P0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAN | sing | 1.53Å | 1.55Å | |
| NAJ | CAN | sing | 1.47Å | 1.45Å | |
| NAJ | CAP | sing | 1.47Å | 1.45Å | |
| CAB | CAP | sing | 1.53Å | 1.57Å | |
| CAN | CAO | sing | 1.53Å | 1.51Å | |
| CAC | CAP | sing | 1.53Å | 1.54Å | |
| CAP | CAI | sing | 1.53Å | 1.50Å | |
| CAO | CAM | sing | 1.51Å | 1.55Å | |
| CAO | OAK | sing | 1.43Å | 1.44Å | |
| CAI | OAK | sing | 1.43Å | 1.43Å | |
| CAM | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CL1 | sing | 1.74Å | 1.80Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| NAJ | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAN | NAJ | 107.0° | 109.5° |
| CAA | CAN | CAO | 109.9° | 109.5° |
| CAN | CAA | H1 | 109.5° | 109.5° |
| CAN | CAA | H2 | 109.4° | 109.4° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAA | CAN | H16 | 108.4° | 109.5° |
| CAN | NAJ | CAP | 114.7° | 110.7° |
| NAJ | CAN | CAO | 112.8° | 109.3° |
| NAJ | CAN | H16 | 109.8° | 109.6° |
| CAN | NAJ | H18 | 108.1° | 111.0° |
| NAJ | CAP | CAB | 109.4° | 109.5° |
| NAJ | CAP | CAC | 109.1° | 109.5° |
| NAJ | CAP | CAI | 112.3° | 109.3° |
| CAP | NAJ | H18 | 108.1° | 111.0° |
| CAB | CAP | CAC | 108.9° | 109.5° |
| CAB | CAP | CAI | 109.9° | 109.5° |
| CAP | CAB | H4 | 109.5° | 109.5° |
| CAP | CAB | H5 | 109.4° | 109.4° |
| CAP | CAB | H6 | 109.4° | 109.5° |
| CAN | CAO | CAM | 113.1° | 109.6° |
| CAN | CAO | OAK | 111.7° | 109.2° |
| CAO | CAN | H16 | 108.9° | 109.5° |
| CAN | CAO | H17 | 108.9° | 109.5° |
| CAC | CAP | CAI | 107.1° | 109.5° |
| CAP | CAC | H7 | 109.5° | 109.5° |
| CAP | CAC | H8 | 109.5° | 109.5° |
| CAP | CAC | H9 | 109.5° | 109.5° |
| CAP | CAI | OAK | 110.4° | 109.2° |
| CAP | CAI | H14 | 109.3° | 109.5° |
| CAP | CAI | H15 | 109.3° | 109.5° |
| CAM | CAO | OAK | 104.7° | 109.5° |
| CAO | CAM | CAG | 121.8° | 120.0° |
| CAO | CAM | CAH | 118.4° | 120.0° |
| CAM | CAO | H17 | 108.4° | 109.5° |
| CAO | OAK | CAI | 112.9° | 113.8° |
| OAK | CAO | H17 | 109.9° | 109.5° |
| OAK | CAI | H14 | 109.2° | 109.5° |
| OAK | CAI | H15 | 109.2° | 109.5° |
| CAG | CAM | CAH | 119.7° | 120.0° |
| CAM | CAG | CAE | 119.7° | 120.1° |
| CAM | CAG | H12 | 120.1° | 120.0° |
| CAM | CAH | CAL | 120.6° | 120.0° |
| CAM | CAH | H13 | 119.7° | 120.0° |
| CAG | CAE | CAF | 120.3° | 120.0° |
| CAG | CAE | H10 | 119.9° | 120.0° |
| CAE | CAG | H12 | 120.1° | 120.0° |
| CAH | CAL | CAF | 119.6° | 120.0° |
| CAH | CAL | CL1 | 119.6° | 120.0° |
| CAL | CAH | H13 | 119.7° | 120.0° |
| CAE | CAF | CAL | 120.0° | 120.0° |
| CAF | CAE | H10 | 119.9° | 120.0° |
| CAE | CAF | H11 | 120.0° | 120.0° |
| CAF | CAL | CL1 | 120.8° | 120.0° |
