X55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | CAA | sing | 1.43Å | 1.44Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAP | doub | 1.21Å | 1.23Å | |
| CAR | OAC | sing | 1.36Å | 1.36Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| BRAD | CAS | sing | 1.89Å | 1.90Å | |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAQ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAU | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAP | CAL | sing | 1.52Å | 1.53Å | |
| CAL | SAO | sing | 1.84Å | 1.81Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | NAW | sing | 1.46Å | 1.48Å | |
| CAM | CAQ | sing | 1.51Å | 1.53Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAT | OAN | sing | 1.36Å | 1.37Å | |
| CAV | SAO | sing | 1.84Å | 1.82Å | |
| NAW | CAP | sing | 1.33Å | 1.35Å | |
| CAR | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.51Å | 1.54Å | |
| NAW | CAV | sing | 1.47Å | 1.48Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | CAA | HAA | 109.5° | 109.5° |
| OAN | CAA | HAAA | 109.5° | 109.4° |
| OAN | CAA | HAAB | 109.5° | 109.5° |
| CAA | OAN | CAT | 114.3° | 117.0° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAP | CAL | 120.0° | 121.9° |
| OAB | CAP | NAW | 122.5° | 121.9° |
| CAR | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAR | CAJ | 120.0° | 120.1° |
| OAC | CAR | CAT | 119.4° | 120.0° |
| BRAD | CAS | CAJ | 119.2° | 119.9° |
| BRAD | CAS | CAU | 121.5° | 119.9° |
| CAG | CAE | CAF | 120.2° | 120.0° |
| CAG | CAE | HAE | 119.9° | 120.0° |
| CAE | CAG | CAI | 119.6° | 120.0° |
| CAE | CAG | HAG | 120.2° | 120.0° |
| CAF | CAE | HAE | 119.9° | 120.0° |
| CAE | CAF | CAH | 120.2° | 120.0° |
| CAE | CAF | HAF | 119.9° | 120.0° |
| CAH | CAF | HAF | 119.9° | 120.0° |
| CAF | CAH | CAQ | 119.6° | 120.0° |
| CAF | CAH | HAH | 120.2° | 120.0° |
| CAI | CAG | HAG | 120.2° | 120.0° |
| CAG | CAI | CAQ | 120.2° | 120.0° |
| CAG | CAI | HAI | 119.9° | 120.0° |
| CAQ | CAH | HAH | 120.2° | 120.0° |
| CAH | CAQ | CAI | 120.2° | 120.0° |
| CAH | CAQ | CAM | 121.3° | 120.0° |
| CAQ | CAI | HAI | 119.9° | 120.0° |
| CAI | CAQ | CAM | 118.5° | 120.0° |
| CAS | CAJ | CAR | 120.4° | 119.9° |
| CAS | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAS | CAU | 119.3° | 120.2° |
| CAR | CAJ | HAJ | 119.8° | 120.1° |
| CAJ | CAR | CAT | 120.5° | 119.9° |
| CAU | CAK | CAT | 120.3° | 120.0° |
| CAU | CAK | HAK | 119.9° | 120.0° |
| CAK | CAU | CAS | 120.2° | 120.1° |
| CAK | CAU | CAV | 120.0° | 119.9° |
| CAT | CAK | HAK | 119.9° | 120.0° |
| CAK | CAT | OAN | 121.9° | 120.1° |
| CAK | CAT | CAR | 119.3° | 119.8° |
| CAP | CAL | SAO | 103.0° | 102.3° |
| CAP | CAL | HAL | 111.7° | 110.9° |
| CAP | CAL | HALA | 111.7° | 111.0° |
| CAL | CAP | NAW | 117.5° | 116.3° |
| SAO | CAL | HAL | 111.7° | 110.8° |
| SAO | CAL | HALA | 111.7° | 110.9° |
| CAL | SAO | CAV | 96.8° | 94.1° |
| HAL | CAL | HALA | 107.2° | 110.7° |
| NAW | CAM | CAQ | 114.7° | 109.5° |
| NAW | CAM | HAM | 107.7° | 109.5° |
