A0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| IAW | CCO | sing | 2.10Å | 2.09Å | |
| IAX | CCP | sing | 2.10Å | 2.10Å | |
| CCO | CCP | doub | 1.39Å | 1.38Å | Aromatic |
| CCO | CCQ | sing | 1.38Å | 1.39Å | Aromatic |
| IAY | CCQ | sing | 2.10Å | 2.07Å | |
| CCP | CCR | sing | 1.38Å | 1.40Å | Aromatic |
| CCQ | CCS | doub | 1.40Å | 1.33Å | Aromatic |
| CCR | IAZ | sing | 2.09Å | 2.11Å | |
| CCR | CCT | doub | 1.39Å | 1.35Å | Aromatic |
| CCS | CCT | sing | 1.41Å | 1.34Å | Aromatic |
| CCS | NBS | sing | 1.36Å | 1.33Å | Aromatic |
| CCT | NDB | sing | 1.38Å | 1.36Å | Aromatic |
| NBS | CBA | doub | 1.30Å | 1.32Å | Aromatic |
| NDB | CBA | sing | 1.36Å | 1.33Å | Aromatic |
| NDB | CBL | sing | 1.46Å | 1.52Å | |
| CBL | CBI | sing | 1.53Å | 1.57Å | |
| CBF | CBI | sing | 1.53Å | 1.57Å | |
| CBF | CBD | sing | 1.53Å | 1.54Å | |
| OAI | CCH | doub | 1.21Å | 1.23Å | |
| CBE | CBD | sing | 1.53Å | 1.56Å | |
| CBE | CBG | sing | 1.53Å | 1.56Å | |
| CCH | CBJ | sing | 1.51Å | 1.56Å | |
| CBJ | CBG | sing | 1.53Å | 1.56Å | |
| CBA | H1 | sing | 1.08Å | 1.08Å | |
| CBD | H2 | sing | 1.09Å | 1.10Å | |
| CBD | H3 | sing | 1.09Å | 1.10Å | |
| CBE | H4 | sing | 1.09Å | 1.10Å | |
| CBE | H5 | sing | 1.09Å | 1.10Å | |
| CBF | H6 | sing | 1.09Å | 1.10Å | |
| CBF | H7 | sing | 1.09Å | 1.10Å | |
| CBG | H8 | sing | 1.09Å | 1.10Å | |
| CBG | H9 | sing | 1.09Å | 1.10Å | |
| CBI | H10 | sing | 1.09Å | 1.10Å | |
| CBI | H11 | sing | 1.09Å | 1.10Å | |
| CBJ | H12 | sing | 1.09Å | 1.10Å | |
| CBJ | H13 | sing | 1.09Å | 1.10Å | |
| CBL | H14 | sing | 1.09Å | 1.10Å | |
| CBL | H15 | sing | 1.09Å | 1.10Å | |
| CCH | O1 | sing | 1.34Å | 1.37Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| IAW | CCO | CCP | 121.7° | 119.8° |
| IAW | CCO | CCQ | 121.3° | 119.7° |
| IAX | CCP | CCO | 120.3° | 119.8° |
| IAX | CCP | CCR | 120.8° | 119.8° |
| CCP | CCO | CCQ | 117.0° | 120.5° |
| CCO | CCP | CCR | 118.8° | 120.4° |
| CCO | CCQ | IAY | 118.3° | 120.1° |
| CCO | CCQ | CCS | 122.5° | 119.8° |
| IAY | CCQ | CCS | 119.1° | 120.1° |
| CCP | CCR | IAZ | 115.6° | 120.1° |
| CCP | CCR | CCT | 121.7° | 119.9° |
| CCQ | CCS | CCT | 121.3° | 119.5° |
| CCQ | CCS | NBS | 130.5° | 133.5° |
| IAZ | CCR | CCT | 122.7° | 120.1° |
| CCR | CCT | CCS | 118.7° | 119.9° |
| CCR | CCT | NDB | 134.6° | 134.1° |
| CCT | CCS | NBS | 108.2° | 107.0° |
| CCS | CCT | NDB | 106.7° | 106.0° |
| CCS | NBS | CBA | 108.7° | 109.6° |
| CCT | NDB | CBA | 108.3° | 107.3° |
| CCT | NDB | CBL | 128.5° | 126.3° |
| NBS | CBA | NDB | 108.1° | 110.1° |
| NBS | CBA | H1 | 126.0° | 124.9° |
