H3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAP | sing | 1.36Å | 1.36Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAL | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CLAC | CAL | sing | 1.74Å | 1.72Å | |
| CAL | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAN | doub | 1.38Å | 1.36Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAN | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CLAE | sing | 1.74Å | 1.74Å | |
| CAT | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CLAG | sing | 1.74Å | 1.71Å | |
| CAT | CAK | sing | 1.51Å | 1.52Å | |
| CAK | CAU | sing | 1.51Å | 1.53Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAQ | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAU | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CLAH | sing | 1.74Å | 1.72Å | |
| CAJ | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CLAF | sing | 1.74Å | 1.73Å | |
| CAM | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CLAD | CAM | sing | 1.74Å | 1.72Å | |
| CAQ | CAM | sing | 1.39Å | 1.41Å | Aromatic |
| OAB | CAQ | sing | 1.36Å | 1.36Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAP | CAL | 119.2° | 120.1° |
| OAA | CAP | CAT | 119.0° | 120.0° |
| CAL | CAP | CAT | 121.8° | 119.9° |
| CAP | CAL | CLAC | 121.2° | 120.0° |
| CAP | CAL | CAI | 118.7° | 119.9° |
| CAP | CAT | CAR | 118.8° | 120.0° |
| CAP | CAT | CAK | 121.6° | 120.0° |
| CLAC | CAL | CAI | 120.1° | 120.1° |
| CAL | CAI | CAN | 120.3° | 120.1° |
| CAL | CAI | HAI | 119.9° | 120.0° |
| CAN | CAI | HAI | 119.9° | 119.9° |
| CAI | CAN | CAR | 120.6° | 120.1° |
| CAI | CAN | CLAE | 119.0° | 120.0° |
| CAR | CAN | CLAE | 120.2° | 119.9° |
| CAN | CAR | CAT | 119.9° | 120.0° |
| CAN | CAR | CLAG | 122.1° | 120.0° |
| CAT | CAR | CLAG | 117.8° | 120.0° |
| CAR | CAT | CAK | 119.6° | 120.0° |
| CAT | CAK | CAU | 108.8° | 109.5° |
| CAT | CAK | HAK | 109.7° | 109.5° |
| CAT | CAK | HAKA | 109.8° | 109.5° |
| CAU | CAK | HAK | 109.7° | 109.5° |
| CAU | CAK | HAKA | 109.9° | 109.4° |
| CAK | CAU | CAQ | 120.5° | 120.0° |
| CAK | CAU | CAS | 120.3° | 120.0° |
| HAK | CAK | HAKA | 109.0° | 109.5° |
| CAQ | CAU | CAS | 119.1° | 119.9° |
| CAU | CAQ | CAM | 121.0° | 119.9° |
| CAU | CAQ | OAB | 119.3° | 120.0° |
| CAU | CAS | CAO | 119.9° | 120.0° |
| CAU | CAS | CLAH | 119.3° | 120.0° |
| CAO | CAS | CLAH | 120.7° | 120.0° |
| CAS | CAO | CAJ | 120.7° | 120.1° |
| CAS | CAO | CLAF | 119.5° | 120.0° |
| CAJ | CAO | CLAF | 119.8° | 119.9° |
| CAO | CAJ | CAM | 119.8° | 120.0° |
| CAO | CAJ | HAJ | 120.1° | 120.0° |
| CAM | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAM | CLAD | 120.9° | 120.1° |
| CAJ | CAM | CAQ | 119.5° | 119.9° |
| CLAD | CAM | CAQ | 119.6° | 120.0° |
| CAM | CAQ | OAB | 119.6° | 120.0° |
| CAQ | OAB | HOAB | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAP | CAL | CAT | 178.9° | 179.8° |
| OAA | CAP | CAL | CLAC | 3.5° | 0.0° |
| OAA | CAP | CAL | CAI | 178.5° | 180.0° |
| OAA | CAP | CAT | CAR | 178.7° | 179.7° |
| OAA | CAP | CAT | CAK | 0.5° | 0.1° |
| HOAA | OAA | CAP | CAL | 74.1° | 83.7° |
| HOAA | OAA | CAP | CAT | 107.0° | 96.1° |
