D02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAA | sing | 1.45Å | 1.40Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAB | SAW | sing | 1.66Å | 1.66Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| OAC | CAN | doub | 1.21Å | 1.23Å | |
| SAW | OAD | doub | 1.42Å | 1.48Å | |
| OAE | SAW | doub | 1.42Å | 1.46Å | |
| FAF | CAP | sing | 1.35Å | 1.34Å | |
| FAG | CAQ | sing | 1.35Å | 1.28Å | |
| CAR | FAH | sing | 1.35Å | 1.33Å | |
| CAS | FAI | sing | 1.35Å | 1.30Å | |
| CAO | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
| CAJ | NAV | sing | 1.35Å | 1.32Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAO | NAK | sing | 1.34Å | 1.38Å | Aromatic |
| NAK | NAL | doub | 1.29Å | 1.36Å | Aromatic |
| NAV | NAL | sing | 1.40Å | 1.39Å | Aromatic |
| OAM | CAN | sing | 1.35Å | 1.39Å | |
| CAN | CAO | sing | 1.47Å | 1.52Å | |
| CAT | CAP | doub | 1.39Å | 1.37Å | Aromatic |
| CAP | CAR | sing | 1.39Å | 1.36Å | Aromatic |
| CAT | CAQ | sing | 1.39Å | 1.37Å | Aromatic |
| CAQ | CAS | doub | 1.39Å | 1.34Å | Aromatic |
| CAR | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| NAV | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | SAW | sing | 1.76Å | 1.81Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAM | CAA | HAA | 109.5° | 109.5° |
| OAM | CAA | HAAA | 109.4° | 109.5° |
| OAM | CAA | HAAB | 109.5° | 109.5° |
| CAA | OAM | CAN | 122.9° | 117.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| SAW | NAB | HNAB | 109.5° | 120.0° |
| SAW | NAB | HNAA | 109.5° | 120.0° |
| NAB | SAW | OAD | 113.3° | 106.4° |
| NAB | SAW | OAE | 111.7° | 106.4° |
| NAB | SAW | CAU | 107.5° | 107.3° |
| HNAB | NAB | HNAA | 109.5° | 120.0° |
| OAC | CAN | OAM | 119.2° | 120.0° |
| OAC | CAN | CAO | 117.3° | 120.1° |
| OAD | SAW | OAE | 114.8° | 123.1° |
| OAD | SAW | CAU | 102.8° | 106.4° |
| OAE | SAW | CAU | 105.8° | 106.4° |
| FAF | CAP | CAT | 119.5° | 120.0° |
| FAF | CAP | CAR | 121.9° | 120.0° |
| FAG | CAQ | CAT | 118.2° | 120.0° |
| FAG | CAQ | CAS | 121.3° | 120.1° |
| FAH | CAR | CAP | 119.1° | 120.0° |
| FAH | CAR | CAU | 118.7° | 120.0° |
| FAI | CAS | CAQ | 118.1° | 119.9° |
| FAI | CAS | CAU | 120.5° | 120.0° |
| CAO | CAJ | NAV | 106.7° | 106.7° |
| CAO | CAJ | HAJ | 126.6° | 126.6° |
| CAJ | CAO | NAK | 108.4° | 108.4° |
| CAJ | CAO | CAN | 121.8° | 125.7° |
| NAV | CAJ | HAJ | 126.6° | 126.7° |
| CAJ | NAV | NAL | 110.0° | 106.9° |
| CAJ | NAV | CAT | 121.7° | 126.6° |
| CAO | NAK | NAL | 106.9° | 109.6° |
| NAK | CAO | CAN | 129.8° | 125.9° |
| NAK | NAL | NAV | 107.9° | 108.4° |
| NAL | NAV | CAT | 128.2° | 126.5° |
| OAM | CAN | CAO | 116.8° | 120.0° |
| CAT | CAP | CAR | 118.6° | 120.0° |
| CAP | CAT | CAQ | 120.8° | 119.9° |
| CAP | CAT | NAV | 123.5° | 120.1° |
| CAP | CAR | CAU | 122.1° | 120.0° |
| CAT | CAQ | CAS | 120.6° | 119.9° |
| CAQ | CAT | NAV | 115.7° | 120.0° |
| CAQ | CAS | CAU | 121.4° | 120.1° |
| CAR | CAU | CAS | 116.5° | 120.2° |
| CAR | CAU | SAW | 121.4° | 119.9° |
| CAS | CAU | SAW | 122.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAM | CAA | HAA | HAAA | 120.0° | 120.1° |
| OAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | OAM | CAN | OAC | 168.1° | 0.0° |
