951
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAA | sing | 1.35Å | 1.36Å | Aromatic |
| CAD | CAA | sing | 1.48Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.36Å | 1.33Å | Aromatic |
| CAE | CAB | sing | 1.47Å | 1.53Å | |
| CAB | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| OAC | CAG | sing | 1.35Å | 1.36Å | Aromatic |
| CAR | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| OAO | CAE | doub | 1.22Å | 1.25Å | |
| OAM | CAE | sing | 1.35Å | 1.25Å | |
| CAI | CAF | sing | 1.40Å | 1.33Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | CAG | sing | 1.46Å | 1.39Å | |
| CAG | CAI | doub | 1.38Å | 1.33Å | Aromatic |
| NAN | NAH | sing | 1.40Å | 1.23Å | |
| CAJ | NAH | doub | 1.30Å | 1.32Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAN | CAK | sing | 1.39Å | 1.33Å | |
| CAK | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CLAP | sing | 1.74Å | 1.73Å | |
| OAM | HOAM | sing | 0.97Å | 0.95Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAQ | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAV | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAX | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAA | CAD | 120.0° | 125.7° |
| OAC | CAA | CAF | 108.4° | 108.7° |
| CAA | OAC | CAG | 105.6° | 109.4° |
| CAD | CAA | CAF | 131.6° | 125.7° |
| CAA | CAD | CAR | 116.7° | 120.2° |
| CAA | CAD | CAL | 124.1° | 120.1° |
| CAA | CAF | CAI | 109.1° | 107.1° |
| CAA | CAF | HAF | 125.4° | 126.5° |
| CAE | CAB | CAQ | 119.4° | 120.2° |
| CAE | CAB | CAK | 120.8° | 120.2° |
| CAB | CAE | OAO | 118.1° | 120.1° |
| CAB | CAE | OAM | 118.2° | 120.0° |
| CAQ | CAB | CAK | 119.8° | 119.6° |
| CAB | CAQ | CAU | 120.3° | 119.9° |
| CAB | CAQ | HAQ | 119.9° | 120.1° |
| CAB | CAK | NAN | 119.6° | 120.2° |
| CAB | CAK | CAS | 120.0° | 119.7° |
| OAC | CAG | CAJ | 123.0° | 125.9° |
| OAC | CAG | CAI | 109.3° | 108.1° |
| CAR | CAD | CAL | 119.2° | 119.7° |
| CAD | CAR | CAV | 120.9° | 119.9° |
| CAD | CAR | HAR | 119.5° | 120.1° |
| CAD | CAL | CAT | 119.9° | 119.8° |
| CAD | CAL | CLAP | 122.8° | 120.1° |
| OAO | CAE | OAM | 123.7° | 120.0° |
| CAE | OAM | HOAM | 109.5° | 117.0° |
| CAI | CAF | HAF | 125.5° | 126.4° |
| CAF | CAI | CAG | 107.7° | 106.8° |
| CAF | CAI | HAI | 126.1° | 126.6° |
| CAJ | CAG | CAI | 127.5° | 125.9° |
| CAG | CAJ | NAH | 123.7° | 120.0° |
| CAG | CAJ | HAJ | 118.2° | 120.0° |
| CAG | CAI | HAI | 126.1° | 126.6° |
| NAN | NAH | CAJ | 118.1° | 120.0° |
| NAH | NAN | CAK | 122.7° | 120.0° |
| NAH | NAN | HNAN | 118.6° | 120.1° |
| NAH | CAJ | HAJ | 118.2° | 120.0° |
| NAN | CAK | CAS | 120.3° | 120.2° |
| CAK | NAN | HNAN | 118.6° | 120.0° |