| CBA | NDB | CBL | 123.1° | 126.3° |
| NDB | CBA | H1 | 126.0° | 125.0° |
| NDB | CBL | CBI | 120.0° | 109.5° |
| NDB | CBL | H14 | 106.8° | 109.5° |
| NDB | CBL | H15 | 106.8° | 109.5° |
| CBL | CBI | CBF | 118.5° | 109.5° |
| CBL | CBI | H10 | 107.2° | 109.4° |
| CBL | CBI | H11 | 107.2° | 109.4° |
| CBI | CBL | H14 | 106.8° | 109.5° |
| CBI | CBL | H15 | 106.8° | 109.4° |
| CBI | CBF | CBD | 107.9° | 109.5° |
| CBI | CBF | H6 | 109.9° | 109.5° |
| CBI | CBF | H7 | 109.9° | 109.5° |
| CBF | CBI | H10 | 107.2° | 109.5° |
| CBF | CBI | H11 | 107.2° | 109.5° |
| CBF | CBD | CBE | 112.0° | 109.5° |
| CBF | CBD | H2 | 108.8° | 109.4° |
| CBF | CBD | H3 | 108.8° | 109.4° |
| CBD | CBF | H6 | 109.9° | 109.5° |
| CBD | CBF | H7 | 109.9° | 109.4° |
| OAI | CCH | CBJ | 121.4° | 120.0° |
| OAI | CCH | O1 | 125.1° | 120.0° |
| CBD | CBE | CBG | 107.6° | 109.5° |
| CBE | CBD | H2 | 108.8° | 109.5° |
| CBE | CBD | H3 | 108.9° | 109.5° |
| CBD | CBE | H4 | 109.9° | 109.5° |
| CBD | CBE | H5 | 109.9° | 109.4° |
| CBE | CBG | CBJ | 118.5° | 109.5° |
| CBG | CBE | H4 | 109.9° | 109.5° |
| CBG | CBE | H5 | 110.0° | 109.5° |
| CBE | CBG | H8 | 107.2° | 109.4° |
| CBE | CBG | H9 | 107.2° | 109.4° |
| CCH | CBJ | CBG | 119.3° | 109.5° |
| CCH | CBJ | H12 | 107.0° | 109.5° |
| CCH | CBJ | H13 | 107.0° | 109.5° |
| CBJ | CCH | O1 | 113.5° | 120.0° |
| CBJ | CBG | H8 | 107.2° | 109.5° |
| CBJ | CBG | H9 | 107.2° | 109.5° |
| CBG | CBJ | H12 | 106.9° | 109.5° |
| CBG | CBJ | H13 | 107.0° | 109.5° |
| H2 | CBD | H3 | 109.5° | 109.5° |
| H4 | CBE | H5 | 109.5° | 109.5° |
| H6 | CBF | H7 | 109.5° | 109.4° |
| H8 | CBG | H9 | 109.4° | 109.5° |
| H10 | CBI | H11 | 109.5° | 109.5° |
| H12 | CBJ | H13 | 109.5° | 109.5° |
| H14 | CBL | H15 | 109.5° | 109.5° |
| CCH | O1 | H16 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| IAW | CCO | CCP | IAX | 1.4° | 0.2° |
| IAW | CCO | CCP | CCQ | 179.3° | 179.9° |
| IAW | CCO | CCQ | IAY | 5.0° | 0.0° |
| IAW | CCO | CCP | CCR | 178.5° | 180.0° |
| IAW | CCO | CCQ | CCS | 178.5° | 179.9° |
| IAX | CCP | CCO | CCR | 179.9° | 179.9° |
| IAX | CCP | CCO | CCQ | 179.3° | 180.0° |
| IAX | CCP | CCR | IAZ | 0.9° | 0.1° |
| IAX | CCP | CCR | CCT | 179.6° | 180.0° |
| CCP | CCO | CCQ | IAY | 175.7° | 179.9° |
| CCP | CCO | CCQ | CCS | 0.8° | 0.0° |
| CCO | CCP | CCR | IAZ | 179.2° | 180.0° |
| CCO | CCP | CCR | CCT | 0.4° | 0.1° |
| CCO | CCQ | IAY | CCS | 176.6° | 179.9° |
| CCQ | CCO | CCP | CCR | 0.8° | 0.1° |
| CCO | CCQ | CCS | CCT | 0.4° | 0.1° |
| CCO | CCQ | CCS | NBS | 179.4° | 179.9° |
| IAY | CCQ | CCS | CCT | 176.1° | 180.0° |
