9AB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAI | CCH | doub | 1.21Å | 1.23Å | |
| CCH | CBJ | sing | 1.51Å | 1.54Å | |
| CBJ | CBG | sing | 1.53Å | 1.54Å | |
| CBG | CBE | sing | 1.53Å | 1.55Å | |
| CBE | CBD | sing | 1.53Å | 1.54Å | |
| CBD | CBF | sing | 1.53Å | 1.56Å | |
| CBF | CBI | sing | 1.53Å | 1.54Å | |
| CBI | CBL | sing | 1.53Å | 1.56Å | |
| CBL | NDB | sing | 1.46Å | 1.52Å | |
| CBA | NDB | sing | 1.36Å | 1.33Å | Aromatic |
| CBA | NBS | doub | 1.30Å | 1.33Å | Aromatic |
| NDB | CCT | sing | 1.38Å | 1.36Å | Aromatic |
| NBS | CCS | sing | 1.36Å | 1.33Å | Aromatic |
| CCT | CCS | doub | 1.40Å | 1.35Å | Aromatic |
| CCT | CCR | sing | 1.39Å | 1.36Å | Aromatic |
| BR4 | CCR | sing | 1.89Å | 1.92Å | |
| CCS | CCQ | sing | 1.40Å | 1.34Å | Aromatic |
| CCR | CCP | doub | 1.38Å | 1.40Å | Aromatic |
| CCQ | BR1 | sing | 1.89Å | 1.88Å | |
| CCQ | CCO | doub | 1.38Å | 1.38Å | Aromatic |
| CCP | CCO | sing | 1.39Å | 1.38Å | Aromatic |
| CCP | BR3 | sing | 1.89Å | 1.91Å | |
| CCO | BR2 | sing | 1.89Å | 1.92Å | |
| 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 | OXT | sing | 1.34Å | 70.70Å | |
| OXT | H16 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAI | CCH | CBJ | 123.3° | 120.0° |
| OAI | CCH | OXT | 63.6° | 120.0° |
| CCH | CBJ | CBG | 118.8° | 109.4° |
| CCH | CBJ | H12 | 107.1° | 109.4° |
| CCH | CBJ | H13 | 107.1° | 109.4° |
| CBJ | CCH | OXT | 152.7° | 120.0° |
| CBJ | CBG | CBE | 102.9° | 109.4° |
| CBJ | CBG | H8 | 111.1° | 109.5° |
| CBJ | CBG | H9 | 111.1° | 109.4° |
| CBG | CBJ | H12 | 107.1° | 109.5° |
| CBG | CBJ | H13 | 107.1° | 109.5° |
| CBG | CBE | CBD | 118.8° | 109.5° |
| CBG | CBE | H4 | 107.1° | 109.5° |
| CBG | CBE | H5 | 107.1° | 109.5° |
| CBE | CBG | H8 | 111.1° | 109.5° |
| CBE | CBG | H9 | 111.1° | 109.5° |
| CBE | CBD | CBF | 105.9° | 109.5° |
| CBE | CBD | H2 | 110.4° | 109.4° |
| CBE | CBD | H3 | 110.3° | 109.5° |
| CBD | CBE | H4 | 107.1° | 109.5° |
| CBD | CBE | H5 | 107.1° | 109.4° |
| CBD | CBF | CBI | 113.6° | 109.5° |
| CBF | CBD | H2 | 110.4° | 109.5° |
| CBF | CBD | H3 | 110.4° | 109.5° |
| CBD | CBF | H6 | 108.4° | 109.4° |
| CBD | CBF | H7 | 108.4° | 109.5° |
| CBF | CBI | CBL | 115.5° | 109.5° |
| CBI | CBF | H6 | 108.4° | 109.5° |
| CBI | CBF | H7 | 108.4° | 109.5° |
| CBF | CBI | H10 | 107.9° | 109.5° |
| CBF | CBI | H11 | 108.0° | 109.5° |
| CBI | CBL | NDB | 118.0° | 109.5° |
| CBL | CBI | H10 | 108.0° | 109.5° |
| CBL | CBI | H11 | 108.0° | 109.4° |
