D83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAS | sing | 1.38Å | 1.34Å | |
| NAD | CAS | doub | 1.30Å | 1.33Å | |
| CAS | CAU | sing | 1.48Å | 1.40Å | |
| CAU | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.36Å | 1.40Å | Aromatic |
| CAO | CBA | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAZ | doub | 1.40Å | 1.39Å | Aromatic |
| CBA | CAZ | sing | 1.41Å | 1.38Å | Aromatic |
| CBA | NAQ | sing | 1.38Å | 1.32Å | Aromatic |
| CAZ | CAP | sing | 1.42Å | 1.34Å | Aromatic |
| NAQ | CAY | sing | 1.38Å | 1.34Å | Aromatic |
| CAP | CAY | doub | 1.36Å | 1.34Å | Aromatic |
| CAY | CAX | sing | 1.48Å | 1.40Å | Aromatic |
| CAX | CAL | doub | 1.40Å | 1.38Å | Aromatic |
| CAX | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAW | doub | 1.40Å | 1.38Å | Aromatic |
| CAI | CAW | sing | 1.40Å | 1.41Å | Aromatic |
| CAW | CAV | sing | 1.48Å | 1.39Å | Aromatic |
| CAV | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAT | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAR | sing | 1.48Å | 1.40Å | |
| NAC | CAR | sing | 1.38Å | 1.34Å | |
| CAR | NAA | doub | 1.30Å | 1.33Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAC | sing | 0.97Å | 1.00Å | |
| NAC | HNAD | sing | 0.97Å | 1.00Å | |
| NAC | HNAE | sing | 0.97Å | 1.00Å | |
| NAD | HNAF | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAS | NAD | 119.4° | 120.0° |
| NAB | CAS | CAU | 119.8° | 120.0° |
| CAS | NAB | HNAB | 120.0° | 120.0° |
| CAS | NAB | HNAC | 120.0° | 120.0° |
| NAD | CAS | CAU | 120.7° | 120.0° |
| CAS | NAD | HNAF | 112.0° | 120.0° |
| CAS | CAU | CAM | 119.8° | 119.9° |
| CAS | CAU | CAO | 120.7° | 119.8° |
| CAM | CAU | CAO | 119.6° | 120.3° |
| CAU | CAM | CAN | 120.2° | 120.5° |
| CAU | CAM | HAM | 119.9° | 119.7° |
| CAU | CAO | CBA | 119.8° | 119.7° |
| CAU | CAO | HAO | 120.1° | 120.1° |
| CAM | CAN | CAZ | 119.9° | 120.0° |
| CAN | CAM | HAM | 119.9° | 119.8° |
| CAM | CAN | HAN | 120.0° | 120.0° |
| CAO | CBA | CAZ | 120.6° | 119.6° |
| CAO | CBA | NAQ | 132.2° | 133.1° |
| CBA | CAO | HAO | 120.1° | 120.2° |
| CAN | CAZ | CBA | 119.9° | 119.9° |
| CAN | CAZ | CAP | 132.6° | 133.2° |
| CAZ | CAN | HAN | 120.0° | 120.0° |
| CAZ | CBA | NAQ | 107.2° | 107.3° |
| CBA | CAZ | CAP | 107.5° | 106.8° |
| CBA | NAQ | CAY | 109.2° | 108.8° |
| CBA | NAQ | HNAQ | 125.4° | 125.6° |
| CAZ | CAP | CAY | 107.8° | 107.8° |
| CAZ | CAP | HAP | 126.1° | 126.1° |
| NAQ | CAY | CAP | 108.3° | 109.3° |
| NAQ | CAY | CAX | 124.3° | 125.4° |
| CAY | NAQ | HNAQ | 125.4° | 125.6° |
| CAP | CAY | CAX | 127.3° | 125.4° |
| CAY | CAP | HAP | 126.1° | 126.1° |
| CAY | CAX | CAL | 118.0° | 120.0° |
| CAY | CAX | CAK | 122.2° | 120.1° |
| CAL | CAX | CAK | 119.7° | 119.9° |
| CAX | CAL | CAJ | 121.0° | 120.0° |
| CAX | CAL | HAL | 119.5° | 120.0° |
| CAX | CAK | CAI | 119.3° | 120.0° |
| CAX | CAK | HAK | 120.3° | 120.0° |