| IAY | CCQ | CCS | NBS | 4.2° | 0.1° |
| CCP | CCR | IAZ | CCT | 178.7° | 179.9° |
| CCP | CCR | CCT | CCS | 0.0° | 0.0° |
| CCP | CCR | CCT | NDB | 178.7° | 180.0° |
| CCQ | CCS | CCT | CCR | 0.0° | 0.1° |
| CCQ | CCS | CCT | NBS | 179.8° | 179.9° |
| CCQ | CCS | CCT | NDB | 179.0° | 180.0° |
| CCQ | CCS | NBS | CBA | 179.8° | 179.8° |
| IAZ | CCR | CCT | CCS | 178.7° | 179.9° |
| IAZ | CCR | CCT | NDB | 2.7° | 0.0° |
| CCR | CCT | CCS | NDB | 179.0° | 180.0° |
| CCR | CCT | CCS | NBS | 179.8° | 180.0° |
| CCR | CCT | NDB | CBA | 179.9° | 179.8° |
| CCR | CCT | NDB | CBL | 2.5° | 0.1° |
| CCT | CCS | NBS | CBA | 0.0° | 0.1° |
| CCS | CCT | NDB | CBA | 1.3° | 0.2° |
| CCS | CCT | NDB | CBL | 178.7° | 180.0° |
| NBS | CCS | CCT | NDB | 0.8° | 0.0° |
| CCS | NBS | CBA | NDB | 0.8° | 0.3° |
| CCS | NBS | CBA | H1 | 179.2° | 180.0° |
| CCT | NDB | CBA | NBS | 1.3° | 0.3° |
| CCT | NDB | CBA | CBL | 177.6° | 179.8° |
| CCT | NDB | CBL | CBI | 172.4° | 85.0° |
| CCT | NDB | CBA | H1 | 178.7° | 180.0° |
| CCT | NDB | CBL | H14 | 50.9° | 35.0° |
| CCT | NDB | CBL | H15 | 66.1° | 155.0° |
| NBS | CBA | NDB | H1 | 180.0° | 179.7° |
| NBS | CBA | NDB | CBL | 178.9° | 179.9° |
| CBA | NDB | CBL | CBI | 4.6° | 95.2° |
| CBA | NDB | CBL | H14 | 126.1° | 144.8° |
| CBA | NDB | CBL | H15 | 116.8° | 24.8° |
| NDB | CBL | CBI | H14 | 121.5° | 120.0° |
| NDB | CBL | CBI | H15 | 121.5° | 120.0° |
| NDB | CBL | CBI | CBF | 62.4° | 180.0° |
| CBL | NDB | CBA | H1 | 1.1° | 0.2° |
| NDB | CBL | CBI | H10 | 58.9° | 60.0° |
| NDB | CBL | CBI | H11 | 176.3° | 60.0° |
| NDB | CBL | H14 | H15 | 115.2° | 120.0° |
| CBL | CBI | CBF | H10 | 121.3° | 120.0° |
| CBL | CBI | CBF | H11 | 121.3° | 120.0° |
| CBL | CBI | CBF | CBD | 176.4° | 180.0° |
| CBL | CBI | CBF | H6 | 56.6° | 60.0° |
| CBL | CBI | CBF | H7 | 63.9° | 60.0° |
| CBL | CBI | H10 | H11 | 115.9° | 119.9° |
| CBI | CBL | H14 | H15 | 115.3° | 119.9° |
| CBI | CBF | CBD | H6 | 119.8° | 120.1° |
| CBI | CBF | CBD | H7 | 119.7° | 120.0° |
| CBI | CBF | CBD | CBE | 178.6° | 180.0° |
| CBI | CBF | CBD | H2 | 61.1° | 60.0° |
| CBI | CBF | CBD | H3 | 58.2° | 60.0° |
| CBI | CBF | H6 | H7 | 120.7° | 120.0° |
| CBF | CBI | H10 | H11 | 115.9° | 120.1° |
| CBF | CBI | CBL | H14 | 176.2° | 60.0° |
| CBF | CBI | CBL | H15 | 59.1° | 60.0° |
| CBF | CBD | CBE | H2 | 120.4° | 119.9° |
| CBF | CBD | CBE | H3 | 120.4° | 120.0° |
| CBF | CBD | CBE | CBG | 178.7° | 180.0° |
| CBF | CBD | H2 | H3 | 118.8° | 119.9° |
| CBF | CBD | CBE | H4 | 59.0° | 60.0° |
| CBF | CBD | CBE | H5 | 61.6° | 60.0° |
| CBD | CBF | H6 | H7 | 120.8° | 119.9° |
