5PF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAL | sing | 1.40Å | 1.33Å | Aromatic |
| CAS | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.48Å | 1.33Å | |
| CAL | CAM | doub | 1.40Å | 1.35Å | Aromatic |
| CAP | CAK | doub | 1.36Å | 1.32Å | Aromatic |
| CAP | NAO | sing | 1.34Å | 1.32Å | Aromatic |
| CAK | NAJ | sing | 1.38Å | 1.35Å | Aromatic |
| CAT | CAM | sing | 1.38Å | 1.34Å | Aromatic |
| CAT | FAU | sing | 1.35Å | 1.45Å | |
| CAM | CAI | sing | 1.51Å | 1.40Å | |
| NAO | CAN | doub | 1.31Å | 1.32Å | Aromatic |
| NAJ | CAI | sing | 1.47Å | 1.47Å | |
| NAJ | CAN | sing | 1.35Å | 1.33Å | Aromatic |
| CAI | CAH | sing | 1.53Å | 1.56Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAG | OAV | sing | 1.43Å | 1.42Å | |
| CAG | CAC | sing | 1.53Å | 1.52Å | |
| CAC | CAB | sing | 1.53Å | 1.51Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAA | CAF | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAD | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| OAV | H13 | sing | 0.97Å | 0.95Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å | |
| CAS | H17 | sing | 1.08Å | 1.08Å | |
| CAR | H18 | sing | 1.08Å | 1.08Å | |
| CAQ | H19 | sing | 1.08Å | 1.08Å | |
| CAN | H20 | sing | 1.08Å | 1.08Å | |
| CAP | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAR | CAS | 119.7° | 120.3° |
| CAR | CAQ | CAL | 119.5° | 119.9° |
| CAQ | CAR | H18 | 120.1° | 119.9° |
| CAR | CAQ | H19 | 120.3° | 120.0° |
| CAR | CAS | CAT | 118.4° | 120.1° |
| CAR | CAS | H17 | 120.8° | 119.9° |
| CAS | CAR | H18 | 120.1° | 119.8° |
| CAQ | CAL | CAK | 128.7° | 132.0° |
| CAQ | CAL | CAM | 121.2° | 119.4° |
| CAL | CAQ | H19 | 120.2° | 120.1° |
| CAS | CAT | CAM | 119.8° | 119.9° |
| CAS | CAT | FAU | 121.0° | 120.1° |
| CAT | CAS | H17 | 120.8° | 119.9° |
| CAK | CAL | CAM | 110.0° | 108.5° |
| CAL | CAK | CAP | 140.6° | 143.9° |
| CAL | CAK | NAJ | 111.2° | 109.7° |
| CAL | CAM | CAT | 121.3° | 120.3° |
| CAL | CAM | CAI | 107.8° | 106.9° |
| CAK | CAP | NAO | 106.8° | 107.9° |
| CAP | CAK | NAJ | 108.1° | 106.4° |
| CAK | CAP | H21 | 126.6° | 126.0° |
| CAP | NAO | CAN | 110.3° | 109.6° |
| NAO | CAP | H21 | 126.6° | 126.1° |
| CAK | NAJ | CAI | 105.0° | 108.4° |
| CAK | NAJ | CAN | 108.0° | 107.3° |
| CAM | CAT | FAU | 119.2° | 120.0° |
| CAT | CAM | CAI | 130.8° | 132.8° |
| CAM | CAI | NAJ | 105.8° | 106.5° |
| CAM | CAI | CAH | 116.4° | 110.1° |
| CAM | CAI | H16 | 106.3° | 110.0° |
| NAO | CAN | NAJ | 106.6° | 108.9° |
