FJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAQ | sing | 1.51Å | 1.48Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAQ | CAB | sing | 1.51Å | 1.47Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAR | CAC | sing | 1.51Å | 1.46Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAS | CAD | sing | 1.51Å | 1.49Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| OAE | PAT | doub | 1.48Å | 1.50Å | |
| PAT | OAF | sing | 1.61Å | 1.47Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| PAT | OAG | sing | 1.61Å | 1.49Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAK | CAH | sing | 1.51Å | 1.50Å | |
| CAH | CAQ | doub | 1.31Å | 1.33Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | CAI | sing | 1.51Å | 1.47Å | |
| CAI | CAR | doub | 1.31Å | 1.31Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | doub | 1.31Å | 1.33Å | |
| CAJ | CAM | sing | 1.51Å | 1.52Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAN | sing | 1.53Å | 1.53Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAO | CAL | sing | 1.53Å | 1.51Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | OAP | sing | 1.43Å | 1.41Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | CAR | sing | 1.51Å | 1.47Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | CAS | sing | 1.51Å | 1.49Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| OAP | PAT | sing | 1.61Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAA | HAA | 109.5° | 109.5° |
| CAQ | CAA | HAAA | 109.5° | 109.5° |
| CAQ | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAQ | CAB | 116.2° | 120.0° |
| CAA | CAQ | CAH | 122.9° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CAQ | CAB | HAB | 109.5° | 109.5° |
| CAQ | CAB | HABA | 109.5° | 109.4° |
| CAQ | CAB | HABB | 109.5° | 109.5° |
| CAB | CAQ | CAH | 120.9° | 120.0° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| CAR | CAC | HAC | 109.5° | 109.5° |
| CAR | CAC | HACA | 109.5° | 109.4° |
| CAR | CAC | HACB | 109.5° | 109.5° |
| CAC | CAR | CAI | 113.7° | 119.9° |
| CAC | CAR | CAN | 115.9° | 120.0° |
| HAC | CAC | HACA | 109.4° | 109.4° |
| HAC | CAC | HACB | 109.4° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.4° |
| CAS | CAD | HAD | 109.5° | 109.5° |
| CAS | CAD | HADA | 109.5° | 109.5° |
| CAS | CAD | HADB | 109.5° | 109.5° |
| CAD | CAS | CAJ | 120.3° | 120.0° |
| CAD | CAS | CAO | 118.8° | 120.0° |
| HAD | CAD | HADA | 109.4° | 109.5° |
| HAD | CAD | HADB | 109.5° | 109.4° |
| HADA | CAD | HADB | 109.4° | 109.4° |
| OAE | PAT | OAF | 114.0° | 109.5° |
| OAE | PAT | OAG | 117.3° | 109.5° |
| OAE | PAT | OAP | 103.8° | 109.5° |
| PAT | OAF | HOAF | 109.5° | 114.0° |