| CBI | CBL | H14 | 107.3° | 109.5° |
| CBI | CBL | H15 | 107.3° | 109.4° |
| CBL | NDB | CBA | 123.5° | 126.3° |
| CBL | NDB | CCT | 128.5° | 126.4° |
| NDB | CBL | H14 | 107.3° | 109.4° |
| NDB | CBL | H15 | 107.3° | 109.5° |
| NDB | CBA | NBS | 108.6° | 110.1° |
| CBA | NDB | CCT | 107.7° | 107.3° |
| NDB | CBA | H1 | 125.7° | 125.0° |
| CBA | NBS | CCS | 108.4° | 109.6° |
| NBS | CBA | H1 | 125.7° | 124.9° |
| NDB | CCT | CCS | 106.9° | 106.1° |
| NDB | CCT | CCR | 134.2° | 134.0° |
| NBS | CCS | CCT | 108.3° | 107.0° |
| NBS | CCS | CCQ | 129.6° | 133.5° |
| CCS | CCT | CCR | 118.9° | 120.0° |
| CCT | CCS | CCQ | 122.1° | 119.5° |
| CCT | CCR | BR4 | 122.4° | 120.1° |
| CCT | CCR | CCP | 120.7° | 119.8° |
| BR4 | CCR | CCP | 116.9° | 120.1° |
| CCS | CCQ | BR1 | 122.0° | 120.1° |
| CCS | CCQ | CCO | 121.3° | 119.8° |
| CCR | CCP | CCO | 119.0° | 120.5° |
| CCR | CCP | BR3 | 121.6° | 119.8° |
| BR1 | CCQ | CCO | 116.7° | 120.1° |
| CCQ | CCO | CCP | 118.0° | 120.5° |
| CCQ | CCO | BR2 | 118.2° | 119.8° |
| CCO | CCP | BR3 | 119.4° | 119.8° |
| CCP | CCO | BR2 | 123.8° | 119.7° |
| H2 | CBD | H3 | 109.5° | 109.5° |
| H4 | CBE | H5 | 109.4° | 109.5° |
| H6 | CBF | H7 | 109.5° | 109.5° |
| H8 | CBG | H9 | 109.5° | 109.5° |
| H10 | CBI | H11 | 109.4° | 109.5° |
| H12 | CBJ | H13 | 109.5° | 109.5° |
| H14 | CBL | H15 | 109.5° | 109.5° |
| CCH | OXT | H16 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAI | CCH | CBJ | OXT | 96.4° | 180.0° |
| OAI | CCH | CBJ | CBG | 0.9° | 0.1° |
| OAI | CCH | CBJ | H12 | 120.4° | 119.9° |
| OAI | CCH | CBJ | H13 | 122.3° | 120.0° |
| OAI | CCH | OXT | H16 | 90.0° | 0.0° |
| CCH | CBJ | CBG | H12 | 121.3° | 120.0° |
| CCH | CBJ | CBG | H13 | 121.3° | 120.0° |
| CCH | CBJ | CBG | CBE | 170.5° | 180.0° |
| CCH | CBJ | CBG | H8 | 70.5° | 59.9° |
| CCH | CBJ | CBG | H9 | 51.6° | 60.0° |
| CCH | CBJ | H12 | H13 | 115.8° | 120.0° |
| CBJ | CCH | OXT | H16 | 90.0° | 180.0° |
| CBJ | CBG | CBE | H8 | 118.9° | 120.0° |
| CBJ | CBG | CBE | H9 | 118.9° | 119.9° |
| CBJ | CBG | CBE | CBD | 177.2° | 180.0° |
| CBJ | CBG | CBE | H4 | 61.5° | 60.0° |
| CBJ | CBG | CBE | H5 | 55.9° | 60.1° |
| CBJ | CBG | H8 | H9 | 123.0° | 120.0° |
| CBG | CBJ | H12 | H13 | 115.8° | 120.1° |
| CBG | CBJ | CCH | OXT | 95.4° | 180.0° |
| CBG | CBE | CBD | H4 | 121.3° | 120.0° |
| CBG | CBE | CBD | H5 | 121.3° | 120.0° |
| CBG | CBE | CBD | CBF | 174.8° | 180.0° |
| CBG | CBE | CBD | H2 | 65.7° | 60.0° |
