28P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAP | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAP | CAO | sing | 1.51Å | 1.54Å | |
| CAO | CAN | sing | 1.51Å | 1.54Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAM | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAV | sing | 1.38Å | 1.37Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAK | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | CAK | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | OAJ | sing | 1.36Å | 1.34Å | |
| OAJ | CAI | sing | 1.43Å | 1.48Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAG | CAH | sing | 1.53Å | 1.56Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAG | N1 | sing | 1.47Å | 1.48Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAB | N1 | sing | 1.47Å | 1.48Å | |
| N1 | CAX | sing | 1.47Å | 1.47Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAXA | sing | 1.09Å | 1.10Å | |
| CAX | HAXB | sing | 1.09Å | 1.10Å | |
| CAC | CAB | sing | 1.53Å | 1.51Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAD | CAC | sing | 1.51Å | 1.55Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| OAF | CAD | doub | 1.21Å | 1.25Å | |
| OAE | CAD | sing | 1.34Å | 1.23Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAQ | CAP | 120.3° | 120.0° |
| CAR | CAQ | HAQ | 119.8° | 120.0° |
| CAQ | CAR | CAS | 120.2° | 120.0° |
| CAQ | CAR | HAR | 119.9° | 120.0° |
| CAP | CAQ | HAQ | 119.8° | 120.0° |
| CAQ | CAP | CAU | 119.8° | 120.0° |
| CAQ | CAP | CAO | 119.5° | 120.0° |
| CAS | CAR | HAR | 119.8° | 120.0° |
| CAR | CAS | CAT | 119.7° | 120.0° |
| CAR | CAS | HAS | 120.1° | 119.9° |
| CAT | CAS | HAS | 120.1° | 120.0° |
| CAS | CAT | CAU | 120.1° | 120.0° |
| CAS | CAT | HAT | 120.0° | 120.0° |
| CAU | CAT | HAT | 119.9° | 120.0° |
| CAT | CAU | CAP | 119.8° | 120.0° |
| CAT | CAU | HAU | 120.1° | 119.9° |
| CAP | CAU | HAU | 120.1° | 120.1° |
| CAU | CAP | CAO | 120.7° | 120.0° |
| CAP | CAO | CAN | 113.4° | 109.5° |
| CAP | CAO | HAO | 108.2° | 109.4° |
| CAP | CAO | HAOA | 107.3° | 109.5° |
| CAN | CAO | HAO | 108.2° | 109.5° |
| CAN | CAO | HAOA | 107.2° | 109.5° |
| CAO | CAN | CAM | 121.4° | 119.9° |
| CAO | CAN | CAV | 118.9° | 120.0° |
| HAO | CAO | HAOA | 112.6° | 109.5° |
| CAM | CAN | CAV | 119.7° | 120.1° |
| CAN | CAM | CAL | 120.5° | 120.0° |
| CAN | CAM | HAM | 119.7° | 120.0° |
| CAN | CAV | CAW | 121.0° | 120.1° |
| CAN | CAV | HAV | 119.5° | 120.0° |
| CAW | CAV | HAV | 119.5° | 119.9° |
| CAV | CAW | CAK | 119.1° | 119.9° |
| CAV | CAW | HAW | 120.4° | 120.0° |
| CAK | CAW | HAW | 120.4° | 120.0° |
| CAW | CAK | CAL | 120.3° | 119.9° |
| CAW | CAK | OAJ | 121.6° | 120.1° |
| CAL | CAM | HAM | 119.8° | 120.0° |
| CAM | CAL | CAK | 119.3° | 120.0° |
| CAM | CAL | HAL | 120.4° | 120.0° |
| CAK | CAL | HAL | 120.3° | 120.1° |
| CAL | CAK | OAJ | 118.0° | 120.1° |