| CAL | CAF | H11 | 120.0° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.4° | 109.4° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H14 | CAI | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAN | NAJ | CAO | 120.9° | 119.9° |
| CAA | CAN | NAJ | H16 | 117.4° | 120.1° |
| CAA | CAN | NAJ | CAP | 166.9° | 178.5° |
| CAA | CAN | CAO | H16 | 118.6° | 120.0° |
| CAA | CAN | CAO | CAM | 75.1° | 63.3° |
| CAA | CAN | CAO | OAK | 167.1° | 176.8° |
| CAN | CAA | H1 | H2 | 120.0° | 119.9° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | CAO | H17 | 45.5° | 56.9° |
| CAA | CAN | NAJ | H18 | 72.4° | 57.7° |
| CAN | NAJ | CAP | H18 | 120.8° | 123.8° |
| CAN | NAJ | CAP | CAB | 73.4° | 61.4° |
| NAJ | CAN | CAO | H16 | 122.1° | 120.0° |
| CAN | NAJ | CAP | CAC | 167.5° | 178.5° |
| CAN | NAJ | CAP | CAI | 48.9° | 58.6° |
| NAJ | CAN | CAO | CAM | 165.6° | 176.8° |
| NAJ | CAN | CAO | OAK | 47.8° | 56.8° |
| NAJ | CAN | CAA | H1 | 180.0° | 59.8° |
| NAJ | CAN | CAA | H2 | 60.0° | 60.2° |
| NAJ | CAN | CAA | H3 | 60.0° | 179.8° |
| NAJ | CAN | CAO | H17 | 73.8° | 63.1° |
| NAJ | CAP | CAB | CAC | 119.2° | 120.1° |
| NAJ | CAP | CAB | CAI | 123.7° | 119.8° |
| CAP | NAJ | CAN | CAO | 45.9° | 58.6° |
| NAJ | CAP | CAC | CAI | 121.8° | 119.8° |
| NAJ | CAP | CAI | OAK | 53.6° | 56.9° |
| NAJ | CAP | CAB | H4 | 180.0° | 179.9° |
| NAJ | CAP | CAB | H5 | 60.0° | 59.9° |
| NAJ | CAP | CAB | H6 | 60.0° | 60.1° |
| NAJ | CAP | CAC | H7 | 180.0° | 60.1° |
| NAJ | CAP | CAC | H8 | 60.0° | 59.9° |
| NAJ | CAP | CAC | H9 | 60.0° | 179.9° |
| NAJ | CAP | CAI | H14 | 173.8° | 176.8° |
| NAJ | CAP | CAI | H15 | 66.5° | 63.1° |
| CAP | NAJ | CAN | H16 | 75.7° | 61.4° |
| CAB | CAP | CAC | CAI | 118.9° | 120.1° |
| CAB | CAP | CAI | OAK | 68.4° | 63.1° |
| CAP | CAB | H4 | H5 | 120.0° | 120.0° |
| CAP | CAB | H4 | H6 | 120.0° | 120.0° |
| CAP | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAP | CAC | H7 | 60.7° | 60.0° |
| CAB | CAP | CAC | H8 | 59.4° | 180.0° |
| CAB | CAP | CAC | H9 | 179.3° | 60.0° |
| CAB | CAP | CAI | H14 | 51.8° | 56.8° |
| CAB | CAP | CAI | H15 | 171.5° | 176.9° |
| CAB | CAP | NAJ | H18 | 47.4° | 62.5° |
| CAN | CAO | CAM | OAK | 121.8° | 119.8° |
| CAN | CAO | CAM | H17 | 120.9° | 120.1° |
| CAN | CAO | OAK | H17 | 121.0° | 119.9° |
| CAN | CAO | OAK | CAI | 54.8° | 58.6° |
| CAN | CAO | CAM | CAG | 87.1° | 95.0° |
| CAN | CAO | CAM | CAH | 94.6° | 85.4° |
| CAO | CAN | CAA | H1 | 57.2° | 60.1° |
| CAO | CAN | CAA | H2 | 62.9° | 180.0° |
| CAO | CAN | CAA | H3 | 177.2° | 60.0° |
| CAO | CAN | NAJ | H18 | 166.7° | 177.6° |
| CAC | CAP | CAI | OAK | 173.4° | 176.8° |
| CAC | CAP | CAB | H4 | 60.8° | 60.0° |
| CAC | CAP | CAB | H5 | 179.2° | 180.0° |
| CAC | CAP | CAB | H6 | 59.2° | 60.0° |
| CAP | CAC | H7 | H8 | 120.0° | 120.0° |
| CAP | CAC | H7 | H9 | 120.0° | 120.0° |