| OAF | PAT | OAG | 112.9° | 109.4° |
| OAF | PAT | OAP | 99.5° | 109.5° |
| PAT | OAG | HOAG | 109.5° | 114.1° |
| OAG | PAT | OAP | 107.0° | 109.5° |
| CAK | CAH | CAQ | 118.0° | 120.0° |
| CAK | CAH | HAH | 121.0° | 120.0° |
| CAH | CAK | CAN | 117.7° | 109.5° |
| CAH | CAK | HAK | 106.8° | 109.5° |
| CAH | CAK | HAKA | 106.8° | 109.5° |
| CAQ | CAH | HAH | 121.0° | 120.0° |
| CAL | CAI | CAR | 136.7° | 120.0° |
| CAL | CAI | HAI | 111.7° | 120.0° |
| CAI | CAL | CAO | 96.9° | 109.5° |
| CAI | CAL | HAL | 113.9° | 109.5° |
| CAI | CAL | HALA | 113.9° | 109.5° |
| CAR | CAI | HAI | 111.6° | 120.0° |
| CAI | CAR | CAN | 130.5° | 120.0° |
| CAS | CAJ | CAM | 125.1° | 120.0° |
| CAS | CAJ | HAJ | 117.5° | 120.0° |
| CAJ | CAS | CAO | 120.9° | 120.0° |
| CAM | CAJ | HAJ | 117.5° | 120.0° |
| CAJ | CAM | OAP | 116.2° | 109.5° |
| CAJ | CAM | HAM | 107.3° | 109.5° |
| CAJ | CAM | HAMA | 107.3° | 109.5° |
| CAN | CAK | HAK | 106.8° | 109.4° |
| CAN | CAK | HAKA | 106.8° | 109.4° |
| CAK | CAN | CAR | 104.2° | 109.5° |
| CAK | CAN | HAN | 111.3° | 109.5° |
| CAK | CAN | HANA | 111.3° | 109.5° |
| HAK | CAK | HAKA | 112.0° | 109.5° |
| CAO | CAL | HAL | 113.9° | 109.5° |
| CAO | CAL | HALA | 113.9° | 109.5° |
| CAL | CAO | CAS | 115.0° | 109.5° |
| CAL | CAO | HAO | 107.7° | 109.5° |
| CAL | CAO | HAOA | 107.6° | 109.4° |
| HAL | CAL | HALA | 104.7° | 109.4° |
| OAP | CAM | HAM | 107.3° | 109.5° |
| OAP | CAM | HAMA | 107.3° | 109.5° |
| CAM | OAP | PAT | 124.4° | 123.0° |
| HAM | CAM | HAMA | 111.6° | 109.4° |
| CAR | CAN | HAN | 111.3° | 109.5° |
| CAR | CAN | HANA | 111.3° | 109.4° |
| HAN | CAN | HANA | 107.6° | 109.5° |
| CAS | CAO | HAO | 107.6° | 109.5° |
| CAS | CAO | HAOA | 107.7° | 109.5° |
| HAO | CAO | HAOA | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAQ | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAQ | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAQ | CAB | CAH | 179.8° | 180.0° |
| CAA | CAQ | CAB | HAB | 180.0° | 5.0° |
| CAA | CAQ | CAB | HABA | 60.0° | 115.0° |
| CAA | CAQ | CAB | HABB | 60.0° | 125.1° |
| CAA | CAQ | CAH | CAK | 0.7° | 174.4° |
| CAA | CAQ | CAH | HAH | 179.3° | 5.5° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAQ | CAB | 180.0° | 120.0° |
| HAA | CAA | CAQ | CAH | 0.2° | 60.0° |
| HAAA | CAA | CAQ | CAB | 60.0° | 0.0° |
| HAAA | CAA | CAQ | CAH | 120.2° | 180.0° |
| HAAB | CAA | CAQ | CAB | 60.0° | 120.0° |
| HAAB | CAA | CAQ | CAH | 119.8° | 60.0° |
| CAQ | CAB | HAB | HABA | 120.0° | 120.0° |
| CAQ | CAB | HAB | HABB | 120.0° | 120.0° |
| CAQ | CAB | HABA | HABB | 120.0° | 119.9° |
| CAB | CAQ | CAH | CAK | 179.0° | 5.6° |