| CAK | OAJ | CAI | 116.6° | 117.0° |
| OAJ | CAI | CAH | 105.2° | 109.5° |
| OAJ | CAI | HAI | 111.0° | 109.5° |
| OAJ | CAI | HAIA | 111.9° | 109.4° |
| CAH | CAI | HAI | 111.0° | 109.5° |
| CAH | CAI | HAIA | 111.9° | 109.5° |
| CAI | CAH | CAG | 114.4° | 109.5° |
| CAI | CAH | HAH | 107.9° | 109.5° |
| CAI | CAH | HAHA | 106.8° | 109.4° |
| HAI | CAI | HAIA | 106.1° | 109.5° |
| CAG | CAH | HAH | 107.8° | 109.5° |
| CAG | CAH | HAHA | 106.8° | 109.5° |
| CAH | CAG | N1 | 112.6° | 109.5° |
| CAH | CAG | HAG | 108.5° | 109.5° |
| CAH | CAG | HAGA | 107.7° | 109.5° |
| HAH | CAH | HAHA | 113.4° | 109.5° |
| N1 | CAG | HAG | 108.5° | 109.4° |
| N1 | CAG | HAGA | 107.8° | 109.4° |
| CAG | N1 | CAB | 111.2° | 111.0° |
| CAG | N1 | CAX | 115.0° | 111.0° |
| HAG | CAG | HAGA | 111.9° | 109.5° |
| CAB | N1 | CAX | 113.7° | 111.0° |
| N1 | CAB | CAC | 111.7° | 109.5° |
| N1 | CAB | HAB | 108.7° | 109.5° |
| N1 | CAB | HABA | 108.2° | 109.4° |
| N1 | CAX | HAX | 109.5° | 109.4° |
| N1 | CAX | HAXA | 109.5° | 109.5° |
| N1 | CAX | HAXB | 109.5° | 109.5° |
| HAX | CAX | HAXA | 109.5° | 109.5° |
| HAX | CAX | HAXB | 109.4° | 109.5° |
| HAXA | CAX | HAXB | 109.5° | 109.5° |
| CAC | CAB | HAB | 108.7° | 109.5° |
| CAC | CAB | HABA | 108.3° | 109.5° |
| CAB | CAC | CAD | 110.7° | 109.5° |
| CAB | CAC | HAC | 109.1° | 109.5° |
| CAB | CAC | HACA | 108.8° | 109.5° |
| HAB | CAB | HABA | 111.2° | 109.5° |
| CAD | CAC | HAC | 109.1° | 109.4° |
| CAD | CAC | HACA | 108.8° | 109.5° |
| CAC | CAD | OAF | 121.5° | 120.0° |
| CAC | CAD | OAE | 118.2° | 120.0° |
| HAC | CAC | HACA | 110.4° | 109.5° |
| OAF | CAD | OAE | 120.4° | 120.0° |
| CAD | OAE | HOAE | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAQ | CAP | HAQ | 180.0° | 179.8° |
| CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.3° | 0.1° |
| CAQ | CAR | CAS | HAS | 179.7° | 180.0° |
| CAR | CAQ | CAP | CAU | 1.4° | 0.1° |
| CAR | CAQ | CAP | CAO | 179.2° | 179.8° |
| CAP | CAQ | CAR | CAS | 0.6° | 0.1° |
| CAP | CAQ | CAR | HAR | 179.4° | 180.0° |
| CAQ | CAP | CAU | CAT | 1.2° | 0.1° |
| CAQ | CAP | CAU | CAO | 177.8° | 179.7° |
| CAQ | CAP | CAU | HAU | 178.8° | 180.0° |
| CAQ | CAP | CAO | CAN | 103.0° | 90.0° |
| CAQ | CAP | CAO | HAO | 17.0° | 150.0° |
| CAQ | CAP | CAO | HAOA | 138.8° | 30.0° |
| HAQ | CAQ | CAR | CAS | 179.3° | 179.7° |
| HAQ | CAQ | CAR | HAR | 0.7° | 0.3° |
| HAQ | CAQ | CAP | CAU | 178.6° | 179.7° |
| HAQ | CAQ | CAP | CAO | 0.8° | 0.0° |
| CAR | CAS | CAT | HAS | 180.0° | 179.9° |
| CAR | CAS | CAT | CAU | 0.5° | 0.1° |
| CAR | CAS | CAT | HAT | 179.5° | 179.9° |
| HAR | CAR | CAS | CAT | 179.7° | 180.0° |
| HAR | CAR | CAS | HAS | 0.3° | 0.0° |
| CAS | CAT | CAU | HAT | 180.0° | 180.0° |
| CAS | CAT | CAU | CAP | 0.2° | 0.1° |
| CAS | CAT | CAU | HAU | 179.8° | 180.0° |
| HAS | CAS | CAT | CAU | 179.5° | 180.0° |