| CAP | CAC | H8 | H9 | 120.0° | 120.1° |
| CAC | CAP | CAI | H14 | 66.4° | 63.2° |
| CAC | CAP | CAI | H15 | 53.3° | 56.8° |
| CAC | CAP | NAJ | H18 | 71.7° | 57.7° |
| CAP | CAI | OAK | CAO | 57.5° | 58.7° |
| CAP | CAI | OAK | H14 | 120.2° | 119.9° |
| CAP | CAI | OAK | H15 | 120.2° | 120.0° |
| CAI | CAP | CAB | H4 | 56.3° | 60.1° |
| CAI | CAP | CAB | H5 | 63.7° | 59.9° |
| CAI | CAP | CAB | H6 | 176.3° | 179.9° |
| CAI | CAP | CAC | H7 | 58.2° | 179.9° |
| CAI | CAP | CAC | H8 | 178.2° | 59.9° |
| CAI | CAP | CAC | H9 | 61.8° | 60.1° |
| CAP | CAI | H14 | H15 | 119.6° | 120.1° |
| CAI | CAP | NAJ | H18 | 169.7° | 177.6° |
| CAM | CAO | OAK | H17 | 116.2° | 120.1° |
| CAM | CAO | OAK | CAI | 177.6° | 178.6° |
| CAO | CAM | CAG | CAH | 178.3° | 179.6° |
| CAO | CAM | CAG | CAE | 179.4° | 180.0° |
| CAO | CAM | CAH | CAL | 179.4° | 179.7° |
| CAO | CAM | CAG | H12 | 0.6° | 0.1° |
| CAO | CAM | CAH | H13 | 0.6° | 0.2° |
| CAM | CAO | CAN | H16 | 43.5° | 56.7° |
| OAK | CAO | CAM | CAG | 151.0° | 145.3° |
| OAK | CAO | CAM | CAH | 27.3° | 34.3° |
| CAO | OAK | CAI | H14 | 177.7° | 178.6° |
| CAO | OAK | CAI | H15 | 62.6° | 61.3° |
| OAK | CAO | CAN | H16 | 74.3° | 63.2° |
| OAK | CAI | H14 | H15 | 119.5° | 120.1° |
| CAI | OAK | CAO | H17 | 66.2° | 61.2° |
| CAM | CAG | CAE | H12 | 180.0° | 180.0° |
| CAG | CAM | CAH | CAL | 1.1° | 0.7° |
| CAM | CAG | CAE | CAF | 0.7° | 0.0° |
| CAM | CAG | CAE | H10 | 179.4° | 179.8° |
| CAG | CAM | CAH | H13 | 178.9° | 179.8° |
| CAG | CAM | CAO | H17 | 33.8° | 25.1° |
| CAH | CAM | CAG | CAE | 1.1° | 0.5° |
| CAM | CAH | CAL | H13 | 180.0° | 179.5° |
| CAM | CAH | CAL | CAF | 0.5° | 0.5° |
| CAM | CAH | CAL | CL1 | 179.6° | 180.0° |
| CAH | CAM | CAG | H12 | 178.9° | 179.5° |
| CAH | CAM | CAO | H17 | 144.5° | 154.4° |
| CAG | CAE | CAF | H10 | 180.0° | 179.8° |
| CAG | CAE | CAF | CAL | 0.1° | 0.2° |
| CAG | CAE | CAF | H11 | 179.9° | 179.8° |
| CAH | CAL | CAF | CAE | 0.0° | 0.0° |
| CAH | CAL | CAF | CL1 | 179.9° | 179.4° |
| CAH | CAL | CAF | H11 | 180.0° | 179.9° |
| CAE | CAF | CAL | H11 | 180.0° | 180.0° |
| CAE | CAF | CAL | CL1 | 180.0° | 179.5° |
| CAF | CAE | CAG | H12 | 179.3° | 180.0° |
| CAL | CAF | CAE | H10 | 179.9° | 180.0° |
| CAF | CAL | CAH | H13 | 179.5° | 180.0° |
| CL1 | CAL | CAF | H11 | 0.0° | 0.5° |
| CL1 | CAL | CAH | H13 | 0.5° | 0.6° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H16 | 61.7° | 179.9° |
| H2 | CAA | CAN | H16 | 178.3° | 60.0° |
| H3 | CAA | CAN | H16 | 58.3° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 119.9° |
| H10 | CAE | CAF | H11 | 0.1° | 0.0° |
| H10 | CAE | CAG | H12 | 0.6° | 0.3° |
| H16 | CAN | CAO | H17 | 164.1° | 176.9° |
| H16 | CAN | NAJ | H18 | 45.1° | 62.4° |