| CAK | CAS | CAW | 120.3° | 120.0° |
| CAK | CAS | HAS | 119.8° | 120.0° |
| CAT | CAL | CLAP | 117.3° | 120.1° |
| CAL | CAT | CAX | 120.6° | 120.2° |
| CAL | CAT | HAT | 119.7° | 119.9° |
| CAU | CAQ | HAQ | 119.8° | 120.0° |
| CAQ | CAU | CAW | 119.9° | 120.3° |
| CAQ | CAU | HAU | 120.1° | 119.8° |
| CAV | CAR | HAR | 119.5° | 120.0° |
| CAR | CAV | CAX | 119.7° | 120.2° |
| CAR | CAV | HAV | 120.1° | 119.9° |
| CAW | CAS | HAS | 119.9° | 120.0° |
| CAS | CAW | CAU | 119.8° | 120.5° |
| CAS | CAW | HAW | 120.1° | 119.8° |
| CAX | CAT | HAT | 119.7° | 119.9° |
| CAT | CAX | CAV | 119.7° | 120.3° |
| CAT | CAX | HAX | 120.1° | 119.9° |
| CAW | CAU | HAU | 120.1° | 119.8° |
| CAU | CAW | HAW | 120.1° | 119.7° |
| CAX | CAV | HAV | 120.2° | 120.0° |
| CAV | CAX | HAX | 120.2° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAA | CAD | CAF | 178.9° | 179.7° |
| OAC | CAA | CAD | CAR | 24.9° | 129.4° |
| OAC | CAA | CAD | CAL | 152.7° | 50.3° |
| OAC | CAA | CAF | CAI | 0.7° | 0.0° |
| OAC | CAA | CAF | HAF | 179.3° | 180.0° |
| CAA | OAC | CAG | CAJ | 174.0° | 179.9° |
| CAA | OAC | CAG | CAI | 0.5° | 0.1° |
| CAD | CAA | OAC | CAG | 178.4° | 179.8° |
| CAA | CAD | CAR | CAL | 177.7° | 179.7° |
| CAD | CAA | CAF | CAI | 178.3° | 179.7° |
| CAD | CAA | CAF | HAF | 1.7° | 0.3° |
| CAA | CAD | CAL | CAT | 177.1° | 180.0° |
| CAA | CAD | CAL | CLAP | 2.7° | 0.1° |
| CAA | CAD | CAR | CAV | 177.3° | 180.0° |
| CAA | CAD | CAR | HAR | 2.7° | 0.0° |
| CAF | CAA | OAC | CAG | 0.8° | 0.1° |
| CAF | CAA | CAD | CAR | 156.2° | 50.3° |
| CAF | CAA | CAD | CAL | 26.2° | 130.0° |
| CAA | CAF | CAI | HAF | 180.0° | 179.9° |
| CAA | CAF | CAI | CAG | 0.4° | 0.0° |
| CAA | CAF | CAI | HAI | 179.6° | 180.0° |
| CAE | CAB | CAQ | CAK | 177.2° | 179.7° |
| CAB | CAE | OAO | OAM | 177.6° | 180.0° |
| CAE | CAB | CAK | NAN | 6.4° | 0.3° |
| CAE | CAB | CAK | CAS | 177.2° | 179.7° |
| CAB | CAE | OAM | HOAM | 177.7° | 180.0° |
| CAE | CAB | CAQ | CAU | 177.2° | 179.7° |
| CAE | CAB | CAQ | HAQ | 2.8° | 0.2° |
| CAQ | CAB | CAE | OAO | 22.7° | 174.3° |
| CAQ | CAB | CAE | OAM | 159.6° | 5.6° |
| CAQ | CAB | CAK | NAN | 176.5° | 180.0° |
| CAQ | CAB | CAK | CAS | 0.0° | 0.0° |
| CAB | CAQ | CAU | HAQ | 180.0° | 179.9° |
| CAB | CAQ | CAU | CAW | 0.1° | 0.0° |
| CAB | CAQ | CAU | HAU | 179.9° | 180.0° |
| CAK | CAB | CAE | OAO | 154.5° | 5.4° |
| CAK | CAB | CAE | OAM | 23.3° | 174.6° |
| CAB | CAK | NAN | NAH | 176.8° | 174.6° |
| CAB | CAK | NAN | CAS | 176.4° | 180.0° |
| CAB | CAK | NAN | HNAN | 3.2° | 5.4° |
| CAK | CAB | CAQ | CAU | 0.0° | 0.0° |
| CAK | CAB | CAQ | HAQ | 180.0° | 179.9° |
| CAB | CAK | CAS | CAW | 0.1° | 0.0° |