| CAB | CAQ | CAH | HAH | 1.0° | 174.5° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAQ | CAH | 0.2° | 174.9° |
| HABA | CAB | CAQ | CAH | 119.8° | 65.0° |
| HABB | CAB | CAQ | CAH | 120.2° | 54.9° |
| CAR | CAC | HAC | HACA | 120.0° | 120.0° |
| CAR | CAC | HAC | HACB | 120.0° | 120.1° |
| CAR | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CAR | CAI | CAL | 179.5° | 174.2° |
| CAC | CAR | CAI | CAN | 179.7° | 180.0° |
| CAC | CAR | CAI | HAI | 0.5° | 5.8° |
| CAC | CAR | CAN | CAK | 39.8° | 86.3° |
| CAC | CAR | CAN | HAN | 80.3° | 153.6° |
| CAC | CAR | CAN | HANA | 159.8° | 33.7° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CAR | CAI | 180.0° | 90.0° |
| HAC | CAC | CAR | CAN | 0.3° | 90.0° |
| HACA | CAC | CAR | CAI | 60.0° | 150.0° |
| HACA | CAC | CAR | CAN | 119.7° | 30.0° |
| HACB | CAC | CAR | CAI | 60.0° | 30.1° |
| HACB | CAC | CAR | CAN | 120.3° | 149.9° |
| CAS | CAD | HAD | HADA | 120.0° | 120.1° |
| CAS | CAD | HAD | HADB | 120.0° | 120.0° |
| CAS | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | CAS | CAJ | CAO | 178.5° | 180.0° |
| CAD | CAS | CAJ | CAM | 0.6° | 0.0° |
| CAD | CAS | CAJ | HAJ | 179.4° | 180.0° |
| CAD | CAS | CAO | CAL | 29.5° | 85.0° |
| CAD | CAS | CAO | HAO | 90.5° | 155.0° |
| CAD | CAS | CAO | HAOA | 149.5° | 35.0° |
| HAD | CAD | HADA | HADB | 120.0° | 120.0° |
| HAD | CAD | CAS | CAJ | 180.0° | 90.0° |
| HAD | CAD | CAS | CAO | 1.5° | 90.0° |
| HADA | CAD | CAS | CAJ | 60.0° | 30.1° |
| HADA | CAD | CAS | CAO | 118.5° | 150.0° |
| HADB | CAD | CAS | CAJ | 60.0° | 150.0° |
| HADB | CAD | CAS | CAO | 121.5° | 30.0° |
| OAE | PAT | OAF | OAG | 137.1° | 120.0° |
| OAE | PAT | OAF | OAP | 109.8° | 120.0° |
| OAE | PAT | OAF | HOAF | 0.0° | 180.0° |
| OAE | PAT | OAG | OAP | 115.9° | 120.0° |
| OAE | PAT | OAG | HOAG | 0.0° | 60.0° |
| OAE | PAT | OAP | CAM | 11.9° | 55.0° |
| OAF | PAT | OAG | OAP | 108.4° | 120.0° |
| OAF | PAT | OAG | HOAG | 135.6° | 60.0° |
| OAF | PAT | OAP | CAM | 105.8° | 65.0° |
| HOAF | OAF | PAT | OAG | 137.2° | 60.0° |
| HOAF | OAF | PAT | OAP | 109.7° | 60.0° |
| OAG | PAT | OAP | CAM | 136.6° | 175.0° |
| HOAG | OAG | PAT | OAP | 115.9° | 180.0° |
| CAK | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAH | CAK | CAN | HAK | 120.0° | 120.0° |
| CAH | CAK | CAN | HAKA | 120.0° | 120.0° |
| CAH | CAK | HAK | HAKA | 116.6° | 120.1° |
| CAH | CAK | CAN | CAR | 50.5° | 180.0° |
| CAH | CAK | CAN | HAN | 69.5° | 60.0° |
| CAH | CAK | CAN | HANA | 170.5° | 60.0° |
| CAQ | CAH | CAK | CAN | 131.8° | 125.2° |
| CAQ | CAH | CAK | HAK | 11.7° | 114.9° |
| CAQ | CAH | CAK | HAKA | 108.2° | 5.2° |
| HAH | CAH | CAK | CAN | 48.3° | 54.8° |
