4OB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAQ | sing | 1.40Å | 1.38Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | NAO | sing | 1.37Å | 1.31Å | |
| CAQ | CAJ | doub | 1.40Å | 1.38Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| NAO | CAP | doub | 1.31Å | 1.33Å | |
| CAP | NAN | sing | 1.38Å | 1.32Å | |
| CAP | CAR | sing | 1.48Å | 1.39Å | |
| OAA | NAN | sing | 1.42Å | 1.47Å | |
| FAC | CAT | sing | 1.40Å | 1.31Å | |
| CAM | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.51Å | 1.37Å | |
| CAT | FAB | sing | 1.40Å | 1.31Å | |
| CAT | FAD | sing | 1.40Å | 1.30Å | |
| CAS | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| NAN | H5 | sing | 0.97Å | 1.00Å | |
| OAA | H6 | sing | 0.97Å | 0.95Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAF | CAE | 119.5° | 120.2° |
| CAF | CAI | CAQ | 120.2° | 119.8° |
| CAF | CAI | H7 | 119.9° | 120.1° |
| CAI | CAF | H8 | 120.2° | 120.0° |
| CAF | CAE | CAG | 120.2° | 120.3° |
| CAE | CAF | H8 | 120.3° | 119.8° |
| CAF | CAE | H9 | 119.9° | 119.9° |
| CAI | CAQ | NAO | 118.1° | 120.1° |
| CAI | CAQ | CAJ | 120.5° | 119.7° |
| CAQ | CAI | H7 | 119.9° | 120.1° |
| CAE | CAG | CAJ | 120.3° | 120.1° |
| CAG | CAE | H9 | 119.9° | 119.9° |
| CAE | CAG | H10 | 119.9° | 120.0° |
| NAO | CAQ | CAJ | 121.2° | 120.2° |
| CAQ | NAO | CAP | 125.5° | 120.1° |
| CAQ | CAJ | CAG | 119.3° | 119.8° |
| CAQ | CAJ | H11 | 120.4° | 120.1° |
| CAJ | CAG | H10 | 119.8° | 119.9° |
| CAG | CAJ | H11 | 120.4° | 120.0° |
| NAO | CAP | NAN | 117.9° | 120.0° |
| NAO | CAP | CAR | 124.9° | 120.0° |
| NAN | CAP | CAR | 117.0° | 120.0° |
| CAP | NAN | OAA | 113.3° | 120.0° |
| CAP | NAN | H5 | 123.4° | 120.0° |
| CAP | CAR | CAM | 123.6° | 120.1° |
| CAP | CAR | CAK | 116.7° | 120.2° |
| OAA | NAN | H5 | 123.4° | 120.0° |
| NAN | OAA | H6 | 109.5° | 114.0° |
| FAC | CAT | CAS | 113.2° | 109.5° |
| FAC | CAT | FAB | 109.9° | 109.5° |
| FAC | CAT | FAD | 108.7° | 109.5° |
| CAR | CAM | CAS | 119.1° | 119.9° |
| CAM | CAR | CAK | 119.7° | 119.7° |
| CAR | CAM | H1 | 120.4° | 120.1° |
| CAM | CAS | CAT | 123.9° | 120.0° |
| CAM | CAS | CAL | 120.6° | 120.1° |
| CAS | CAM | H1 | 120.4° | 120.0° |
| CAR | CAK | CAH | 120.8° | 119.9° |
| CAR | CAK | H4 | 119.6° | 120.1° |
| CAS | CAT | FAB | 108.7° | 109.5° |
| CAS | CAT | FAD | 108.9° | 109.4° |
| CAT | CAS | CAL | 115.6° | 119.9° |
| FAB | CAT | FAD | 107.2° | 109.4° |
| CAS | CAL | CAH | 120.3° | 120.3° |
| CAS | CAL | H2 | 119.8° | 119.8° |
| CAK | CAH | CAL | 119.5° | 120.2° |
| CAK | CAH | H3 | 120.3° | 120.0° |
| CAH | CAK | H4 | 119.6° | 120.0° |
| CAH | CAL | H2 | 119.9° | 119.9° |
| CAL | CAH | H3 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAF | CAE | H8 | 180.0° | 179.9° |
| CAF | CAI | CAQ | H7 | 180.0° | 180.0° |
| CAI | CAF | CAE | CAG | 0.1° | 0.0° |
| CAF | CAI | CAQ | NAO | 177.1° | 179.9° |
| CAF | CAI | CAQ | CAJ | 2.5° | 0.3° |
| CAI | CAF | CAE | H9 | 179.9° | 179.9° |
| CAE | CAF | CAI | CAQ | 1.2° | 0.0° |
| CAF | CAE | CAG | H9 | 180.0° | 179.9° |
| CAF | CAE | CAG | CAJ | 0.0° | 0.3° |
| CAE | CAF | CAI | H7 | 178.9° | 180.0° |
| CAF | CAE | CAG | H10 | 180.0° | 180.0° |
