P0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAR | sing | 1.74Å | 1.58Å | |
| CAR | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 1.36Å | Aromatic |
| CAD | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAS | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAV | sing | 1.51Å | 1.42Å | |
| CAK | NAN | sing | 1.47Å | 1.47Å | |
| NAM | CAT | sing | 1.38Å | 1.35Å | Aromatic |
| NAM | CAU | sing | 1.36Å | 1.35Å | Aromatic |
| CAS | CAT | sing | 1.48Å | 1.38Å | |
| CAS | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| CAV | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | OAA | sing | 1.36Å | 1.36Å | |
| CAT | NAL | doub | 1.31Å | 1.32Å | Aromatic |
| NAN | CAU | sing | 1.38Å | 1.35Å | |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | NAO | doub | 1.31Å | 1.34Å | Aromatic |
| NAL | NAO | sing | 1.29Å | 1.32Å | Aromatic |
| CAQ | CAG | sing | 1.38Å | 1.43Å | Aromatic |
| CAQ | F | sing | 1.35Å | 1.38Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| NAN | H6 | sing | 0.97Å | 1.00Å | |
| NAM | H7 | sing | 0.97Å | 1.00Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| OAA | H9 | sing | 0.97Å | 0.95Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAR | CAH | 114.5° | 120.0° |
| CL | CAR | CAV | 121.6° | 120.0° |
| CAH | CAR | CAV | 123.9° | 120.0° |
| CAR | CAH | CAE | 117.0° | 120.1° |
| CAR | CAH | H1 | 121.5° | 120.0° |
| CAR | CAV | CAK | 122.5° | 120.0° |
| CAR | CAV | CAQ | 117.8° | 120.0° |
| CAH | CAE | CAG | 123.4° | 120.0° |
| CAE | CAH | H1 | 121.5° | 120.0° |
| CAH | CAE | H2 | 118.3° | 120.0° |
| CAI | CAD | CAF | 118.1° | 120.2° |
| CAD | CAI | CAS | 120.8° | 120.0° |
| CAI | CAD | H11 | 120.9° | 119.9° |
| CAD | CAI | H12 | 119.6° | 120.0° |
| CAD | CAF | CAP | 122.3° | 120.3° |
| CAD | CAF | H10 | 118.9° | 119.9° |
| CAF | CAD | H11 | 121.0° | 119.9° |
| CAI | CAS | CAT | 122.0° | 120.1° |
| CAI | CAS | CAJ | 120.8° | 119.7° |
| CAS | CAI | H12 | 119.6° | 120.0° |
| CAF | CAP | CAJ | 118.5° | 120.0° |
| CAF | CAP | OAA | 125.5° | 120.0° |
| CAP | CAF | H10 | 118.8° | 119.9° |
| CAV | CAK | NAN | 112.7° | 109.5° |
| CAK | CAV | CAQ | 119.7° | 120.0° |
| CAV | CAK | H4 | 108.7° | 109.5° |
| CAV | CAK | H5 | 108.7° | 109.5° |
| CAK | NAN | CAU | 120.6° | 120.0° |
| NAN | CAK | H4 | 108.7° | 109.5° |
| NAN | CAK | H5 | 108.7° | 109.5° |
| CAK | NAN | H6 | 106.6° | 120.0° |
| CAT | NAM | CAU | 105.8° | 105.7° |
| NAM | CAT | CAS | 127.1° | 126.5° |
| NAM | CAT | NAL | 108.5° | 107.0° |
| CAT | NAM | H7 | 127.1° | 127.1° |
| NAM | CAU | NAN | 124.9° | 126.4° |