| CBG | CBE | CBD | H3 | 55.4° | 59.9° |
| CBG | CBE | H4 | H5 | 115.8° | 120.0° |
| CBE | CBG | H8 | H9 | 123.0° | 120.0° |
| CBE | CBG | CBJ | H12 | 49.2° | 60.0° |
| CBE | CBG | CBJ | H13 | 68.2° | 60.1° |
| CBE | CBD | CBF | H2 | 119.5° | 119.9° |
| CBE | CBD | CBF | H3 | 119.4° | 120.1° |
| CBE | CBD | CBF | CBI | 173.2° | 180.0° |
| CBE | CBD | H2 | H3 | 121.6° | 120.0° |
| CBD | CBE | H4 | H5 | 115.8° | 120.0° |
| CBE | CBD | CBF | H6 | 66.2° | 60.0° |
| CBE | CBD | CBF | H7 | 52.5° | 60.0° |
| CBD | CBE | CBG | H8 | 58.3° | 60.0° |
| CBD | CBE | CBG | H9 | 63.9° | 60.1° |
| CBD | CBF | CBI | H6 | 120.6° | 120.0° |
| CBD | CBF | CBI | H7 | 120.6° | 120.0° |
| CBD | CBF | CBI | CBL | 177.2° | 180.0° |
| CBF | CBD | H2 | H3 | 121.7° | 120.0° |
| CBF | CBD | CBE | H4 | 53.5° | 60.0° |
| CBF | CBD | CBE | H5 | 63.8° | 60.0° |
| CBD | CBF | H6 | H7 | 118.1° | 120.0° |
| CBD | CBF | CBI | H10 | 61.9° | 60.0° |
| CBD | CBF | CBI | H11 | 56.3° | 60.0° |
| CBF | CBI | CBL | H10 | 120.9° | 120.1° |
| CBF | CBI | CBL | H11 | 120.9° | 120.0° |
| CBF | CBI | CBL | NDB | 70.1° | 180.0° |
| CBI | CBF | CBD | H2 | 53.7° | 60.0° |
| CBI | CBF | CBD | H3 | 67.4° | 60.0° |
| CBI | CBF | H6 | H7 | 118.1° | 120.0° |
| CBF | CBI | H10 | H11 | 117.2° | 120.0° |
| CBF | CBI | CBL | H14 | 51.2° | 60.0° |
| CBF | CBI | CBL | H15 | 168.7° | 60.0° |
| CBI | CBL | NDB | H14 | 121.2° | 120.1° |
| CBI | CBL | NDB | H15 | 121.2° | 120.0° |
| CBI | CBL | NDB | CBA | 11.8° | 95.0° |
| CBI | CBL | NDB | CCT | 161.6° | 85.0° |
| CBL | CBI | CBF | H6 | 56.6° | 60.0° |
| CBL | CBI | CBF | H7 | 62.2° | 60.0° |
| CBL | CBI | H10 | H11 | 117.2° | 120.0° |
| CBI | CBL | H14 | H15 | 116.1° | 120.0° |
| CBL | NDB | CBA | CCT | 174.6° | 180.0° |
| CBL | NDB | CBA | NBS | 176.7° | 180.0° |
| CBL | NDB | CCT | CCS | 176.2° | 180.0° |
| CBL | NDB | CCT | CCR | 5.3° | 0.0° |
| CBL | NDB | CBA | H1 | 3.3° | 0.3° |
| NDB | CBL | CBI | H10 | 169.0° | 60.0° |
| NDB | CBL | CBI | H11 | 50.9° | 60.0° |
| NDB | CBL | H14 | H15 | 116.1° | 120.0° |
| NDB | CBA | NBS | H1 | 180.0° | 179.6° |
| NDB | CBA | NBS | CCS | 1.4° | 0.1° |
| CBA | NDB | CCT | CCS | 2.0° | 0.0° |
| CBA | NDB | CCT | CCR | 179.5° | 180.0° |
| CBA | NDB | CBL | H14 | 109.4° | 144.9° |
| CBA | NDB | CBL | H15 | 133.0° | 25.0° |
| NBS | CBA | NDB | CCT | 2.1° | 0.1° |
| CBA | NBS | CCS | CCT | 0.1° | 0.0° |
| CBA | NBS | CCS | CCQ | 179.9° | 180.0° |
| NDB | CCT | CCS | NBS | 1.2° | 0.0° |
| NDB | CCT | CCS | CCR | 178.7° | 180.0° |
