4OE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAA | CAP | sing | 1.35Å | 1.31Å | |
| CAG | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAV | sing | 1.48Å | 1.33Å | |
| NAO | CAV | sing | 1.36Å | 1.33Å | Aromatic |
| NAO | NAN | sing | 1.40Å | 1.23Å | Aromatic |
| CAV | CAT | doub | 1.39Å | 1.32Å | Aromatic |
| NAN | CAL | doub | 1.31Å | 1.34Å | Aromatic |
| CAT | CAL | sing | 1.41Å | 1.32Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.33Å | |
| FAC | CAW | sing | 1.40Å | 1.30Å | |
| CAM | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| FAD | CAW | sing | 1.40Å | 1.27Å | |
| CAW | CAU | sing | 1.51Å | 1.40Å | |
| CAW | FAE | sing | 1.40Å | 1.30Å | |
| CAU | CAQ | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | FAB | sing | 1.35Å | 1.31Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| NAO | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAA | CAP | CAG | 120.2° | 119.9° |
| FAA | CAP | CAF | 119.6° | 119.8° |
| CAP | CAG | CAJ | 120.0° | 120.1° |
| CAG | CAP | CAF | 120.2° | 120.3° |
| CAP | CAG | H8 | 120.0° | 120.0° |
| CAG | CAJ | CAR | 119.9° | 119.9° |
| CAJ | CAG | H8 | 120.0° | 119.9° |
| CAG | CAJ | H9 | 120.1° | 120.0° |
| CAP | CAF | CAI | 119.9° | 120.1° |
| CAP | CAF | H7 | 120.1° | 120.0° |
| CAJ | CAR | CAI | 120.1° | 119.8° |
| CAJ | CAR | CAV | 120.2° | 120.1° |
| CAR | CAJ | H9 | 120.0° | 120.1° |
| CAF | CAI | CAR | 120.0° | 119.9° |
| CAF | CAI | H6 | 119.9° | 120.0° |
| CAI | CAF | H7 | 120.0° | 119.9° |
| CAI | CAR | CAV | 119.8° | 120.1° |
| CAR | CAI | H6 | 120.0° | 120.1° |
| CAR | CAV | NAO | 124.3° | 126.5° |
| CAR | CAV | CAT | 127.7° | 126.5° |
| CAV | NAO | NAN | 108.6° | 108.1° |
| NAO | CAV | CAT | 108.0° | 107.0° |
| CAV | NAO | H5 | 125.7° | 126.0° |
| NAO | NAN | CAL | 110.4° | 109.1° |
| NAN | NAO | H5 | 125.7° | 125.9° |
| CAV | CAT | CAL | 106.6° | 107.3° |
| CAV | CAT | CAS | 128.4° | 126.3° |
| NAN | CAL | CAT | 106.4° | 108.5° |
| NAN | CAL | H4 | 126.8° | 125.7° |
| CAL | CAT | CAS | 125.0° | 126.4° |
| CAT | CAL | H4 | 126.8° | 125.8° |
| CAT | CAS | CAM | 121.8° | 120.1° |
| CAT | CAS | CAK | 118.4° | 120.1° |
| FAC | CAW | FAD | 109.3° | 109.5° |
| FAC | CAW | CAU | 112.1° | 109.5° |
| FAC | CAW | FAE | 108.9° | 109.4° |
| CAS | CAM | CAU | 120.0° | 119.9° |
| CAM | CAS | CAK | 119.8° | 119.8° |
| CAS | CAM | H1 | 120.0° | 120.1° |