| NAO | CAN | H20 | 126.7° | 125.6° |
| CAI | NAJ | CAN | 146.5° | 144.4° |
| NAJ | CAI | CAH | 117.3° | 110.1° |
| NAJ | CAI | H16 | 105.5° | 110.1° |
| NAJ | CAN | H20 | 126.7° | 125.5° |
| CAI | CAH | CAG | 115.1° | 109.5° |
| CAI | CAH | H14 | 108.1° | 109.5° |
| CAI | CAH | H15 | 108.1° | 109.4° |
| CAH | CAI | H16 | 104.6° | 110.1° |
| CAH | CAG | OAV | 113.7° | 109.5° |
| CAH | CAG | CAC | 109.4° | 109.4° |
| CAH | CAG | H12 | 108.5° | 109.5° |
| CAG | CAH | H14 | 108.0° | 109.5° |
| CAG | CAH | H15 | 108.0° | 109.5° |
| OAV | CAG | CAC | 106.1° | 109.5° |
| OAV | CAG | H12 | 110.2° | 109.5° |
| CAG | OAV | H13 | 109.5° | 114.0° |
| CAG | CAC | CAB | 109.0° | 109.4° |
| CAG | CAC | CAD | 108.8° | 109.5° |
| CAG | CAC | H11 | 109.9° | 109.5° |
| CAC | CAG | H12 | 108.8° | 109.5° |
| CAB | CAC | CAD | 109.3° | 109.5° |
| CAC | CAB | CAA | 109.9° | 109.5° |
| CAC | CAB | H1 | 109.3° | 109.5° |
| CAC | CAB | H2 | 109.4° | 109.5° |
| CAB | CAC | H11 | 110.0° | 109.5° |
| CAC | CAD | CAE | 109.7° | 109.5° |
| CAC | CAD | H9 | 109.4° | 109.4° |
| CAC | CAD | H10 | 109.4° | 109.5° |
| CAD | CAC | H11 | 109.8° | 109.5° |
| CAB | CAA | CAF | 108.4° | 109.5° |
| CAA | CAB | H1 | 109.4° | 109.4° |
| CAA | CAB | H2 | 109.3° | 109.5° |
| CAB | CAA | H3 | 109.7° | 109.4° |
| CAB | CAA | H4 | 109.7° | 109.5° |
| CAD | CAE | CAF | 108.5° | 109.5° |
| CAD | CAE | H7 | 109.7° | 109.4° |
| CAD | CAE | H8 | 109.7° | 109.5° |
| CAE | CAD | H9 | 109.4° | 109.5° |
| CAE | CAD | H10 | 109.4° | 109.5° |
| CAA | CAF | CAE | 110.2° | 109.5° |
| CAF | CAA | H3 | 109.7° | 109.5° |
| CAF | CAA | H4 | 109.7° | 109.5° |
| CAA | CAF | H5 | 109.3° | 109.5° |
| CAA | CAF | H6 | 109.3° | 109.5° |
| CAE | CAF | H5 | 109.3° | 109.5° |
| CAE | CAF | H6 | 109.3° | 109.5° |
| CAF | CAE | H7 | 109.7° | 109.5° |
| CAF | CAE | H8 | 109.7° | 109.5° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H5 | CAF | H6 | 109.5° | 109.5° |
| H7 | CAE | H8 | 109.5° | 109.4° |
| H9 | CAD | H10 | 109.5° | 109.4° |
| H14 | CAH | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAR | CAS | H18 | 180.0° | 180.0° |
| CAR | CAQ | CAL | H19 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.4° | 0.0° |
| CAR | CAQ | CAL | CAK | 177.8° | 180.0° |
| CAR | CAQ | CAL | CAM | 2.5° | 0.0° |
| CAQ | CAR | CAS | H17 | 179.6° | 180.0° |
| CAS | CAR | CAQ | CAL | 0.9° | 0.0° |
| CAR | CAS | CAT | H17 | 180.0° | 180.0° |
| CAR | CAS | CAT | CAM | 1.5° | 0.0° |
| CAR | CAS | CAT | FAU | 179.9° | 180.0° |