| HAH | CAH | CAK | HAK | 168.3° | 65.2° |
| HAH | CAH | CAK | HAKA | 71.7° | 174.8° |
| CAL | CAI | CAR | HAI | 180.0° | 180.0° |
| CAI | CAL | CAO | HAL | 120.0° | 120.0° |
| CAI | CAL | CAO | HALA | 120.0° | 120.0° |
| CAI | CAL | HAL | HALA | 125.0° | 119.9° |
| CAL | CAI | CAR | CAN | 0.2° | 5.8° |
| CAI | CAL | CAO | CAS | 114.2° | 180.0° |
| CAI | CAL | CAO | HAO | 125.8° | 60.0° |
| CAI | CAL | CAO | HAOA | 5.8° | 60.0° |
| CAI | CAR | CAN | CAK | 140.6° | 93.7° |
| CAR | CAI | CAL | CAO | 153.4° | 122.7° |
| CAR | CAI | CAL | HAL | 86.6° | 117.2° |
| CAR | CAI | CAL | HALA | 33.5° | 2.7° |
| CAI | CAR | CAN | HAN | 99.4° | 26.4° |
| CAI | CAR | CAN | HANA | 20.6° | 146.3° |
| HAI | CAI | CAL | CAO | 26.5° | 57.4° |
| HAI | CAI | CAL | HAL | 93.5° | 62.7° |
| HAI | CAI | CAL | HALA | 146.5° | 177.4° |
| HAI | CAI | CAR | CAN | 179.8° | 174.2° |
| CAS | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAJ | CAS | CAO | CAL | 152.0° | 95.0° |
| CAS | CAJ | CAM | OAP | 50.4° | 135.0° |
| CAS | CAJ | CAM | HAM | 69.6° | 105.0° |
| CAS | CAJ | CAM | HAMA | 170.4° | 15.0° |
| CAJ | CAS | CAO | HAO | 88.0° | 25.0° |
| CAJ | CAS | CAO | HAOA | 32.0° | 145.0° |
| CAJ | CAM | OAP | HAM | 120.0° | 120.0° |
| CAJ | CAM | OAP | HAMA | 120.0° | 120.0° |
| CAJ | CAM | HAM | HAMA | 117.3° | 120.0° |
| CAM | CAJ | CAS | CAO | 179.0° | NaN° |
| CAJ | CAM | OAP | PAT | 110.7° | 180.0° |
| HAJ | CAJ | CAM | OAP | 129.6° | 45.0° |
| HAJ | CAJ | CAM | HAM | 110.4° | 75.0° |
| HAJ | CAJ | CAM | HAMA | 9.6° | 165.1° |
| HAJ | CAJ | CAS | CAO | 1.0° | 0.1° |
| CAN | CAK | HAK | HAKA | 116.6° | 120.0° |
| CAK | CAN | CAR | HAN | 120.0° | 120.0° |
| CAK | CAN | CAR | HANA | 120.0° | 120.0° |
| CAK | CAN | HAN | HANA | 122.2° | 120.1° |
| HAK | CAK | CAN | CAR | 170.5° | 60.0° |
| HAK | CAK | CAN | HAN | 50.5° | 180.0° |
| HAK | CAK | CAN | HANA | 69.5° | 60.0° |
| HAKA | CAK | CAN | CAR | 69.5° | 60.0° |
| HAKA | CAK | CAN | HAN | 170.5° | 60.0° |
| HAKA | CAK | CAN | HANA | 50.5° | 180.0° |
| CAO | CAL | HAL | HALA | 125.0° | 120.0° |
| CAL | CAO | CAS | HAO | 120.0° | 120.0° |
| CAL | CAO | CAS | HAOA | 120.0° | 120.0° |
| CAL | CAO | HAO | HAOA | 117.7° | 119.9° |
| HAL | CAL | CAO | CAS | 5.8° | 59.9° |
| HAL | CAL | CAO | HAO | 114.2° | 180.0° |
| HAL | CAL | CAO | HAOA | 125.8° | 60.1° |
| HALA | CAL | CAO | CAS | 125.8° | 60.0° |
| HALA | CAL | CAO | HAO | 5.8° | 60.0° |
| HALA | CAL | CAO | HAOA | 114.2° | 180.0° |
| OAP | CAM | HAM | HAMA | 117.2° | 120.0° |
| HAM | CAM | OAP | PAT | 129.3° | 60.0° |
| HAMA | CAM | OAP | PAT | 9.3° | 60.0° |
| CAR | CAN | HAN | HANA | 122.1° | 119.9° |
| CAS | CAO | HAO | HAOA | 117.7° | 120.0° |