| CAM | CAU | CAW | 123.2° | 119.9° |
| CAM | CAU | CAQ | 119.5° | 120.1° |
| CAU | CAM | H1 | 120.0° | 120.0° |
| CAS | CAK | CAH | 120.4° | 119.9° |
| CAS | CAK | H3 | 119.8° | 120.1° |
| FAD | CAW | CAU | 108.7° | 109.5° |
| FAD | CAW | FAE | 108.5° | 109.5° |
| CAU | CAW | FAE | 109.4° | 109.4° |
| CAW | CAU | CAQ | 117.3° | 119.9° |
| CAU | CAQ | CAH | 120.8° | 120.1° |
| CAU | CAQ | FAB | 119.1° | 119.9° |
| CAK | CAH | CAQ | 119.6° | 120.2° |
| CAK | CAH | H2 | 120.2° | 120.0° |
| CAH | CAK | H3 | 119.8° | 120.1° |
| CAH | CAQ | FAB | 120.2° | 120.0° |
| CAQ | CAH | H2 | 120.2° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAA | CAP | CAG | CAF | 180.0° | 179.9° |
| FAA | CAP | CAG | CAJ | 180.0° | 179.7° |
| FAA | CAP | CAF | CAI | 180.0° | 180.0° |
| FAA | CAP | CAF | H7 | 0.0° | 0.0° |
| FAA | CAP | CAG | H8 | 0.0° | 0.0° |
| CAP | CAG | CAJ | H8 | 180.0° | 179.7° |
| CAP | CAG | CAJ | CAR | 0.3° | 0.6° |
| CAG | CAP | CAF | CAI | 0.0° | 0.1° |
| CAG | CAP | CAF | H7 | 180.0° | 180.0° |
| CAP | CAG | CAJ | H9 | 179.7° | 180.0° |
| CAJ | CAG | CAP | CAF | 0.0° | 0.3° |
| CAG | CAJ | CAR | H9 | 180.0° | 179.5° |
| CAG | CAJ | CAR | CAI | 0.6° | 0.5° |
| CAG | CAJ | CAR | CAV | 179.5° | 179.7° |
| CAP | CAF | CAI | H7 | 180.0° | 180.0° |
| CAP | CAF | CAI | CAR | 0.3° | 0.0° |
| CAP | CAF | CAI | H6 | 179.7° | 179.9° |
| CAF | CAP | CAG | H8 | 180.0° | 180.0° |
| CAJ | CAR | CAI | CAF | 0.6° | 0.2° |
| CAJ | CAR | CAI | CAV | 178.9° | 179.8° |
| CAJ | CAR | CAV | NAO | 78.4° | 46.6° |
| CAJ | CAR | CAV | CAT | 101.8° | 133.8° |
| CAJ | CAR | CAI | H6 | 179.4° | 179.7° |
| CAR | CAJ | CAG | H8 | 179.7° | 179.8° |
| CAF | CAI | CAR | H6 | 180.0° | 179.9° |
| CAF | CAI | CAR | CAV | 179.5° | 180.0° |
| CAI | CAR | CAV | NAO | 100.5° | 133.1° |
| CAI | CAR | CAV | CAT | 79.4° | 46.5° |
| CAR | CAI | CAF | H7 | 179.7° | 180.0° |
| CAI | CAR | CAJ | H9 | 179.4° | 180.0° |
| CAR | CAV | NAO | CAT | 179.9° | 179.7° |
| CAR | CAV | NAO | NAN | 179.8° | 180.0° |
| CAR | CAV | CAT | CAL | 179.7° | 180.0° |
| CAR | CAV | CAT | CAS | 0.5° | 0.3° |
| CAV | CAR | CAI | H6 | 0.5° | 0.0° |
| CAV | CAR | CAJ | H9 | 0.5° | 0.3° |
| CAR | CAV | NAO | H5 | 0.2° | 0.3° |
| CAV | NAO | NAN | H5 | 180.0° | 179.7° |
| CAV | NAO | NAN | CAL | 0.2° | 0.2° |
| NAO | CAV | CAT | CAL | 0.2° | 0.4° |
| NAO | CAV | CAT | CAS | 179.3° | 179.9° |
| NAN | NAO | CAV | CAT | 0.0° | 0.4° |