| CAP | CAL | CLAC | CAI | 178.0° | 179.9° |
| CAP | CAL | CAI | CAN | 0.2° | 0.0° |
| CAP | CAL | CAI | HAI | 179.8° | 180.0° |
| CAL | CAP | CAT | CAR | 0.2° | 0.5° |
| CAL | CAP | CAT | CAK | 178.4° | 179.7° |
| CAT | CAP | CAL | CLAC | 177.7° | 179.7° |
| CAT | CAP | CAL | CAI | 0.4° | 0.2° |
| CAP | CAT | CAR | CAN | 0.6° | 0.5° |
| CAP | CAT | CAR | CAK | 178.3° | 179.8° |
| CAP | CAT | CAR | CLAG | 174.0° | 179.8° |
| CAP | CAT | CAK | CAU | 60.5° | 82.8° |
| CAP | CAT | CAK | HAK | 59.5° | 37.3° |
| CAP | CAT | CAK | HAKA | 179.3° | 157.3° |
| CLAC | CAL | CAI | CAN | 178.3° | 179.9° |
| CLAC | CAL | CAI | HAI | 1.8° | 0.1° |
| CAL | CAI | CAN | HAI | 180.0° | 180.0° |
| CAL | CAI | CAN | CAR | 0.9° | 0.1° |
| CAL | CAI | CAN | CLAE | 173.6° | 180.0° |
| CAI | CAN | CAR | CLAE | 174.5° | 179.9° |
| CAI | CAN | CAR | CAT | 1.2° | 0.3° |
| CAI | CAN | CAR | CLAG | 173.2° | 180.0° |
| HAI | CAI | CAN | CAR | 179.1° | 179.9° |
| HAI | CAI | CAN | CLAE | 6.4° | 0.0° |
| CAN | CAR | CAT | CLAG | 174.6° | 179.7° |
| CAN | CAR | CAT | CAK | 177.7° | 179.7° |
| CLAE | CAN | CAR | CAT | 173.3° | 179.7° |
| CLAE | CAN | CAR | CLAG | 12.4° | 0.0° |
| CAR | CAT | CAK | CAU | 117.8° | 97.4° |
| CAR | CAT | CAK | HAK | 122.2° | 142.5° |
| CAR | CAT | CAK | HAKA | 2.5° | 22.5° |
| CLAG | CAR | CAT | CAK | 7.7° | 0.0° |
| CAT | CAK | CAU | HAK | 120.0° | 120.0° |
| CAT | CAK | CAU | HAKA | 120.3° | 120.0° |
| CAT | CAK | HAK | HAKA | 120.3° | 120.0° |
| CAT | CAK | CAU | CAQ | 102.8° | 83.4° |
| CAT | CAK | CAU | CAS | 75.1° | 96.8° |
| CAU | CAK | HAK | HAKA | 120.3° | 120.0° |
| CAK | CAU | CAQ | CAS | 177.9° | 179.8° |
| CAK | CAU | CAS | CAO | 176.8° | 180.0° |
| CAK | CAU | CAS | CLAH | 5.3° | 0.0° |
| CAK | CAU | CAQ | CAM | 176.3° | 179.8° |
| CAK | CAU | CAQ | OAB | 6.1° | 0.1° |
| HAK | CAK | CAU | CAQ | 17.2° | 156.6° |
| HAK | CAK | CAU | CAS | 164.9° | 23.2° |
| HAKA | CAK | CAU | CAQ | 136.9° | 36.6° |
| HAKA | CAK | CAU | CAS | 45.2° | 143.2° |
| CAQ | CAU | CAS | CAO | 1.1° | 0.2° |
| CAQ | CAU | CAS | CLAH | 176.8° | 179.8° |
| CAU | CAQ | CAM | CAJ | 0.7° | 0.5° |
| CAU | CAQ | CAM | CLAD | 178.5° | 179.8° |
| CAU | CAQ | CAM | OAB | 177.6° | 179.8° |
| CAU | CAQ | OAB | HOAB | 74.4° | 96.2° |
| CAU | CAS | CAO | CLAH | 177.9° | 180.0° |
| CAU | CAS | CAO | CAJ | 0.2° | 0.0° |
| CAU | CAS | CAO | CLAF | 178.6° | 180.0° |
| CAS | CAU | CAQ | CAM | 1.6° | 0.5° |
| CAS | CAU | CAQ | OAB | 176.0° | 179.7° |
| CAS | CAO | CAJ | CLAF | 178.8° | 180.0° |
| CAS | CAO | CAJ | CAM | 1.1° | 0.1° |
| CAS | CAO | CAJ | HAJ | 178.9° | 180.0° |
| CLAH | CAS | CAO | CAJ | 178.1° | 180.0° |
| CLAH | CAS | CAO | CLAF | 0.7° | 0.0° |
| CAO | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAO | CAJ | CAM | CLAD | 179.8° | 180.0° |
| CAO | CAJ | CAM | CAQ | 0.6° | 0.3° |
| CLAF | CAO | CAJ | CAM | 177.7° | 179.9° |
| CLAF | CAO | CAJ | HAJ | 2.3° | 0.0° |
| CAJ | CAM | CLAD | CAQ | 179.2° | 179.7° |
| CAJ | CAM | CAQ | OAB | 176.9° | 179.6° |
| HAJ | CAJ | CAM | CLAD | 0.2° | 0.1° |
| HAJ | CAJ | CAM | CAQ | 179.4° | 179.7° |
| CLAD | CAM | CAQ | OAB | 3.9° | 0.0° |
| CAM | CAQ | OAB | HOAB | 108.0° | 83.6° |
