9° |
| C86 | C42 | C43 | H433 | 45.7° | 65.1° |
| C86 | C42 | C44 | H441 | 11.3° | 68.4° |
| C86 | C42 | C44 | H442 | 108.8° | 51.6° |
| C86 | C42 | C44 | H443 | 131.2° | 171.6° |
| C42 | C86 | H861 | H862 | 120.0° | 120.0° |
| C42 | C86 | H861 | H863 | 120.0° | 120.0° |
| C42 | C86 | H862 | H863 | 120.0° | 120.0° |
| H431 | C43 | H432 | H433 | 120.0° | 120.0° |
| H441 | C44 | H442 | H443 | 120.0° | 119.9° |
| O46 | C45 | N47 | N24 | 24.9° | 172.4° |
| O46 | C45 | N47 | H47 | 155.1° | 7.7° |
| C45 | N47 | N24 | H47 | 180.0° | 179.9° |
| H861 | C86 | H862 | H863 | 120.0° | 120.0° |