| CAS | CAR | CAQ | H19 | 179.1° | 180.0° |
| CAQ | CAL | CAK | CAM | 175.7° | 180.0° |
| CAQ | CAL | CAK | CAP | 4.1° | 0.0° |
| CAQ | CAL | CAK | NAJ | 179.6° | 179.9° |
| CAQ | CAL | CAM | CAT | 3.7° | 0.0° |
| CAQ | CAL | CAM | CAI | 179.3° | 180.0° |
| CAL | CAQ | CAR | H18 | 179.1° | 180.0° |
| CAS | CAT | CAM | CAL | 3.1° | 0.0° |
| CAS | CAT | CAM | FAU | 178.6° | 179.9° |
| CAS | CAT | CAM | CAI | 179.4° | 180.0° |
| CAT | CAS | CAR | H18 | 179.6° | 179.9° |
| CAL | CAK | CAP | NAJ | 175.6° | 179.9° |
| CAL | CAK | CAP | NAO | 179.0° | 180.0° |
| CAK | CAL | CAM | CAT | 179.8° | 180.0° |
| CAK | CAL | CAM | CAI | 3.2° | 0.0° |
| CAL | CAK | NAJ | CAI | 4.1° | 0.0° |
| CAL | CAK | NAJ | CAN | 178.0° | 180.0° |
| CAK | CAL | CAQ | H19 | 2.1° | 0.0° |
| CAL | CAK | CAP | H21 | 1.1° | 0.0° |
| CAM | CAL | CAK | CAP | 179.8° | 180.0° |
| CAM | CAL | CAK | NAJ | 4.7° | 0.0° |
| CAL | CAM | CAT | CAI | 176.2° | 180.0° |
| CAL | CAM | CAT | FAU | 178.2° | 180.0° |
| CAL | CAM | CAI | NAJ | 0.6° | 0.0° |
| CAL | CAM | CAI | CAH | 132.8° | 119.2° |
| CAL | CAM | CAI | H16 | 111.2° | 119.3° |
| CAM | CAL | CAQ | H19 | 177.4° | 180.0° |
| CAK | CAP | NAO | H21 | 180.0° | 180.0° |
| CAK | CAP | NAO | CAN | 0.5° | 0.0° |
| CAP | CAK | NAJ | CAI | 178.9° | 180.0° |
| CAP | CAK | NAJ | CAN | 5.1° | 0.0° |
| NAO | CAP | CAK | NAJ | 3.4° | 0.0° |
| CAP | NAO | CAN | NAJ | 2.6° | 0.0° |
| CAP | NAO | CAN | H20 | 177.4° | 180.0° |
| CAK | NAJ | CAI | CAM | 2.0° | 0.0° |
| CAK | NAJ | CAN | NAO | 4.7° | 0.0° |
| CAK | NAJ | CAI | CAN | 169.4° | 180.0° |
| CAK | NAJ | CAI | CAH | 129.7° | 119.2° |
| CAK | NAJ | CAI | H16 | 114.5° | 119.3° |
| CAK | NAJ | CAN | H20 | 175.3° | 180.0° |
| NAJ | CAK | CAP | H21 | 176.7° | 180.0° |
| CAT | CAM | CAI | NAJ | 177.3° | 180.0° |
| CAT | CAM | CAI | CAH | 50.5° | 60.8° |
| CAT | CAM | CAI | H16 | 65.4° | 60.7° |
| CAM | CAT | CAS | H17 | 178.5° | 180.0° |
| FAU | CAT | CAM | CAI | 2.0° | 0.1° |
| FAU | CAT | CAS | H17 | 0.1° | 0.0° |
| CAM | CAI | NAJ | CAH | 131.7° | 119.3° |
| CAM | CAI | NAJ | H16 | 112.4° | 119.2° |
| CAM | CAI | NAJ | CAN | 171.5° | 180.0° |
| CAM | CAI | CAH | H16 | 117.0° | 121.4° |
| CAM | CAI | CAH | CAG | 167.0° | 66.0° |
| CAM | CAI | CAH | H14 | 72.2° | 174.0° |
| CAM | CAI | CAH | H15 | 46.2° | 54.0° |
| NAO | CAN | NAJ | CAI | 173.9° | 180.0° |
| NAO | CAN | NAJ | H20 | 180.0° | 180.0° |
| CAN | NAO | CAP | H21 | 179.6° | 180.0° |
| NAJ | CAI | CAH | H16 | 116.4° | 121.5° |