| CAA | OAM | CAN | CAO | 41.4° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAA | CAA | OAM | CAN | 180.0° | 60.0° |
| HAAA | CAA | OAM | CAN | 60.0° | 180.0° |
| HAAB | CAA | OAM | CAN | 60.0° | 60.0° |
| SAW | NAB | HNAB | HNAA | 120.0° | 179.9° |
| NAB | SAW | OAD | OAE | 129.9° | 122.9° |
| NAB | SAW | OAD | CAU | 115.7° | 114.1° |
| NAB | SAW | OAE | CAU | 116.7° | 114.1° |
| NAB | SAW | CAU | CAR | 56.8° | 90.0° |
| NAB | SAW | CAU | CAS | 124.9° | 90.0° |
| HNAB | NAB | SAW | OAD | 180.0° | 66.4° |
| HNAB | NAB | SAW | OAE | 48.5° | 66.5° |
| HNAB | NAB | SAW | CAU | 67.1° | 180.0° |
| HNAA | NAB | SAW | OAD | 60.0° | 113.5° |
| HNAA | NAB | SAW | OAE | 168.5° | 113.6° |
| HNAA | NAB | SAW | CAU | 52.9° | 0.0° |
| OAC | CAN | CAO | CAJ | 157.3° | 0.1° |
| OAC | CAN | CAO | NAK | 23.3° | 180.0° |
| OAC | CAN | OAM | CAO | 150.6° | 180.0° |
| OAD | SAW | OAE | CAU | 112.6° | 123.0° |
| OAD | SAW | CAU | CAR | 63.0° | 23.5° |
| OAD | SAW | CAU | CAS | 115.3° | 156.5° |
| OAE | SAW | CAU | CAR | 176.3° | 156.5° |
| OAE | SAW | CAU | CAS | 5.4° | 23.5° |
| FAF | CAP | CAR | FAH | 1.8° | 0.0° |
| FAF | CAP | CAT | CAR | 178.2° | 179.7° |
| FAF | CAP | CAT | CAQ | 177.9° | 180.0° |
| FAF | CAP | CAR | CAU | 178.4° | 180.0° |
| FAF | CAP | CAT | NAV | 1.5° | 0.0° |
| FAG | CAQ | CAS | FAI | 1.2° | 0.0° |
| FAG | CAQ | CAT | CAP | 179.6° | 179.7° |
| FAG | CAQ | CAT | CAS | 179.0° | 179.7° |
| FAG | CAQ | CAS | CAU | 179.3° | 180.0° |
| FAG | CAQ | CAT | NAV | 0.9° | 0.3° |
| FAH | CAR | CAP | CAT | 180.0° | 179.7° |
| FAH | CAR | CAP | CAU | 179.8° | 180.0° |
| FAH | CAR | CAU | CAS | 179.8° | 180.0° |
| FAH | CAR | CAU | SAW | 1.4° | 0.0° |
| FAI | CAS | CAQ | CAT | 179.8° | 179.7° |
| FAI | CAS | CAQ | CAU | 179.5° | 180.0° |
| FAI | CAS | CAU | CAR | 179.3° | 179.7° |
| FAI | CAS | CAU | SAW | 1.0° | 0.3° |
| CAO | CAJ | NAV | HAJ | 180.0° | 179.8° |
| CAJ | CAO | NAK | CAN | 179.4° | 179.9° |
| CAJ | CAO | NAK | NAL | 1.1° | 0.3° |
| CAO | CAJ | NAV | NAL | 2.3° | 0.3° |
| CAJ | CAO | CAN | OAM | 51.5° | 180.0° |
| CAO | CAJ | NAV | CAT | 178.5° | 179.8° |
| NAV | CAJ | CAO | NAK | 0.7° | 0.0° |
| CAJ | NAV | NAL | NAK | 3.0° | 0.4° |
| CAJ | NAV | NAL | CAT | 175.9° | 179.9° |
| NAV | CAJ | CAO | CAN | 179.8° | 180.0° |
| CAJ | NAV | CAT | CAP | 130.9° | 180.0° |
| CAJ | NAV | CAT | CAQ | 49.6° | 0.1° |
| HAJ | CAJ | CAO | NAK | 179.2° | 179.8° |
| HAJ | CAJ | NAV | NAL | 177.7° | 180.0° |
| HAJ | CAJ | CAO | CAN | 0.2° | 0.2° |
| HAJ | CAJ | NAV | CAT | 1.5° | 0.0° |
| CAO | NAK | NAL | NAV | 2.5° | 0.5° |
| NAK | CAO | CAN | OAM | 127.9° | 0.0° |
| NAL | NAK | CAO | CAN | 178.3° | 179.8° |
| NAK | NAL | NAV | CAT | 178.9° | 179.6° |
| NAL | NAV | CAT | CAP | 53.6° | 0.1° |
| NAL | NAV | CAT | CAQ | 125.9° | 180.0° |
| CAP | CAT | CAQ | NAV | 179.5° | 180.0° |
| CAP | CAT | CAQ | CAS | 0.6° | 0.0° |
| CAT | CAP | CAR | CAU | 0.2° | 0.3° |
| CAR | CAP | CAT | CAQ | 0.3° | 0.3° |
| CAP | CAR | CAU | CAS | 0.4° | 0.0° |
| CAR | CAP | CAT | NAV | 179.7° | 179.7° |
| CAP | CAR | CAU | SAW | 178.8° | 180.0° |
| CAT | CAQ | CAS | CAU | 0.3° | 0.3° |
| CAQ | CAS | CAU | CAR | 0.2° | 0.3° |
| CAS | CAQ | CAT | NAV | 179.9° | 180.0° |
| CAQ | CAS | CAU | SAW | 178.5° | 179.7° |
| CAR | CAU | CAS | SAW | 178.4° | 180.0° |
