T13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAN | sing | 1.43Å | 1.42Å | |
| OAN | CAV | sing | 1.36Å | 1.36Å | |
| CAV | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | FAD | sing | 1.35Å | 1.34Å | |
| CAL | CAO | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | NAM | sing | 1.40Å | 1.32Å | |
| NAM | SAX | sing | 1.66Å | 1.62Å | |
| SAX | OAB | doub | 1.42Å | 1.49Å | |
| SAX | OAC | doub | 1.42Å | 1.53Å | |
| SAX | CAW | sing | 1.76Å | 1.74Å | |
| CAW | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAW | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | FAH | sing | 1.35Å | 1.36Å | |
| CAT | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | FAF | sing | 1.35Å | 1.36Å | |
| CAR | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | FAE | sing | 1.35Å | 1.35Å | |
| CAQ | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | FAG | sing | 1.35Å | 1.36Å | |
| CAS | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | FAI | sing | 1.35Å | 1.34Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAN | CAV | 108.6° | 117.0° |
| OAN | CAA | HAA | 109.5° | 109.4° |
| OAN | CAA | HAAA | 109.5° | 109.5° |
| OAN | CAA | HAAB | 109.5° | 109.4° |
| OAN | CAV | CAP | 117.4° | 120.0° |
| OAN | CAV | CAK | 122.5° | 120.0° |
| CAP | CAV | CAK | 120.1° | 120.0° |
| CAV | CAP | CAL | 119.2° | 120.0° |
| CAV | CAP | FAD | 118.1° | 120.0° |
| CAV | CAK | CAJ | 121.6° | 120.0° |
| CAV | CAK | HAK | 119.2° | 120.1° |
| CAL | CAP | FAD | 122.7° | 120.0° |
| CAP | CAL | CAO | 120.6° | 120.0° |
| CAP | CAL | HAL | 119.7° | 120.0° |
| CAL | CAO | CAJ | 120.8° | 120.0° |
| CAL | CAO | NAM | 119.0° | 120.0° |
| CAO | CAL | HAL | 119.7° | 120.0° |
| CAK | CAJ | CAO | 117.7° | 120.0° |
| CAJ | CAK | HAK | 119.2° | 119.9° |
| CAK | CAJ | HAJ | 121.1° | 120.0° |
| CAJ | CAO | NAM | 120.2° | 120.0° |
| CAO | CAJ | HAJ | 121.2° | 120.0° |
| CAO | NAM | SAX | 123.9° | 120.0° |
| CAO | NAM | HNAM | 104.9° | 119.9° |
| NAM | SAX | OAB | 106.4° | 106.4° |
| NAM | SAX | OAC | 110.1° | 106.4° |
| NAM | SAX | CAW | 112.6° | 107.2° |
| SAX | NAM | HNAM | 104.9° | 120.1° |
| OAB | SAX | OAC | 112.3° | 123.1° |
| OAB | SAX | CAW | 106.3° | 106.4° |
| OAC | SAX | CAW | 109.1° | 106.4° |
| SAX | CAW | CAT | 122.2° | 120.0° |
| SAX | CAW | CAU | 117.2° | 120.0° |
| CAT | CAW | CAU | 120.6° | 120.1° |
| CAW | CAT | FAH | 123.8° | 120.0° |
| CAW | CAT | CAR | 119.3° | 120.0° |
| CAW | CAU | CAS | 120.6° | 120.0° |
| CAW | CAU | FAI | 120.1° | 120.0° |
| FAH | CAT | CAR | 116.9° | 120.0° |
| CAT | CAR | FAF | 117.0° | 120.0° |
| CAT | CAR | CAQ | 119.7° | 120.0° |
| FAF | CAR | CAQ | 123.3° | 120.1° |
| CAR | CAQ | FAE | 120.1° | 120.0° |
| CAR | CAQ | CAS | 121.0° | 119.9° |
| FAE | CAQ | CAS | 118.9° | 120.0° |
| CAQ | CAS | FAG | 121.5° | 120.0° |
| CAQ | CAS | CAU | 118.8° | 120.0° |
| FAG | CAS | CAU | 119.7° | 120.0° |
| CAS | CAU | FAI | 119.2° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAN | CAV | CAP | 111.3° | 180.0° |
| CAA | OAN | CAV | CAK | 69.3° | 0.2° |
| OAN | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAN | CAA | HAA | HAAB | 120.0° | 119.9° |
| OAN | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAN | CAV | CAP | CAK | 179.5° | 179.8° |
| OAN | CAV | CAP | CAL | 179.6° | 180.0° |
| OAN | CAV | CAP | FAD | 0.4° | 0.0° |
| OAN | CAV | CAK | CAJ | 179.5° | 180.0° |
| CAV | OAN | CAA | HAA | 21.9° | 60.1° |
| CAV | OAN | CAA | HAAA | 142.0° | 60.0° |