| NAJ | CAI | CAH | CAG | 66.3° | 51.1° |
| NAJ | CAI | CAH | H14 | 54.5° | 68.9° |
| NAJ | CAI | CAH | H15 | 172.8° | 171.0° |
| CAI | NAJ | CAN | H20 | 6.0° | 0.0° |
| CAN | NAJ | CAI | CAH | 39.8° | 60.7° |
| CAN | NAJ | CAI | H16 | 76.1° | 60.8° |
| CAI | CAH | CAG | H14 | 120.8° | 120.0° |
| CAI | CAH | CAG | H15 | 120.8° | 120.0° |
| CAI | CAH | CAG | OAV | 58.4° | 65.1° |
| CAI | CAH | CAG | CAC | 176.9° | 174.9° |
| CAI | CAH | CAG | H12 | 64.6° | 54.9° |
| CAI | CAH | H14 | H15 | 117.5° | 120.0° |
| CAH | CAG | OAV | CAC | 120.3° | 120.0° |
| CAH | CAG | OAV | H12 | 122.0° | 120.0° |
| CAH | CAG | CAC | H12 | 118.4° | 119.9° |
| CAH | CAG | CAC | CAB | 177.3° | 180.0° |
| CAH | CAG | CAC | CAD | 63.6° | 60.0° |
| CAH | CAG | CAC | H11 | 56.7° | 60.0° |
| CAH | CAG | OAV | H13 | 180.0° | 60.0° |
| CAG | CAH | H14 | H15 | 117.4° | 120.0° |
| CAG | CAH | CAI | H16 | 50.0° | 172.5° |
| OAV | CAG | CAC | H12 | 118.6° | 120.1° |
| OAV | CAG | CAC | CAB | 59.6° | 60.0° |
| OAV | CAG | CAC | CAD | 59.5° | 60.0° |
| OAV | CAG | CAC | H11 | 179.7° | 180.0° |
| OAV | CAG | CAH | H14 | 62.4° | 174.9° |
| OAV | CAG | CAH | H15 | 179.2° | 54.8° |
| CAG | CAC | CAB | CAD | 118.8° | 120.0° |
| CAG | CAC | CAB | H11 | 120.5° | 120.0° |
| CAG | CAC | CAD | H11 | 120.3° | 120.0° |
| CAG | CAC | CAB | CAA | 179.9° | 180.0° |
| CAG | CAC | CAD | CAE | 180.0° | 180.0° |
| CAG | CAC | CAB | H1 | 60.0° | 60.0° |
| CAG | CAC | CAB | H2 | 59.8° | 60.0° |
| CAG | CAC | CAD | H9 | 59.9° | 60.0° |
| CAG | CAC | CAD | H10 | 60.0° | 59.9° |
| CAC | CAG | OAV | H13 | 59.7° | 60.0° |
| CAC | CAG | CAH | H14 | 56.0° | 54.9° |
| CAC | CAG | CAH | H15 | 62.3° | 65.2° |
| CAB | CAC | CAD | H11 | 120.8° | 120.0° |
| CAC | CAB | CAA | H1 | 120.1° | 120.0° |
| CAC | CAB | CAA | H2 | 120.1° | 120.1° |
| CAB | CAC | CAD | CAE | 61.0° | 60.0° |
| CAC | CAB | CAA | CAF | 60.2° | 60.0° |
| CAC | CAB | H1 | H2 | 119.8° | 120.0° |
| CAC | CAB | CAA | H3 | 59.6° | 60.0° |
| CAC | CAB | CAA | H4 | 180.0° | 180.0° |
| CAB | CAC | CAD | H9 | 59.0° | 179.9° |
| CAB | CAC | CAD | H10 | 179.0° | 60.0° |
| CAB | CAC | CAG | H12 | 58.9° | 60.1° |
| CAD | CAC | CAB | CAA | 61.1° | 60.0° |
| CAC | CAD | CAE | H9 | 120.0° | 120.0° |
| CAC | CAD | CAE | H10 | 120.1° | 120.0° |
| CAC | CAD | CAE | CAF | 60.0° | 60.0° |
| CAD | CAC | CAB | H1 | 178.8° | 60.0° |
| CAD | CAC | CAB | H2 | 59.0° | 180.0° |
| CAC | CAD | CAE | H7 | 179.9° | 60.0° |
| CAC | CAD | CAE | H8 | 59.8° | 180.0° |
| CAC | CAD | H9 | H10 | 119.9° | 119.9° |