| NAW | CAM | HAMA | 107.7° | 109.5° |
| CAM | NAW | CAP | 121.8° | 121.0° |
| CAM | NAW | CAV | 121.5° | 121.0° |
| CAQ | CAM | HAM | 107.8° | 109.4° |
| CAQ | CAM | HAMA | 107.8° | 109.4° |
| HAM | CAM | HAMA | 111.1° | 109.5° |
| OAN | CAT | CAR | 118.8° | 120.1° |
| SAO | CAV | CAU | 109.3° | 110.7° |
| SAO | CAV | NAW | 104.7° | 103.1° |
| SAO | CAV | HAV | 114.0° | 110.7° |
| CAP | NAW | CAV | 116.1° | 118.0° |
| CAS | CAU | CAV | 119.7° | 119.9° |
| CAU | CAV | NAW | 113.1° | 110.7° |
| CAU | CAV | HAV | 105.7° | 110.6° |
| NAW | CAV | HAV | 110.3° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | CAA | HAA | HAAA | 120.0° | 119.9° |
| OAN | CAA | HAA | HAAB | 120.0° | 120.1° |
| OAN | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | OAN | CAT | CAK | 43.9° | 3.8° |
| CAA | OAN | CAT | CAR | 136.8° | 176.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | OAN | CAT | 180.0° | 64.6° |
| HAAA | CAA | OAN | CAT | 60.0° | 175.4° |
| HAAB | CAA | OAN | CAT | 60.0° | 55.4° |
| OAB | CAP | CAL | NAW | 178.2° | 180.0° |
| OAB | CAP | CAL | SAO | 172.8° | 163.9° |
| OAB | CAP | CAL | HAL | 52.8° | 77.9° |
| OAB | CAP | CAL | HALA | 67.2° | 45.6° |
| OAB | CAP | NAW | CAM | 5.6° | 0.3° |
| OAB | CAP | NAW | CAV | 177.0° | 179.6° |
| OAC | CAR | CAJ | CAS | 180.0° | 179.7° |
| OAC | CAR | CAJ | CAT | 179.8° | 180.0° |
| OAC | CAR | CAJ | HAJ | 0.0° | 0.1° |
| OAC | CAR | CAT | CAK | 179.7° | 180.0° |
| OAC | CAR | CAT | OAN | 0.3° | 0.5° |
| HOAC | OAC | CAR | CAJ | 180.0° | 90.0° |
| HOAC | OAC | CAR | CAT | 0.2° | 90.0° |
| BRAD | CAS | CAJ | CAU | 179.8° | 180.0° |
| BRAD | CAS | CAJ | CAR | 179.6° | 180.0° |
| BRAD | CAS | CAJ | HAJ | 0.4° | 0.3° |
| BRAD | CAS | CAU | CAK | 180.0° | 179.5° |
| BRAD | CAS | CAU | CAV | 1.0° | 0.0° |
| CAG | CAE | CAF | HAE | 180.0° | 179.8° |
| CAG | CAE | CAF | CAH | 0.3° | 0.3° |
| CAG | CAE | CAF | HAF | 179.7° | 179.7° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAQ | 0.6° | 0.4° |
| CAE | CAG | CAI | HAI | 179.4° | 179.9° |
| CAE | CAF | CAH | HAF | 180.0° | 180.0° |
| CAF | CAE | CAG | CAI | 0.3° | 0.1° |
| CAF | CAE | CAG | HAG | 179.7° | 180.0° |
| CAE | CAF | CAH | CAQ | 0.5° | 0.0° |
| CAE | CAF | CAH | HAH | 179.4° | 180.0° |
| HAE | CAE | CAF | CAH | 179.7° | 179.9° |
| HAE | CAE | CAF | HAF | 0.3° | 0.1° |
| HAE | CAE | CAG | CAI | 179.7° | 179.9° |
| HAE | CAE | CAG | HAG | 0.3° | 0.2° |
| CAF | CAH | CAQ | HAH | 180.0° | 179.9° |
| CAF | CAH | CAQ | CAI | 0.8° | 0.6° |
| CAF | CAH | CAQ | CAM | 179.5° | 179.8° |
| HAF | CAF | CAH | CAQ | 179.4° | 180.0° |
| HAF | CAF | CAH | HAH | 0.6° | 0.1° |
| CAG | CAI | CAQ | CAH | 0.8° | 0.8° |
| CAG | CAI | CAQ | HAI | 180.0° | 179.5° |
| CAG | CAI | CAQ | CAM | 179.6° | 180.0° |
| HAG | CAG | CAI | CAQ | 179.4° | 179.5° |
| HAG | CAG | CAI | HAI | 0.6° | 0.1° |
| CAH | CAQ | CAI | CAM | 178.8° | 179.2° |
| CAH | CAQ | CAI | HAI | 179.1° | 179.7° |
| CAH | CAQ | CAM | NAW | 51.6° | 83.5° |
| CAH | CAQ | CAM | HAM | 171.6° | 36.5° |