| HAS | CAS | CAT | HAT | 0.5° | 0.0° |
| CAT | CAU | CAP | HAU | 180.0° | 179.9° |
| CAT | CAU | CAP | CAO | 178.9° | 179.8° |
| HAT | CAT | CAU | CAP | 179.8° | 179.9° |
| HAT | CAT | CAU | HAU | 0.2° | 0.0° |
| CAU | CAP | CAO | CAN | 79.2° | 90.3° |
| CAU | CAP | CAO | HAO | 160.7° | 29.7° |
| CAU | CAP | CAO | HAOA | 39.0° | 149.6° |
| HAU | CAU | CAP | CAO | 1.1° | 0.3° |
| CAP | CAO | CAN | HAO | 120.0° | 120.0° |
| CAP | CAO | CAN | HAOA | 118.3° | 120.0° |
| CAP | CAO | HAO | HAOA | 118.4° | 120.0° |
| CAP | CAO | CAN | CAM | 75.8° | 90.3° |
| CAP | CAO | CAN | CAV | 105.9° | 90.0° |
| CAN | CAO | HAO | HAOA | 118.3° | 120.1° |
| CAO | CAN | CAM | CAV | 178.3° | 179.7° |
| CAO | CAN | CAV | CAW | 179.5° | 180.0° |
| CAO | CAN | CAV | HAV | 0.5° | 0.1° |
| CAO | CAN | CAM | CAL | 179.6° | 179.9° |
| CAO | CAN | CAM | HAM | 0.4° | 0.0° |
| HAO | CAO | CAN | CAM | 44.2° | 149.7° |
| HAO | CAO | CAN | CAV | 134.1° | 29.9° |
| HAOA | CAO | CAN | CAM | 166.0° | 29.7° |
| HAOA | CAO | CAN | CAV | 12.4° | 149.9° |
| CAM | CAN | CAV | CAW | 1.2° | 0.3° |
| CAM | CAN | CAV | HAV | 178.8° | 179.7° |
| CAN | CAM | CAL | HAM | 180.0° | 179.9° |
| CAN | CAM | CAL | CAK | 1.0° | 0.1° |
| CAN | CAM | CAL | HAL | 179.0° | 180.0° |
| CAN | CAV | CAW | HAV | 180.0° | 180.0° |
| CAN | CAV | CAW | CAK | 0.8° | 0.1° |
| CAN | CAV | CAW | HAW | 179.2° | 180.0° |
| CAV | CAN | CAM | CAL | 1.3° | 0.3° |
| CAV | CAN | CAM | HAM | 178.7° | 179.7° |
| CAV | CAW | CAK | HAW | 180.0° | 180.0° |
| CAV | CAW | CAK | CAL | 0.5° | 0.3° |
| CAV | CAW | CAK | OAJ | 179.4° | 179.9° |
| HAV | CAV | CAW | CAK | 179.2° | 180.0° |
| HAV | CAV | CAW | HAW | 0.8° | 0.0° |
| CAW | CAK | CAL | CAM | 0.6° | 0.4° |
| CAW | CAK | CAL | OAJ | 179.9° | 179.6° |
| CAW | CAK | CAL | HAL | 179.4° | 179.7° |
| CAW | CAK | OAJ | CAI | 2.0° | 0.4° |
| HAW | CAW | CAK | CAL | 179.5° | 179.7° |
| HAW | CAW | CAK | OAJ | 0.6° | 0.1° |
| CAM | CAL | CAK | HAL | 180.0° | 179.9° |
| CAM | CAL | CAK | OAJ | 179.3° | 180.0° |
| HAM | CAM | CAL | CAK | 179.0° | 180.0° |
| HAM | CAM | CAL | HAL | 1.0° | 0.1° |
| CAL | CAK | OAJ | CAI | 178.0° | 180.0° |
| HAL | CAL | CAK | OAJ | 0.7° | 0.1° |
| CAK | OAJ | CAI | CAH | 163.2° | 180.0° |
| CAK | OAJ | CAI | HAI | 76.8° | 59.9° |
| CAK | OAJ | CAI | HAIA | 41.6° | 60.0° |
| OAJ | CAI | CAH | HAI | 120.0° | 120.0° |
| OAJ | CAI | CAH | HAIA | 121.6° | 120.0° |
| OAJ | CAI | HAI | HAIA | 121.7° | 120.0° |
| OAJ | CAI | CAH | CAG | 42.4° | 180.0° |
| OAJ | CAI | CAH | HAH | 77.6° | 60.0° |
| OAJ | CAI | CAH | HAHA | 160.2° | 60.0° |
| CAH | CAI | HAI | HAIA | 121.7° | 120.0° |
| CAI | CAH | CAG | HAH | 120.0° | 120.0° |
| CAI | CAH | CAG | HAHA | 117.8° | 120.0° |
| CAI | CAH | HAH | HAHA | 118.0° | 120.0° |
| CAI | CAH | CAG | N1 | 148.6° | 180.0° |
| CAI | CAH | CAG | HAG | 28.6° | 60.0° |
| CAI | CAH | CAG | HAGA | 92.7° | 60.0° |