| CAD | CAC | CAG | H12 | 178.1° | 180.0° |
| CAB | CAA | CAF | H3 | 119.8° | 120.0° |
| CAB | CAA | CAF | H4 | 119.9° | 120.0° |
| CAB | CAA | CAF | CAE | 59.9° | 60.0° |
| CAA | CAB | H1 | H2 | 119.8° | 120.0° |
| CAB | CAA | H3 | H4 | 120.5° | 120.0° |
| CAB | CAA | CAF | H5 | 180.0° | 180.0° |
| CAB | CAA | CAF | H6 | 60.2° | 60.0° |
| CAA | CAB | CAC | H11 | 59.6° | 60.1° |
| CAD | CAE | CAF | CAA | 59.9° | 60.0° |
| CAD | CAE | CAF | H7 | 119.9° | 120.0° |
| CAD | CAE | CAF | H8 | 119.8° | 120.0° |
| CAD | CAE | CAF | H5 | 180.0° | 180.0° |
| CAD | CAE | CAF | H6 | 60.2° | 60.1° |
| CAD | CAE | H7 | H8 | 120.5° | 120.0° |
| CAE | CAD | H9 | H10 | 119.8° | 120.0° |
| CAE | CAD | CAC | H11 | 59.8° | 60.0° |
| CAA | CAF | CAE | H5 | 120.1° | 120.0° |
| CAA | CAF | CAE | H6 | 120.1° | 120.0° |
| CAF | CAA | CAB | H1 | 179.7° | 60.0° |
| CAF | CAA | CAB | H2 | 59.9° | 180.0° |
| CAF | CAA | H3 | H4 | 120.5° | 120.0° |
| CAA | CAF | H5 | H6 | 119.7° | 120.0° |
| CAA | CAF | CAE | H7 | 179.8° | 60.0° |
| CAA | CAF | CAE | H8 | 59.9° | 180.0° |
| CAE | CAF | CAA | H3 | 59.9° | 60.0° |
| CAE | CAF | CAA | H4 | 179.7° | 180.0° |
| CAE | CAF | H5 | H6 | 119.7° | 120.0° |
| CAF | CAE | H7 | H8 | 120.4° | 120.0° |
| CAF | CAE | CAD | H9 | 60.0° | 180.0° |
| CAF | CAE | CAD | H10 | 179.9° | 60.0° |
| H1 | CAB | CAA | H3 | 60.4° | 180.0° |
| H1 | CAB | CAA | H4 | 59.9° | 60.0° |
| H1 | CAB | CAC | H11 | 60.5° | 180.0° |
| H2 | CAB | CAA | H3 | 179.7° | 60.0° |
| H2 | CAB | CAA | H4 | 60.0° | 59.9° |
| H2 | CAB | CAC | H11 | 179.6° | 60.0° |
| H3 | CAA | CAF | H5 | 60.2° | 60.0° |
| H3 | CAA | CAF | H6 | 180.0° | 180.0° |
| H4 | CAA | CAF | H5 | 60.2° | 60.0° |
| H4 | CAA | CAF | H6 | 59.7° | 60.0° |
| H5 | CAF | CAE | H7 | 60.1° | 60.0° |
| H5 | CAF | CAE | H8 | 60.2° | 60.0° |
| H6 | CAF | CAE | H7 | 59.7° | 180.0° |
| H6 | CAF | CAE | H8 | 180.0° | 60.0° |
| H7 | CAE | CAD | H9 | 59.8° | 60.0° |
| H7 | CAE | CAD | H10 | 60.1° | 180.0° |
| H8 | CAE | CAD | H9 | 179.8° | 59.9° |
| H8 | CAE | CAD | H10 | 60.2° | 60.0° |
| H9 | CAD | CAC | H11 | 179.8° | 60.0° |
| H10 | CAD | CAC | H11 | 60.3° | 180.0° |
| H11 | CAC | CAG | H12 | 61.7° | 59.9° |
| H12 | CAG | OAV | H13 | 58.0° | 180.0° |
| H12 | CAG | CAH | H14 | 174.6° | 65.1° |
| H12 | CAG | CAH | H15 | 56.2° | 174.9° |
| H14 | CAH | CAI | H16 | 170.8° | 52.6° |
| H15 | CAH | CAI | H16 | 70.8° | 67.5° |
| H17 | CAS | CAR | H18 | 0.4° | 0.0° |
| H18 | CAR | CAQ | H19 | 0.9° | 0.0° |
