5PE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAN | sing | 1.43Å | 1.48Å | |
| OAN | CAT | sing | 1.36Å | 1.41Å | |
| CAT | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAT | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAS | doub | 1.38Å | 1.42Å | Aromatic |
| CAR | OAC | sing | 1.36Å | 1.37Å | |
| CAR | CAH | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAU | sing | 1.51Å | 1.56Å | |
| CAU | SAO | sing | 1.84Å | 1.84Å | |
| CAU | NAV | sing | 1.47Å | 1.49Å | |
| SAO | CAK | sing | 1.84Å | 1.80Å | |
| CAK | CAP | sing | 1.51Å | 1.57Å | |
| CAP | OAB | doub | 1.21Å | 1.22Å | |
| CAP | NAV | sing | 1.33Å | 1.37Å | |
| NAV | CAL | sing | 1.46Å | 1.46Å | |
| CAL | CAQ | sing | 1.51Å | 1.52Å | |
| CAQ | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | NAM | doub | 1.32Å | 1.35Å | Aromatic |
| CAG | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | NAM | sing | 1.32Å | 1.33Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAN | CAT | 118.6° | 117.0° |
| OAN | CAA | HAA1 | 109.5° | 109.5° |
| OAN | CAA | HAA2 | 109.5° | 109.5° |
| OAN | CAA | HAA3 | 109.5° | 109.5° |
| OAN | CAT | CAJ | 123.1° | 120.0° |
| OAN | CAT | CAR | 118.9° | 120.1° |
| CAJ | CAT | CAR | 117.9° | 119.8° |
| CAT | CAJ | CAS | 121.9° | 120.0° |
| CAT | CAJ | HAJ | 119.0° | 120.0° |
| CAT | CAR | OAC | 117.6° | 120.1° |
| CAT | CAR | CAH | 121.1° | 119.9° |
| CAJ | CAS | CAI | 119.6° | 120.1° |
| CAJ | CAS | CAU | 120.9° | 119.9° |
| CAS | CAJ | HAJ | 119.1° | 120.0° |
| OAC | CAR | CAH | 121.2° | 120.1° |
| CAR | OAC | HAC | 109.5° | 114.0° |
| CAR | CAH | CAI | 120.4° | 120.0° |
| CAR | CAH | HAH | 119.8° | 120.0° |
| CAH | CAI | CAS | 119.1° | 120.2° |
| CAI | CAH | HAH | 119.8° | 120.0° |
| CAH | CAI | HAI | 120.5° | 119.9° |
| CAI | CAS | CAU | 119.4° | 120.0° |
| CAS | CAI | HAI | 120.4° | 119.9° |
| CAS | CAU | SAO | 113.1° | 110.7° |
| CAS | CAU | NAV | 112.2° | 110.6° |
| CAS | CAU | HAU | 110.0° | 110.6° |
| SAO | CAU | NAV | 103.6° | 103.1° |
| CAU | SAO | CAK | 97.7° | 94.1° |
| SAO | CAU | HAU | 106.8° | 110.7° |
| CAU | NAV | CAP | 113.1° | 117.9° |
| CAU | NAV | CAL | 121.7° | 121.0° |
| NAV | CAU | HAU | 110.9° | 110.9° |
| SAO | CAK | CAP | 100.4° | 102.3° |
| SAO | CAK | HAK1 | 111.7° | 110.9° |
| SAO | CAK | HAK2 | 111.7° | 110.9° |
| CAK | CAP | OAB | 119.1° | 121.9° |
| CAK | CAP | NAV | 119.1° | 116.4° |
| CAP | CAK | HAK1 | 111.7° | 110.9° |
| CAP | CAK | HAK2 | 111.7° | 110.9° |
| OAB | CAP | NAV | 121.5° | 121.8° |
| CAP | NAV | CAL | 121.3° | 121.0° |
| NAV | CAL | CAQ | 116.1° | 109.5° |
| NAV | CAL | HAL1 | 107.8° | 109.5° |
| NAV | CAL | HAL2 | 107.8° | 109.5° |
| CAL | CAQ | CAG | 121.5° | 119.6° |
| CAL | CAQ | NAM | 118.2° | 119.6° |
| CAQ | CAL | HAL1 | 107.8° | 109.5° |
| CAQ | CAL | HAL2 | 107.8° | 109.5° |
| CAG | CAQ | NAM | 120.3° | 120.8° |
| CAQ | CAG | CAE | 118.4° | 119.2° |