| NAO | NAN | CAL | CAT | 0.3° | 0.0° |
| NAO | NAN | CAL | H4 | 179.7° | 180.0° |
| CAV | CAT | CAL | NAN | 0.3° | 0.3° |
| CAV | CAT | CAL | CAS | 179.2° | 179.7° |
| CAV | CAT | CAS | CAM | 59.8° | 124.7° |
| CAV | CAT | CAS | CAK | 120.8° | 55.4° |
| CAV | CAT | CAL | H4 | 179.7° | 179.8° |
| CAT | CAV | NAO | H5 | 180.0° | 179.9° |
| NAN | CAL | CAT | H4 | 180.0° | 180.0° |
| NAN | CAL | CAT | CAS | 179.4° | 179.9° |
| CAL | NAN | NAO | H5 | 179.9° | 179.9° |
| CAL | CAT | CAS | CAM | 121.2° | 55.6° |
| CAL | CAT | CAS | CAK | 58.2° | 124.2° |
| CAT | CAS | CAM | CAK | 179.3° | 179.9° |
| CAT | CAS | CAM | CAU | 179.5° | 180.0° |
| CAT | CAS | CAK | CAH | 179.7° | 179.7° |
| CAT | CAS | CAM | H1 | 0.5° | 0.1° |
| CAT | CAS | CAK | H3 | 0.3° | 0.1° |
| CAS | CAT | CAL | H4 | 0.5° | 0.1° |
| FAC | CAW | CAU | CAM | 11.0° | 0.3° |
| FAC | CAW | FAD | CAU | 122.6° | 120.0° |
| FAC | CAW | FAD | FAE | 118.6° | 120.0° |
| FAC | CAW | CAU | FAE | 120.8° | 119.9° |
| FAC | CAW | CAU | CAQ | 169.5° | 180.0° |
| CAS | CAM | CAU | H1 | 180.0° | 179.9° |
| CAS | CAM | CAU | CAW | 179.8° | 180.0° |
| CAS | CAM | CAU | CAQ | 0.2° | 0.3° |
| CAM | CAS | CAK | CAH | 0.3° | 0.2° |
| CAM | CAS | CAK | H3 | 179.7° | 180.0° |
| CAU | CAM | CAS | CAK | 0.2° | 0.1° |
| CAM | CAU | CAW | FAD | 109.9° | 119.7° |
| CAM | CAU | CAW | CAQ | 179.5° | 179.7° |
| CAM | CAU | CAW | FAE | 131.8° | 120.3° |
| CAM | CAU | CAQ | CAH | 0.4° | 0.3° |
| CAM | CAU | CAQ | FAB | 179.9° | 179.7° |
| CAS | CAK | CAH | H3 | 180.0° | 179.8° |
| CAS | CAK | CAH | CAQ | 0.1° | 0.2° |
| CAK | CAS | CAM | H1 | 179.9° | 180.0° |
| CAS | CAK | CAH | H2 | 179.9° | 179.8° |
| FAD | CAW | CAU | FAE | 118.3° | 120.0° |
| FAD | CAW | CAU | CAQ | 69.6° | 60.0° |
| CAW | CAU | CAQ | CAH | 180.0° | 180.0° |
| CAW | CAU | CAQ | FAB | 0.3° | 0.0° |
| CAW | CAU | CAM | H1 | 0.2° | 0.1° |
| FAE | CAW | CAU | CAQ | 48.7° | 60.1° |
| CAU | CAQ | CAH | CAK | 0.3° | 0.0° |
| CAU | CAQ | CAH | FAB | 179.7° | 180.0° |
| CAQ | CAU | CAM | H1 | 179.7° | 179.7° |
| CAU | CAQ | CAH | H2 | 179.7° | 180.0° |
| CAK | CAH | CAQ | H2 | 180.0° | 180.0° |
| CAK | CAH | CAQ | FAB | 179.9° | 180.0° |
| CAQ | CAH | CAK | H3 | 179.9° | 180.0° |
| FAB | CAQ | CAH | H2 | 0.1° | 0.0° |
| H2 | CAH | CAK | H3 | 0.1° | 0.0° |
| H6 | CAI | CAF | H7 | 0.3° | 0.0° |
| H8 | CAG | CAJ | H9 | 0.3° | 0.3° |