| CBD | CBF | CBI | H10 | 62.4° | 60.0° |
| CBD | CBF | CBI | H11 | 55.1° | 60.0° |
| OAI | CCH | CBJ | O1 | 177.8° | 179.9° |
| OAI | CCH | CBJ | CBG | 38.2° | 0.0° |
| OAI | CCH | CBJ | H12 | 159.6° | 120.0° |
| OAI | CCH | CBJ | H13 | 83.2° | 120.0° |
| OAI | CCH | O1 | H16 | 0.0° | 0.1° |
| CBD | CBE | CBG | H4 | 119.7° | 120.0° |
| CBD | CBE | CBG | H5 | 119.7° | 120.0° |
| CBD | CBE | CBG | CBJ | 178.4° | 180.0° |
| CBE | CBD | H2 | H3 | 118.9° | 120.1° |
| CBD | CBE | H4 | H5 | 120.9° | 120.0° |
| CBE | CBD | CBF | H6 | 58.8° | 60.0° |
| CBE | CBD | CBF | H7 | 61.7° | 59.9° |
| CBD | CBE | CBG | H8 | 57.1° | 60.0° |
| CBD | CBE | CBG | H9 | 60.3° | 60.0° |
| CBE | CBG | CBJ | CCH | 62.4° | 180.0° |
| CBE | CBG | CBJ | H8 | 121.3° | 120.0° |
| CBE | CBG | CBJ | H9 | 121.3° | 120.0° |
| CBG | CBE | CBD | H2 | 60.9° | 60.1° |
| CBG | CBE | CBD | H3 | 58.3° | 60.0° |
| CBG | CBE | H4 | H5 | 120.9° | 120.0° |
| CBE | CBG | H8 | H9 | 115.9° | 119.9° |
| CBE | CBG | CBJ | H12 | 176.2° | 60.0° |
| CBE | CBG | CBJ | H13 | 59.0° | 60.0° |
| CCH | CBJ | CBG | H12 | 121.4° | 120.0° |
| CCH | CBJ | CBG | H13 | 121.4° | 120.0° |
| CCH | CBJ | CBG | H8 | 176.3° | 60.0° |
| CCH | CBJ | CBG | H9 | 58.9° | 60.0° |
| CCH | CBJ | H12 | H13 | 115.6° | 120.0° |
| CBJ | CCH | O1 | H16 | 177.7° | 180.0° |
| CBJ | CBG | CBE | H4 | 61.9° | 60.0° |
| CBJ | CBG | CBE | H5 | 58.7° | 60.0° |
| CBJ | CBG | H8 | H9 | 115.9° | 120.1° |
| CBG | CBJ | H12 | H13 | 115.5° | 120.0° |
| CBG | CBJ | CCH | O1 | 144.0° | 180.0° |
| H2 | CBD | CBE | H4 | 179.4° | 60.0° |
| H2 | CBD | CBE | H5 | 58.8° | 179.9° |
| H2 | CBD | CBF | H6 | 179.2° | 180.0° |
| H2 | CBD | CBF | H7 | 58.7° | 60.0° |
| H3 | CBD | CBE | H4 | 61.4° | 180.0° |
| H3 | CBD | CBE | H5 | 178.0° | 60.0° |
| H3 | CBD | CBF | H6 | 61.6° | 60.1° |
| H3 | CBD | CBF | H7 | 177.9° | 180.0° |
| H4 | CBE | CBG | H8 | 176.8° | 180.0° |
| H4 | CBE | CBG | H9 | 59.4° | 60.0° |
| H5 | CBE | CBG | H8 | 62.6° | 60.0° |
| H5 | CBE | CBG | H9 | 180.0° | 180.0° |
| H6 | CBF | CBI | H10 | 177.9° | 180.0° |
| H6 | CBF | CBI | H11 | 64.7° | 60.0° |
| H7 | CBF | CBI | H10 | 57.4° | 60.0° |
| H7 | CBF | CBI | H11 | 174.8° | 180.0° |
| H8 | CBG | CBJ | H12 | 54.9° | 179.9° |
| H8 | CBG | CBJ | H13 | 62.3° | 60.0° |
| H9 | CBG | CBJ | H12 | 62.5° | 60.0° |
| H9 | CBG | CBJ | H13 | 179.7° | 180.0° |
| H10 | CBI | CBL | H14 | 62.6° | 180.0° |
| H10 | CBI | CBL | H15 | 179.6° | 60.1° |
| H11 | CBI | CBL | H14 | 54.8° | 60.0° |
| H11 | CBI | CBL | H15 | 62.2° | 180.0° |
| H12 | CBJ | CCH | O1 | 22.6° | 60.0° |
| H13 | CBJ | CCH | O1 | 94.6° | 60.0° |