| NAM | CAU | NAO | 109.3° | 107.3° |
| CAU | NAM | H7 | 127.1° | 127.2° |
| CAT | CAS | CAJ | 117.0° | 120.1° |
| CAS | CAT | NAL | 124.4° | 126.5° |
| CAS | CAJ | CAP | 119.4° | 119.8° |
| CAS | CAJ | H8 | 120.3° | 120.1° |
| CAV | CAQ | CAG | 118.9° | 120.0° |
| CAV | CAQ | F | 119.6° | 120.0° |
| CAJ | CAP | OAA | 115.9° | 120.0° |
| CAP | CAJ | H8 | 120.3° | 120.1° |
| CAP | OAA | H9 | 109.5° | 114.0° |
| CAT | NAL | NAO | 110.0° | 110.0° |
| NAN | CAU | NAO | 125.7° | 126.3° |
| CAU | NAN | H6 | 106.6° | 120.1° |
| CAE | CAG | CAQ | 119.0° | 120.0° |
| CAG | CAE | H2 | 118.3° | 120.0° |
| CAE | CAG | H3 | 120.5° | 120.0° |
| CAU | NAO | NAL | 106.4° | 110.1° |
| CAG | CAQ | F | 121.5° | 120.0° |
| CAQ | CAG | H3 | 120.5° | 120.0° |
| H4 | CAK | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAR | CAH | CAV | 179.4° | 179.7° |
| CL | CAR | CAH | CAE | 179.1° | 180.0° |
| CL | CAR | CAV | CAK | 2.0° | 0.0° |
| CL | CAR | CAV | CAQ | 179.7° | 179.7° |
| CL | CAR | CAH | H1 | 0.8° | 0.1° |
| CAR | CAH | CAE | H1 | 180.0° | 179.9° |
| CAH | CAR | CAV | CAK | 178.6° | 179.7° |
| CAH | CAR | CAV | CAQ | 0.4° | 0.5° |
| CAR | CAH | CAE | CAG | 0.1° | 0.0° |
| CAR | CAH | CAE | H2 | 179.9° | 180.0° |
| CAV | CAR | CAH | CAE | 0.3° | 0.3° |
| CAR | CAV | CAK | CAQ | 178.2° | 179.8° |
| CAR | CAV | CAK | NAN | 77.1° | 90.0° |
| CAR | CAV | CAQ | CAG | 1.3° | 0.5° |
| CAR | CAV | CAQ | F | 179.2° | 179.8° |
| CAV | CAR | CAH | H1 | 179.8° | 179.8° |
| CAR | CAV | CAK | H4 | 162.4° | 150.0° |
| CAR | CAV | CAK | H5 | 43.4° | 30.0° |
| CAH | CAE | CAG | H2 | 180.0° | 180.0° |
| CAH | CAE | CAG | CAQ | 1.0° | 0.1° |
| CAH | CAE | CAG | H3 | 179.0° | 180.0° |
| CAI | CAD | CAF | H11 | 180.0° | 179.4° |
| CAD | CAI | CAS | H12 | 180.0° | 179.5° |
| CAI | CAD | CAF | CAP | 1.7° | 0.3° |
| CAD | CAI | CAS | CAT | 178.1° | 179.7° |
| CAD | CAI | CAS | CAJ | 1.8° | 0.5° |
| CAI | CAD | CAF | H10 | 178.3° | 179.7° |
| CAF | CAD | CAI | CAS | 1.0° | 0.5° |
| CAD | CAF | CAP | H10 | 180.0° | 180.0° |
| CAD | CAF | CAP | CAJ | 3.1° | 0.1° |
| CAD | CAF | CAP | OAA | 179.7° | 180.0° |
| CAF | CAD | CAI | H12 | 179.0° | 180.0° |
| CAI | CAS | CAT | NAM | 156.2° | 0.2° |
| CAI | CAS | CAT | CAJ | 176.4° | 179.8° |
| CAI | CAS | CAJ | CAP | 3.2° | 0.3° |
| CAI | CAS | CAT | NAL | 24.7° | 179.9° |
| CAI | CAS | CAJ | H8 | 176.8° | 179.8° |
| CAS | CAI | CAD | H11 | 179.0° | 180.0° |
| CAF | CAP | CAJ | CAS | 3.8° | 0.1° |
| CAF | CAP | CAJ | OAA | 177.5° | 179.9° |
| CAF | CAP | CAJ | H8 | 176.2° | 180.0° |
| CAF | CAP | OAA | H9 | 180.0° | 89.9° |