| CAQ | CAG | HAG | 120.8° | 120.4° |
| CAQ | NAM | CAF | 121.5° | 121.7° |
| CAG | CAE | CAD | 120.4° | 118.4° |
| CAE | CAG | HAG | 120.8° | 120.4° |
| CAG | CAE | HAE | 119.8° | 120.8° |
| CAE | CAD | CAF | 117.6° | 119.2° |
| CAD | CAE | HAE | 119.8° | 120.8° |
| CAE | CAD | HAD | 121.2° | 120.4° |
| CAD | CAF | NAM | 121.7° | 120.7° |
| CAF | CAD | HAD | 121.2° | 120.4° |
| CAD | CAF | HAF | 119.1° | 119.7° |
| NAM | CAF | HAF | 119.2° | 119.6° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAK1 | CAK | HAK2 | 109.5° | 110.8° |
| HAL1 | CAL | HAL2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAN | CAT | CAJ | 9.5° | 0.0° |
| CAA | OAN | CAT | CAR | 171.3° | 179.7° |
| OAN | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAN | CAA | HAA1 | HAA3 | 120.0° | 120.1° |
| OAN | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| OAN | CAT | CAJ | CAR | 179.2° | 179.7° |
| OAN | CAT | CAJ | CAS | 179.8° | 180.0° |
| OAN | CAT | CAR | OAC | 2.4° | 0.1° |
| OAN | CAT | CAR | CAH | 179.3° | 179.9° |
| CAT | OAN | CAA | HAA1 | 180.0° | 180.0° |
| CAT | OAN | CAA | HAA2 | 60.0° | 60.0° |
| CAT | OAN | CAA | HAA3 | 60.0° | 60.0° |
| OAN | CAT | CAJ | HAJ | 0.2° | 0.0° |
| CAT | CAJ | CAS | HAJ | 180.0° | 180.0° |
| CAJ | CAT | CAR | OAC | 178.4° | 179.8° |
| CAJ | CAT | CAR | CAH | 1.5° | 0.4° |
| CAT | CAJ | CAS | CAI | 0.1° | 0.0° |
| CAT | CAJ | CAS | CAU | 179.5° | 180.0° |
| CAR | CAT | CAJ | CAS | 0.7° | 0.3° |
| CAT | CAR | OAC | CAH | 176.9° | 179.9° |
| CAT | CAR | CAH | CAI | 1.6° | 0.1° |
| CAR | CAT | CAJ | HAJ | 179.4° | 179.7° |
| CAT | CAR | OAC | HAC | 180.0° | 90.0° |
| CAT | CAR | CAH | HAH | 178.4° | 180.0° |
| CAJ | CAS | CAI | CAH | 0.1° | 0.3° |
| CAJ | CAS | CAI | CAU | 179.3° | 180.0° |
| CAJ | CAS | CAU | SAO | 54.3° | 91.5° |
| CAJ | CAS | CAU | NAV | 62.4° | 154.9° |
| CAJ | CAS | CAI | HAI | 179.9° | 180.0° |
| CAJ | CAS | CAU | HAU | 173.6° | 31.6° |
| OAC | CAR | CAH | CAI | 178.3° | 180.0° |
| OAC | CAR | CAH | HAH | 1.7° | 0.2° |
| CAR | CAH | CAI | HAH | 180.0° | 179.8° |
| CAR | CAH | CAI | CAS | 0.7° | 0.2° |
| CAH | CAR | OAC | HAC | 3.1° | 89.9° |
| CAR | CAH | CAI | HAI | 179.3° | 180.0° |
| CAH | CAI | CAS | HAI | 180.0° | 179.8° |
| CAH | CAI | CAS | CAU | 179.5° | 179.8° |
| CAI | CAS | CAU | SAO | 126.4° | 88.6° |
| CAI | CAS | CAU | NAV | 116.9° | 25.1° |
| CAI | CAS | CAJ | HAJ | 179.8° | 180.0° |
| CAS | CAI | CAH | HAH | 179.3° | 179.7° |
| CAI | CAS | CAU | HAU | 7.1° | 148.4° |
| CAS | CAU | SAO | NAV | 121.7° | 118.3° |
| CAS | CAU | SAO | HAU | 121.1° | 123.0° |
| CAS | CAU | NAV | HAU | 123.5° | 123.1° |
| CAS | CAU | SAO | CAK | 145.1° | 140.3° |
| CAS | CAU | NAV | CAP | 145.8° | 135.1° |
| CAS | CAU | NAV | CAL | 56.2° | 44.9° |
| CAU | CAS | CAJ | HAJ | 0.5° | 0.0° |
| CAU | CAS | CAI | HAI | 0.5° | 0.0° |
| SAO | CAU | NAV | HAU | 114.3° | 118.5° |
| CAU | SAO | CAK | CAP | 16.1° | 21.5° |