| HAI | CAI | CAH | CAG | 162.4° | 60.0° |
| HAI | CAI | CAH | HAH | 42.4° | 180.0° |
| HAI | CAI | CAH | HAHA | 79.8° | 60.0° |
| HAIA | CAI | CAH | CAG | 79.3° | 60.0° |
| HAIA | CAI | CAH | HAH | 160.7° | 60.0° |
| HAIA | CAI | CAH | HAHA | 38.5° | 180.0° |
| CAG | CAH | HAH | HAHA | 118.0° | 120.0° |
| CAH | CAG | N1 | HAG | 120.0° | 120.1° |
| CAH | CAG | N1 | HAGA | 118.7° | 120.0° |
| CAH | CAG | HAG | HAGA | 118.7° | 120.1° |
| CAH | CAG | N1 | CAB | 173.8° | 170.0° |
| CAH | CAG | N1 | CAX | 55.2° | 66.0° |
| HAH | CAH | CAG | N1 | 91.3° | 60.0° |
| HAH | CAH | CAG | HAG | 148.7° | 180.0° |
| HAH | CAH | CAG | HAGA | 27.3° | 60.0° |
| HAHA | CAH | CAG | N1 | 30.8° | 60.0° |
| HAHA | CAH | CAG | HAG | 89.2° | 59.9° |
| HAHA | CAH | CAG | HAGA | 149.5° | NaN° |
| N1 | CAG | HAG | HAGA | 118.7° | 119.9° |
| CAG | N1 | CAB | CAX | 131.7° | 124.0° |
| CAG | N1 | CAX | HAX | 114.0° | 60.0° |
| CAG | N1 | CAX | HAXA | 6.0° | 179.9° |
| CAG | N1 | CAX | HAXB | 126.0° | 60.0° |
| CAG | N1 | CAB | CAC | 97.9° | 170.0° |
| CAG | N1 | CAB | HAB | 142.1° | 50.0° |
| CAG | N1 | CAB | HABA | 21.2° | 70.0° |
| HAG | CAG | N1 | CAB | 53.8° | 50.0° |
| HAG | CAG | N1 | CAX | 175.2° | 173.9° |
| HAGA | CAG | N1 | CAB | 67.5° | 70.0° |
| HAGA | CAG | N1 | CAX | 63.4° | 54.0° |
| CAB | N1 | CAX | HAX | 15.7° | 176.0° |
| CAB | N1 | CAX | HAXA | 135.7° | 56.1° |
| CAB | N1 | CAX | HAXB | 104.2° | 63.9° |
| N1 | CAB | CAC | HAB | 120.0° | 120.0° |
| N1 | CAB | CAC | HABA | 119.1° | 120.0° |
| N1 | CAB | HAB | HABA | 119.1° | 120.0° |
| N1 | CAB | CAC | CAD | 179.9° | 180.0° |
| N1 | CAB | CAC | HAC | 60.1° | 60.0° |
| N1 | CAB | CAC | HACA | 60.4° | 60.0° |
| N1 | CAX | HAX | HAXA | 120.0° | 119.9° |
| N1 | CAX | HAX | HAXB | 120.0° | 120.0° |
| N1 | CAX | HAXA | HAXB | 120.0° | 120.0° |
| CAX | N1 | CAB | CAC | 33.8° | 66.0° |
| CAX | N1 | CAB | HAB | 86.2° | 173.9° |
| CAX | N1 | CAB | HABA | 152.9° | 53.9° |
| HAX | CAX | HAXA | HAXB | 120.0° | 120.1° |
| CAC | CAB | HAB | HABA | 119.1° | 120.0° |
| CAB | CAC | CAD | HAC | 120.0° | 120.0° |
| CAB | CAC | CAD | HACA | 119.5° | 120.0° |
| CAB | CAC | HAC | HACA | 119.5° | 120.0° |
| CAB | CAC | CAD | OAF | 40.6° | 0.0° |
| CAB | CAC | CAD | OAE | 140.0° | 180.0° |
| HAB | CAB | CAC | CAD | 59.9° | 60.0° |
| HAB | CAB | CAC | HAC | 179.9° | 180.0° |
| HAB | CAB | CAC | HACA | 59.6° | 60.0° |
| HABA | CAB | CAC | CAD | 61.1° | 60.0° |
| HABA | CAB | CAC | HAC | 58.9° | 59.9° |
| HABA | CAB | CAC | HACA | 179.4° | 179.9° |
| CAD | CAC | HAC | HACA | 119.5° | 120.0° |
| CAC | CAD | OAF | OAE | 179.4° | 180.0° |
| CAC | CAD | OAE | HOAE | 179.4° | 180.0° |
| HAC | CAC | CAD | OAF | 79.4° | 120.0° |
| HAC | CAC | CAD | OAE | 100.0° | 60.0° |
| HACA | CAC | CAD | OAF | 160.1° | 120.0° |
| HACA | CAC | CAD | OAE | 20.5° | 60.0° |
| OAF | CAD | OAE | HOAE | 0.0° | 0.0° |