| CAP | CAF | CAD | H11 | 178.4° | 179.7° |
| CAV | CAK | NAN | H4 | 120.5° | 120.0° |
| CAV | CAK | NAN | H5 | 120.5° | 120.0° |
| CAV | CAK | NAN | CAU | 174.0° | 180.0° |
| CAK | CAV | CAQ | CAG | 179.6° | 179.7° |
| CAK | CAV | CAQ | F | 2.5° | 0.0° |
| CAV | CAK | H4 | H5 | 118.5° | 120.0° |
| CAV | CAK | NAN | H6 | 64.5° | 0.0° |
| CAK | NAN | CAU | NAM | 5.4° | 0.4° |
| NAN | CAK | CAV | CAQ | 104.7° | 89.8° |
| CAK | NAN | CAU | H6 | 121.5° | 179.9° |
| CAK | NAN | CAU | NAO | 176.3° | 180.0° |
| NAN | CAK | H4 | H5 | 118.6° | 120.0° |
| CAT | NAM | CAU | H7 | 180.0° | 180.0° |
| NAM | CAT | CAS | NAL | 179.0° | 179.9° |
| NAM | CAT | CAS | CAJ | 27.4° | 180.0° |
| CAT | NAM | CAU | NAN | 179.5° | 179.9° |
| CAT | NAM | CAU | NAO | 1.0° | 0.3° |
| NAM | CAT | NAL | NAO | 1.0° | 0.0° |
| CAU | NAM | CAT | CAS | 178.0° | 179.9° |
| CAU | NAM | CAT | NAL | 1.2° | 0.2° |
| NAM | CAU | NAN | NAO | 178.3° | 179.6° |
| NAM | CAU | NAO | NAL | 0.4° | 0.3° |
| NAM | CAU | NAN | H6 | 116.1° | 179.7° |
| CAT | CAS | CAJ | CAP | 179.7° | 180.0° |
| CAS | CAT | NAL | NAO | 178.2° | 179.9° |
| CAS | CAT | NAM | H7 | 2.0° | 0.1° |
| CAT | CAS | CAJ | H8 | 0.3° | 0.0° |
| CAT | CAS | CAI | H12 | 1.9° | 0.2° |
| CAS | CAJ | CAP | H8 | 180.0° | 179.9° |
| CAS | CAJ | CAP | OAA | 178.8° | 180.0° |
| CAJ | CAS | CAT | NAL | 151.7° | 0.1° |
| CAJ | CAS | CAI | H12 | 178.2° | 180.0° |
| CAV | CAQ | CAG | CAE | 1.6° | 0.3° |
| CAV | CAQ | CAG | F | 177.8° | 179.7° |
| CAV | CAQ | CAG | H3 | 178.4° | 179.8° |
| CAQ | CAV | CAK | H4 | 15.8° | 30.3° |
| CAQ | CAV | CAK | H5 | 134.8° | 150.2° |
| CAJ | CAP | OAA | H9 | 2.7° | 90.0° |
| CAJ | CAP | CAF | H10 | 176.9° | 179.9° |
| OAA | CAP | CAJ | H8 | 1.3° | 0.1° |
| OAA | CAP | CAF | H10 | 0.3° | 0.0° |
| CAT | NAL | NAO | CAU | 0.3° | 0.2° |
| NAL | CAT | NAM | H7 | 178.8° | 179.9° |
| NAN | CAU | NAO | NAL | 178.9° | 179.9° |
| CAU | NAN | CAK | H4 | 53.5° | 60.0° |
| CAU | NAN | CAK | H5 | 65.6° | 60.0° |
| NAN | CAU | NAM | H7 | 0.5° | 0.1° |
| CAE | CAG | CAQ | H3 | 180.0° | 179.9° |
| CAE | CAG | CAQ | F | 179.5° | 180.0° |
| CAG | CAE | CAH | H1 | 179.9° | 180.0° |
| NAO | CAU | NAN | H6 | 62.1° | 0.1° |
| NAO | CAU | NAM | H7 | 179.0° | 179.8° |
| CAQ | CAG | CAE | H2 | 179.0° | 179.9° |
| F | CAQ | CAG | H3 | 0.5° | 0.1° |
| H1 | CAH | CAE | H2 | 0.1° | 0.0° |
| H2 | CAE | CAG | H3 | 1.0° | 0.0° |
| H4 | CAK | NAN | H6 | 175.1° | 120.0° |
| H5 | CAK | NAN | H6 | 56.0° | 120.0° |
| H10 | CAF | CAD | H11 | 1.6° | 0.3° |
| H11 | CAD | CAI | H12 | 1.0° | 0.6° |