| CAI | CAQ | NAO | CAJ | 174.5° | 179.7° |
| CAI | CAQ | CAJ | CAG | 2.6° | 0.6° |
| CAI | CAQ | NAO | CAP | 114.2° | 65.2° |
| CAQ | CAI | CAF | H8 | 178.8° | 179.9° |
| CAI | CAQ | CAJ | H11 | 177.4° | 179.8° |
| CAE | CAG | CAJ | CAQ | 1.3° | 0.6° |
| CAE | CAG | CAJ | H10 | 180.0° | 179.6° |
| CAG | CAE | CAF | H8 | 179.9° | 179.9° |
| CAE | CAG | CAJ | H11 | 178.7° | 179.7° |
| NAO | CAQ | CAJ | CAG | 177.0° | 179.8° |
| CAQ | NAO | CAP | NAN | 173.0° | 172.7° |
| CAQ | NAO | CAP | CAR | 2.7° | 7.3° |
| NAO | CAQ | CAI | H7 | 2.9° | 0.1° |
| NAO | CAQ | CAJ | H11 | 3.0° | 0.1° |
| CAQ | CAJ | CAG | H11 | 180.0° | 179.7° |
| CAJ | CAQ | NAO | CAP | 71.3° | 114.5° |
| CAJ | CAQ | CAI | H7 | 177.5° | 179.7° |
| CAQ | CAJ | CAG | H10 | 178.7° | 179.8° |
| CAJ | CAG | CAE | H9 | 180.0° | 179.8° |
| NAO | CAP | NAN | CAR | 176.0° | 180.0° |
| NAO | CAP | NAN | OAA | 40.7° | 0.0° |
| NAO | CAP | CAR | CAM | 65.0° | 141.3° |
| NAO | CAP | CAR | CAK | 117.9° | 38.7° |
| NAO | CAP | NAN | H5 | 139.2° | 180.0° |
| CAP | NAN | OAA | H5 | 180.0° | 180.0° |
| NAN | CAP | CAR | CAM | 119.2° | 38.7° |
| NAN | CAP | CAR | CAK | 57.8° | 141.3° |
| CAP | NAN | OAA | H6 | 180.0° | 180.0° |
| CAR | CAP | NAN | OAA | 135.3° | 180.0° |
| CAP | CAR | CAM | CAK | 177.0° | 179.9° |
| CAP | CAR | CAM | CAS | 178.7° | 180.0° |
| CAP | CAR | CAK | CAH | 179.0° | 179.8° |
| CAP | CAR | CAM | H1 | 1.3° | 0.0° |
| CAP | CAR | CAK | H4 | 1.0° | 0.0° |
| CAR | CAP | NAN | H5 | 44.7° | 0.0° |
| FAC | CAT | CAS | CAM | 1.8° | 60.2° |
| FAC | CAT | CAS | FAB | 122.4° | 120.1° |
| FAC | CAT | CAS | FAD | 121.1° | 120.0° |
| FAC | CAT | FAB | FAD | 118.0° | 120.0° |
| FAC | CAT | CAS | CAL | 178.4° | 120.0° |
| CAR | CAM | CAS | H1 | 180.0° | 180.0° |
| CAR | CAM | CAS | CAT | 179.1° | 180.0° |
| CAR | CAM | CAS | CAL | 0.7° | 0.3° |
| CAM | CAR | CAK | CAH | 1.8° | 0.2° |
| CAM | CAR | CAK | H4 | 178.2° | 180.0° |
| CAS | CAM | CAR | CAK | 1.7° | 0.1° |
| CAM | CAS | CAT | CAL | 179.8° | 179.8° |
| CAM | CAS | CAT | FAB | 120.6° | 179.7° |
| CAM | CAS | CAT | FAD | 122.9° | 59.7° |
| CAM | CAS | CAL | CAH | 0.2° | 0.2° |
| CAM | CAS | CAL | H2 | 179.7° | 179.7° |
| CAR | CAK | CAH | H4 | 180.0° | 179.8° |
| CAR | CAK | CAH | CAL | 0.8° | 0.2° |
| CAK | CAR | CAM | H1 | 178.3° | 179.9° |
| CAR | CAK | CAH | H3 | 179.2° | 179.8° |
| CAS | CAT | FAB | FAD | 117.6° | 120.0° |
| CAT | CAS | CAL | CAH | 180.0° | 180.0° |
| CAT | CAS | CAM | H1 | 0.9° | 0.0° |
| CAT | CAS | CAL | H2 | 0.1° | 0.0° |
| FAB | CAT | CAS | CAL | 59.2° | 0.0° |
| FAD | CAT | CAS | CAL | 57.3° | 120.0° |
| CAS | CAL | CAH | CAK | 0.2° | 0.0° |
| CAS | CAL | CAH | H2 | 180.0° | 179.9° |
| CAL | CAS | CAM | H1 | 179.3° | 179.7° |
| CAS | CAL | CAH | H3 | 179.8° | 180.0° |
| CAK | CAH | CAL | H3 | 180.0° | 180.0° |
| CAK | CAH | CAL | H2 | 179.8° | 179.9° |
| CAL | CAH | CAK | H4 | 179.2° | 180.0° |
| H2 | CAL | CAH | H3 | 0.2° | 0.1° |
| H3 | CAH | CAK | H4 | 0.8° | 0.0° |
| H5 | NAN | OAA | H6 | 0.0° | 0.0° |
| H7 | CAI | CAF | H8 | 1.1° | 0.1° |
| H8 | CAF | CAE | H9 | 0.1° | 0.0° |
| H9 | CAE | CAG | H10 | 0.0° | 0.2° |
| H10 | CAG | CAJ | H11 | 1.3° | 0.1° |