| NDB | CCT | CCR | BR4 | 2.0° | 0.0° |
| NDB | CCT | CCS | CCQ | 178.6° | 180.0° |
| NDB | CCT | CCR | CCP | 178.2° | 180.0° |
| CCT | NDB | CBA | H1 | 177.9° | 179.7° |
| CCT | NDB | CBL | H14 | 77.2° | 35.1° |
| CCT | NDB | CBL | H15 | 40.3° | 155.0° |
| NBS | CCS | CCT | CCQ | 179.8° | 180.0° |
| NBS | CCS | CCT | CCR | 179.9° | 180.0° |
| NBS | CCS | CCQ | BR1 | 0.4° | 0.0° |
| NBS | CCS | CCQ | CCO | 179.8° | 180.0° |
| CCS | NBS | CBA | H1 | 178.6° | 179.7° |
| CCS | CCT | CCR | BR4 | 179.8° | 179.9° |
| CCS | CCT | CCR | CCP | 0.1° | 0.0° |
| CCT | CCS | CCQ | BR1 | 179.9° | 180.0° |
| CCT | CCS | CCQ | CCO | 0.1° | 0.0° |
| CCT | CCR | BR4 | CCP | 179.8° | 180.0° |
| CCR | CCT | CCS | CCQ | 0.1° | 0.0° |
| CCT | CCR | CCP | CCO | 0.0° | 0.0° |
| CCT | CCR | CCP | BR3 | 179.6° | 180.0° |
| BR4 | CCR | CCP | CCO | 179.8° | 179.9° |
| BR4 | CCR | CCP | BR3 | 0.5° | 0.0° |
| CCS | CCQ | BR1 | CCO | 179.8° | 180.0° |
| CCS | CCQ | CCO | CCP | 0.0° | 0.0° |
| CCS | CCQ | CCO | BR2 | 179.0° | 180.0° |
| CCR | CCP | CCO | CCQ | 0.0° | 0.0° |
| CCR | CCP | CCO | BR3 | 179.7° | 180.0° |
| CCR | CCP | CCO | BR2 | 179.0° | 180.0° |
| BR1 | CCQ | CCO | CCP | 179.8° | 180.0° |
| BR1 | CCQ | CCO | BR2 | 0.8° | 0.0° |
| CCQ | CCO | CCP | BR2 | 179.0° | 180.0° |
| CCQ | CCO | CCP | BR3 | 179.7° | 180.0° |
| BR3 | CCP | CCO | BR2 | 1.3° | 0.0° |
| H2 | CBD | CBE | H4 | 172.9° | 60.0° |
| H2 | CBD | CBE | H5 | 55.6° | 180.0° |
| H2 | CBD | CBF | H6 | 174.3° | 180.0° |
| H2 | CBD | CBF | H7 | 66.9° | 60.0° |
| H3 | CBD | CBE | H4 | 66.0° | 180.0° |
| H3 | CBD | CBE | H5 | 176.7° | 60.0° |
| H3 | CBD | CBF | H6 | 53.2° | 60.1° |
| H3 | CBD | CBF | H7 | 172.0° | 180.0° |
| H4 | CBE | CBG | H8 | 179.6° | 180.0° |
| H4 | CBE | CBG | H9 | 57.5° | 60.0° |
| H5 | CBE | CBG | H8 | 63.1° | 60.0° |
| H5 | CBE | CBG | H9 | 174.8° | 180.0° |
| H6 | CBF | CBI | H10 | 177.5° | 180.0° |
| H6 | CBF | CBI | H11 | 64.3° | 60.0° |
| H7 | CBF | CBI | H10 | 58.7° | 60.0° |
| H7 | CBF | CBI | H11 | 176.9° | 180.0° |
| H8 | CBG | CBJ | H12 | 168.2° | 179.9° |
| H8 | CBG | CBJ | H13 | 50.8° | 60.0° |
| H9 | CBG | CBJ | H12 | 69.7° | 59.9° |
| H9 | CBG | CBJ | H13 | 172.9° | 180.0° |
| H10 | CBI | CBL | H14 | 69.7° | 180.0° |
| H10 | CBI | CBL | H15 | 47.8° | 60.0° |
| H11 | CBI | CBL | H14 | 172.1° | 60.0° |
| H11 | CBI | CBL | H15 | 70.3° | 180.0° |
| H12 | CBJ | CCH | OXT | 143.2° | 60.0° |
| H13 | CBJ | CCH | OXT | 25.9° | 60.0° |