| CAB | CAK | CAS | HAS | 180.0° | 180.0° |
| OAC | CAG | CAI | CAF | 0.1° | 0.0° |
| OAC | CAG | CAJ | CAI | 173.4° | 179.8° |
| OAC | CAG | CAJ | NAH | 172.0° | 0.1° |
| OAC | CAG | CAI | HAI | 179.9° | 180.0° |
| OAC | CAG | CAJ | HAJ | 8.0° | 180.0° |
| CAR | CAD | CAL | CAT | 0.4° | 0.3° |
| CAR | CAD | CAL | CLAP | 179.8° | 179.7° |
| CAD | CAR | CAV | HAR | 180.0° | 180.0° |
| CAD | CAR | CAV | CAX | 0.1° | 0.0° |
| CAD | CAR | CAV | HAV | 179.9° | 180.0° |
| CAD | CAL | CAT | CLAP | 179.8° | 179.9° |
| CAL | CAD | CAR | CAV | 0.4° | 0.3° |
| CAL | CAD | CAR | HAR | 179.6° | 179.7° |
| CAD | CAL | CAT | CAX | 0.2° | 0.1° |
| CAD | CAL | CAT | HAT | 179.8° | 180.0° |
| OAO | CAE | OAM | HOAM | 0.0° | 0.0° |
| CAF | CAI | CAG | CAJ | 174.1° | 179.9° |
| CAF | CAI | CAG | HAI | 180.0° | 180.0° |
| HAF | CAF | CAI | CAG | 179.6° | 179.9° |
| HAF | CAF | CAI | HAI | 0.4° | 0.0° |
| CAG | CAJ | NAH | NAN | 177.4° | 180.0° |
| CAG | CAJ | NAH | HAJ | 180.0° | 179.9° |
| CAJ | CAG | CAI | HAI | 5.9° | 0.1° |
| CAI | CAG | CAJ | NAH | 1.4° | 180.0° |
| CAI | CAG | CAJ | HAJ | 178.6° | 0.1° |
| NAN | NAH | CAJ | HAJ | 2.6° | 0.1° |
| NAH | NAN | CAK | HNAN | 180.0° | 180.0° |
| NAH | NAN | CAK | CAS | 6.8° | 5.4° |
| CAJ | NAH | NAN | CAK | 179.1° | 180.0° |
| CAJ | NAH | NAN | HNAN | 1.0° | 0.0° |
| NAN | CAK | CAS | CAW | 176.5° | 180.0° |
| NAN | CAK | CAS | HAS | 3.6° | 0.0° |
| CAS | CAK | NAN | HNAN | 173.2° | 174.6° |
| CAK | CAS | CAW | HAS | 180.0° | 180.0° |
| CAK | CAS | CAW | CAU | 0.0° | 0.1° |
| CAK | CAS | CAW | HAW | 180.0° | 180.0° |
| CAL | CAT | CAX | HAT | 180.0° | 179.9° |
| CAL | CAT | CAX | CAV | 0.1° | 0.4° |
| CAL | CAT | CAX | HAX | 179.9° | 180.0° |
| CLAP | CAL | CAT | CAX | 180.0° | 180.0° |
| CLAP | CAL | CAT | HAT | 0.0° | 0.1° |
| CAQ | CAU | CAW | CAS | 0.1° | 0.0° |
| CAQ | CAU | CAW | HAU | 180.0° | 180.0° |
| CAQ | CAU | CAW | HAW | 179.9° | 180.0° |
| HAQ | CAQ | CAU | CAW | 179.9° | 179.9° |
| HAQ | CAQ | CAU | HAU | 0.1° | 0.1° |
| CAR | CAV | CAX | CAT | 0.2° | 0.3° |
| CAR | CAV | CAX | HAV | 180.0° | 180.0° |
| CAR | CAV | CAX | HAX | 179.8° | 180.0° |
| HAR | CAR | CAV | CAX | 179.9° | 180.0° |
| HAR | CAR | CAV | HAV | 0.1° | 0.1° |
| CAS | CAW | CAU | HAW | 180.0° | 180.0° |
| CAS | CAW | CAU | HAU | 180.0° | 180.0° |
| HAS | CAS | CAW | CAU | 180.0° | 180.0° |
| HAS | CAS | CAW | HAW | 0.0° | 0.0° |
| CAT | CAX | CAV | HAX | 180.0° | 179.7° |
| CAT | CAX | CAV | HAV | 179.8° | 179.7° |
| HAT | CAT | CAX | CAV | 179.9° | 179.7° |
| HAT | CAT | CAX | HAX | 0.1° | 0.0° |
| HAU | CAU | CAW | HAW | 0.1° | 0.0° |
| HAV | CAV | CAX | HAX | 0.2° | 0.0° |