| SAO | CAU | NAV | CAP | 23.5° | 16.8° |
| SAO | CAU | NAV | CAL | 178.4° | 163.2° |
| CAU | SAO | CAK | HAK1 | 102.4° | 96.7° |
| CAU | SAO | CAK | HAK2 | 134.6° | 139.7° |
| NAV | CAU | SAO | CAK | 23.4° | 21.9° |
| CAU | NAV | CAP | CAK | 13.2° | 0.3° |
| CAU | NAV | CAP | OAB | 172.5° | 179.6° |
| CAU | NAV | CAP | CAL | 158.1° | 180.0° |
| CAU | NAV | CAL | CAQ | 103.8° | 90.0° |
| CAU | NAV | CAL | HAL1 | 17.1° | 150.0° |
| CAU | NAV | CAL | HAL2 | 135.2° | 30.1° |
| SAO | CAK | CAP | HAK1 | 118.5° | 118.2° |
| SAO | CAK | CAP | HAK2 | 118.5° | 118.2° |
| SAO | CAK | CAP | OAB | 169.8° | 163.9° |
| SAO | CAK | CAP | NAV | 4.7° | 16.2° |
| CAK | SAO | CAU | HAU | 93.8° | 96.7° |
| SAO | CAK | HAK1 | HAK2 | 124.2° | 123.5° |
| CAK | CAP | OAB | NAV | 174.3° | 179.9° |
| CAK | CAP | NAV | CAL | 171.3° | 179.7° |
| CAP | CAK | HAK1 | HAK2 | 124.2° | 123.6° |
| OAB | CAP | NAV | CAL | 14.4° | 0.4° |
| OAB | CAP | CAK | HAK1 | 71.7° | 77.9° |
| OAB | CAP | CAK | HAK2 | 51.2° | 45.7° |
| CAP | NAV | CAL | CAQ | 99.9° | 90.0° |
| CAP | NAV | CAU | HAU | 90.7° | 101.8° |
| NAV | CAP | CAK | HAK1 | 113.8° | 102.0° |
| NAV | CAP | CAK | HAK2 | 123.2° | 134.4° |
| CAP | NAV | CAL | HAL1 | 139.1° | 30.0° |
| CAP | NAV | CAL | HAL2 | 21.0° | 149.9° |
| NAV | CAL | CAQ | HAL1 | 121.0° | 120.0° |
| NAV | CAL | CAQ | HAL2 | 120.9° | 120.0° |
| NAV | CAL | CAQ | CAG | 41.4° | 95.0° |
| NAV | CAL | CAQ | NAM | 136.8° | 85.3° |
| CAL | NAV | CAU | HAU | 67.3° | 78.2° |
| NAV | CAL | HAL1 | HAL2 | 117.0° | 120.0° |
| CAL | CAQ | CAG | NAM | 178.1° | 179.7° |
| CAL | CAQ | CAG | CAE | 179.5° | 180.0° |
| CAL | CAQ | NAM | CAF | 179.5° | 179.7° |
| CAQ | CAL | HAL1 | HAL2 | 117.0° | 120.0° |
| CAL | CAQ | CAG | HAG | 0.5° | 0.1° |
| CAQ | CAG | CAE | HAG | 180.0° | 179.9° |
| CAQ | CAG | CAE | CAD | 2.0° | 0.1° |
| CAG | CAQ | NAM | CAF | 2.3° | 0.6° |
| CAG | CAQ | CAL | HAL1 | 162.3° | 25.0° |
| CAG | CAQ | CAL | HAL2 | 79.6° | 145.0° |
| CAQ | CAG | CAE | HAE | 178.0° | 180.0° |
| NAM | CAQ | CAG | CAE | 2.4° | 0.3° |
| CAQ | NAM | CAF | CAD | 1.7° | 0.6° |
| NAM | CAQ | CAL | HAL1 | 15.8° | 154.7° |
| NAM | CAQ | CAL | HAL2 | 102.3° | 34.7° |
| NAM | CAQ | CAG | HAG | 177.6° | 179.8° |
| CAQ | NAM | CAF | HAF | 178.3° | 179.8° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 1.4° | 0.1° |
| CAG | CAE | CAD | HAD | 178.7° | 180.0° |
| CAE | CAD | CAF | HAD | 180.0° | 179.9° |
| CAE | CAD | CAF | NAM | 1.2° | 0.3° |
| CAD | CAE | CAG | HAG | 178.0° | 180.0° |
| CAE | CAD | CAF | HAF | 178.8° | 180.0° |
| CAD | CAF | NAM | HAF | 180.0° | 179.7° |
| CAF | CAD | CAE | HAE | 178.6° | 179.9° |
| NAM | CAF | CAD | HAD | 178.8° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAH | CAH | CAI | HAI | 0.7° | 0.1° |
| HAG | CAG | CAE | HAE | 2.0° | 0.0° |
| HAE | CAE | CAD | HAD | 1.3° | 0.0° |
| HAD | CAD | CAF | HAF | 1.2° | 0.1° |