| CAV | OAN | CAA | HAAB | 98.0° | 180.0° |
| OAN | CAV | CAK | HAK | 0.5° | 0.0° |
| CAV | CAP | CAL | FAD | 180.0° | 180.0° |
| CAV | CAP | CAL | CAO | 0.3° | 0.0° |
| CAP | CAV | CAK | CAJ | 0.1° | 0.2° |
| CAV | CAP | CAL | HAL | 179.7° | 180.0° |
| CAP | CAV | CAK | HAK | 179.9° | 179.7° |
| CAK | CAV | CAP | CAL | 0.2° | 0.2° |
| CAK | CAV | CAP | FAD | 179.8° | 179.7° |
| CAV | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAV | CAK | CAJ | CAO | 0.1° | 0.0° |
| CAV | CAK | CAJ | HAJ | 179.9° | 179.9° |
| CAP | CAL | CAO | HAL | 180.0° | 180.0° |
| CAP | CAL | CAO | CAJ | 0.4° | 0.2° |
| CAP | CAL | CAO | NAM | 179.2° | 180.0° |
| FAD | CAP | CAL | CAO | 179.7° | 180.0° |
| FAD | CAP | CAL | HAL | 0.3° | 0.0° |
| CAL | CAO | CAJ | CAK | 0.3° | 0.2° |
| CAL | CAO | CAJ | NAM | 178.8° | 179.8° |
| CAL | CAO | NAM | SAX | 120.5° | 133.7° |
| CAL | CAO | CAJ | HAJ | 179.7° | 179.7° |
| CAL | CAO | NAM | HNAM | 0.5° | 46.3° |
| CAK | CAJ | CAO | HAJ | 180.0° | 179.9° |
| CAK | CAJ | CAO | NAM | 179.1° | 180.0° |
| CAJ | CAO | NAM | SAX | 60.7° | 46.2° |
| CAJ | CAO | CAL | HAL | 179.6° | 179.8° |
| CAO | CAJ | CAK | HAK | 179.9° | 179.9° |
| CAJ | CAO | NAM | HNAM | 179.3° | 133.9° |
| CAO | NAM | SAX | HNAM | 120.0° | 180.0° |
| CAO | NAM | SAX | OAB | 105.5° | 51.6° |
| CAO | NAM | SAX | OAC | 132.6° | 175.5° |
| CAO | NAM | SAX | CAW | 10.6° | 61.9° |
| NAM | CAO | CAL | HAL | 0.8° | 0.1° |
| NAM | CAO | CAJ | HAJ | 0.9° | 0.1° |
| NAM | SAX | OAB | OAC | 120.5° | 122.9° |
| NAM | SAX | OAB | CAW | 120.2° | 114.1° |
| NAM | SAX | OAC | CAW | 124.0° | 114.1° |
| NAM | SAX | CAW | CAT | 65.9° | 95.6° |
| NAM | SAX | CAW | CAU | 115.0° | 84.7° |
| OAB | SAX | OAC | CAW | 117.6° | 123.0° |
| OAB | SAX | CAW | CAT | 177.9° | 17.9° |
| OAB | SAX | CAW | CAU | 1.2° | 161.8° |
| OAB | SAX | NAM | HNAM | 134.5° | 128.4° |
| OAC | SAX | CAW | CAT | 56.6° | 150.8° |
| OAC | SAX | CAW | CAU | 122.5° | 28.9° |
| OAC | SAX | NAM | HNAM | 12.6° | 4.5° |
| SAX | CAW | CAT | CAU | 179.1° | 179.7° |
| SAX | CAW | CAT | FAH | 0.5° | 0.0° |
| SAX | CAW | CAT | CAR | 179.7° | 180.0° |
| SAX | CAW | CAU | CAS | 179.3° | 179.7° |
| SAX | CAW | CAU | FAI | 0.0° | 0.1° |
| CAW | SAX | NAM | HNAM | 109.4° | 118.0° |
| CAW | CAT | FAH | CAR | 179.8° | 180.0° |
| CAW | CAT | CAR | FAF | 179.6° | 179.9° |
| CAW | CAT | CAR | CAQ | 0.7° | 0.0° |
| CAT | CAW | CAU | CAS | 0.2° | 0.6° |
| CAT | CAW | CAU | FAI | 179.2° | 179.8° |
| CAU | CAW | CAT | FAH | 179.6° | 179.7° |
| CAU | CAW | CAT | CAR | 0.7° | 0.3° |
| CAW | CAU | CAS | CAQ | 0.4° | 0.7° |
| CAW | CAU | CAS | FAG | 179.5° | 179.7° |
| CAW | CAU | CAS | FAI | 179.3° | 179.6° |
| FAH | CAT | CAR | FAF | 0.2° | 0.0° |
| FAH | CAT | CAR | CAQ | 179.6° | 180.0° |
| CAT | CAR | FAF | CAQ | 179.7° | 179.9° |
| CAT | CAR | CAQ | FAE | 179.9° | 180.0° |
| CAT | CAR | CAQ | CAS | 0.1° | 0.0° |
| FAF | CAR | CAQ | FAE | 0.2° | 0.0° |
| FAF | CAR | CAQ | CAS | 179.9° | 180.0° |
| CAR | CAQ | FAE | CAS | 179.9° | 180.0° |
| CAR | CAQ | CAS | FAG | 179.4° | 180.0° |
| CAR | CAQ | CAS | CAU | 0.4° | 0.4° |
| FAE | CAQ | CAS | FAG | 0.6° | 0.0° |
| FAE | CAQ | CAS | CAU | 179.5° | 179.7° |
| CAQ | CAS | FAG | CAU | 179.8° | 179.6° |
| CAQ | CAS | CAU | FAI | 179.7° | 179.7° |
| FAG | CAS | CAU | FAI | 0.1° | 0.1° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.1° |
| HAK | CAK | CAJ | HAJ | 0.1° | 0.0° |