| CAH | CAQ | CAM | HAMA | 68.4° | 156.5° |
| HAH | CAH | CAQ | CAI | 179.2° | 179.5° |
| HAH | CAH | CAQ | CAM | 0.5° | 0.3° |
| CAI | CAQ | CAM | NAW | 129.6° | 97.3° |
| CAI | CAQ | CAM | HAM | 9.6° | 142.7° |
| CAI | CAQ | CAM | HAMA | 110.4° | 22.7° |
| HAI | CAI | CAQ | CAM | 0.4° | 0.5° |
| CAS | CAJ | CAR | HAJ | 180.0° | 179.7° |
| CAJ | CAS | CAU | CAK | 0.2° | 0.4° |
| CAS | CAJ | CAR | CAT | 0.2° | 0.3° |
| CAJ | CAS | CAU | CAV | 179.2° | 180.0° |
| CAJ | CAR | CAT | CAK | 0.1° | 0.0° |
| CAJ | CAR | CAT | OAN | 179.5° | 179.5° |
| CAR | CAJ | CAS | CAU | 0.1° | 0.1° |
| HAJ | CAJ | CAR | CAT | 179.8° | 179.9° |
| HAJ | CAJ | CAS | CAU | 179.9° | 179.7° |
| CAU | CAK | CAT | HAK | 180.0° | 179.6° |
| CAU | CAK | CAT | OAN | 179.9° | 180.0° |
| CAK | CAU | CAV | SAO | 43.1° | 38.0° |
| CAU | CAK | CAT | CAR | 0.5° | 0.5° |
| CAK | CAU | CAS | CAV | 179.0° | 179.5° |
| CAK | CAU | CAV | NAW | 73.0° | 75.7° |
| CAK | CAU | CAV | HAV | 166.2° | 161.0° |
| CAK | CAT | OAN | CAR | 179.4° | 179.5° |
| CAT | CAK | CAU | CAS | 0.6° | 0.7° |
| CAT | CAK | CAU | CAV | 179.5° | 179.8° |
| HAK | CAK | CAT | OAN | 0.2° | 0.5° |
| HAK | CAK | CAT | CAR | 179.5° | 179.9° |
| HAK | CAK | CAU | CAS | 179.5° | 179.7° |
| HAK | CAK | CAU | CAV | 0.5° | 0.2° |
| CAP | CAL | SAO | HAL | 120.0° | 118.2° |
| CAP | CAL | SAO | HALA | 120.0° | 118.4° |
| CAP | CAL | HAL | HALA | 122.7° | 123.6° |
| CAL | CAP | NAW | CAM | 176.3° | 179.7° |
| CAP | CAL | SAO | CAV | 10.7° | 21.5° |
| CAL | CAP | NAW | CAV | 4.9° | 0.4° |
| SAO | CAL | HAL | HALA | 122.6° | 123.5° |
| SAO | CAL | CAP | NAW | 5.3° | 16.1° |
| CAL | SAO | CAV | CAU | 134.7° | 140.3° |
| CAL | SAO | CAV | NAW | 13.3° | 21.9° |
| CAL | SAO | CAV | HAV | 107.3° | 96.7° |
| HAL | CAL | SAO | CAV | 130.7° | 96.7° |
| HAL | CAL | CAP | NAW | 125.3° | 102.1° |
| HALA | CAL | SAO | CAV | 109.3° | 139.9° |
| HALA | CAL | CAP | NAW | 114.7° | 134.5° |
| NAW | CAM | CAQ | HAM | 120.0° | 120.0° |
| NAW | CAM | CAQ | HAMA | 120.0° | 120.0° |
| NAW | CAM | HAM | HAMA | 117.8° | 120.1° |
| CAM | NAW | CAV | SAO | 176.2° | 163.3° |
| CAM | NAW | CAP | CAV | 171.3° | 179.9° |
| CAM | NAW | CAV | CAU | 57.3° | 44.9° |
| CAM | NAW | CAV | HAV | 60.8° | 78.2° |
| CAQ | CAM | HAM | HAMA | 117.9° | 120.0° |
| CAQ | CAM | NAW | CAP | 97.1° | 83.5° |
| CAQ | CAM | NAW | CAV | 92.0° | 96.6° |
| HAM | CAM | NAW | CAP | 142.9° | 36.5° |
| HAM | CAM | NAW | CAV | 28.0° | 143.5° |
| HAMA | CAM | NAW | CAP | 22.9° | 156.5° |
| HAMA | CAM | NAW | CAV | 148.0° | 23.4° |
| SAO | CAV | NAW | CAP | 12.4° | 16.8° |
| SAO | CAV | CAU | CAS | 135.9° | 141.5° |
| SAO | CAV | CAU | NAW | 116.2° | 113.7° |
| SAO | CAV | CAU | HAV | 123.1° | 123.0° |
| SAO | CAV | NAW | HAV | 123.0° | 118.5° |
| CAP | NAW | CAV | CAU | 131.3° | 135.1° |
| CAP | NAW | CAV | HAV | 110.6° | 101.7° |
| CAS | CAU | CAV | NAW | 108.0° | 104.8° |
| CAS | CAU | CAV | HAV | 12.8° | 18.5° |
| CAU | CAV | NAW | HAV | 118.1° | 123.1° |