| CAL | CAJ | CAW | 120.7° | 120.1° |
| CAL | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAL | HAL | 119.5° | 120.0° |
| CAK | CAI | CAW | 119.4° | 120.0° |
| CAK | CAI | HAI | 120.3° | 120.0° |
| CAI | CAK | HAK | 120.4° | 120.0° |
| CAJ | CAW | CAI | 119.8° | 120.0° |
| CAJ | CAW | CAV | 118.3° | 120.0° |
| CAW | CAJ | HAJ | 119.6° | 120.0° |
| CAI | CAW | CAV | 121.9° | 120.0° |
| CAW | CAI | HAI | 120.3° | 120.0° |
| CAW | CAV | CAG | 120.2° | 120.0° |
| CAW | CAV | CAH | 119.7° | 120.0° |
| CAG | CAV | CAH | 119.9° | 120.0° |
| CAV | CAG | CAE | 120.1° | 120.0° |
| CAV | CAG | HAG | 119.9° | 120.0° |
| CAV | CAH | CAF | 120.0° | 120.0° |
| CAV | CAH | HAH | 120.0° | 120.0° |
| CAG | CAE | CAT | 120.0° | 120.0° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAE | CAG | HAG | 119.9° | 120.0° |
| CAH | CAF | CAT | 120.1° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAE | CAT | CAF | 119.8° | 120.0° |
| CAE | CAT | CAR | 119.9° | 120.0° |
| CAT | CAE | HAE | 120.0° | 120.0° |
| CAF | CAT | CAR | 120.2° | 120.0° |
| CAT | CAF | HAF | 120.0° | 120.0° |
| CAT | CAR | NAC | 120.0° | 120.0° |
| CAT | CAR | NAA | 120.3° | 120.0° |
| NAC | CAR | NAA | 119.6° | 120.0° |
| CAR | NAC | HNAD | 120.0° | 120.0° |
| CAR | NAC | HNAE | 120.0° | 120.0° |
| CAR | NAA | HNAA | 112.0° | 120.1° |
| HNAB | NAB | HNAC | 120.0° | 120.0° |
| HNAD | NAC | HNAE | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAS | NAD | CAU | 175.9° | 180.0° |
| NAB | CAS | CAU | CAM | 20.3° | 0.0° |
| NAB | CAS | CAU | CAO | 158.1° | 180.0° |
| CAS | NAB | HNAB | HNAC | 180.0° | 180.0° |
| NAB | CAS | NAD | HNAF | 175.9° | 180.0° |
| NAD | CAS | CAU | CAM | 163.8° | 180.0° |
| NAD | CAS | CAU | CAO | 17.8° | 0.0° |
| NAD | CAS | NAB | HNAB | 175.9° | 0.0° |
| NAD | CAS | NAB | HNAC | 4.1° | 180.0° |
| CAS | CAU | CAM | CAO | 178.4° | 180.0° |
| CAS | CAU | CAM | CAN | 178.8° | 180.0° |
| CAS | CAU | CAO | CBA | 179.0° | 179.4° |
| CAU | CAS | NAB | HNAB | 0.0° | 180.0° |
| CAU | CAS | NAB | HNAC | 180.0° | 0.1° |
| CAU | CAS | NAD | HNAF | 0.0° | 0.1° |
| CAS | CAU | CAM | HAM | 1.2° | 0.3° |
| CAS | CAU | CAO | HAO | 1.0° | 0.3° |
| CAU | CAM | CAN | HAM | 180.0° | 179.7° |
| CAM | CAU | CAO | CBA | 0.6° | 0.6° |
| CAU | CAM | CAN | CAZ | 0.0° | 0.3° |
| CAU | CAM | CAN | HAN | 180.0° | 179.7° |
| CAM | CAU | CAO | HAO | 179.4° | 179.7° |
| CAO | CAU | CAM | CAN | 0.4° | 0.0° |
| CAU | CAO | CBA | HAO | 180.0° | 179.1° |
| CAU | CAO | CBA | CAZ | 0.4° | 0.8° |
| CAU | CAO | CBA | NAQ | 179.4° | 180.0° |
| CAO | CAU | CAM | HAM | 179.7° | 179.7° |
| CAM | CAN | CAZ | HAN | 180.0° | 180.0° |
| CAM | CAN | CAZ | CBA | 0.2° | 0.0° |
| CAM | CAN | CAZ | CAP | 179.6° | 180.0° |
| CAO | CBA | CAZ | CAN | 0.0° | 0.6° |
| CAO | CBA | CAZ | NAQ | 179.9° | 179.3° |
| CAO | CBA | CAZ | CAP | 179.9° | 179.4° |
| CAO | CBA | NAQ | CAY | 179.9° | 179.4° |
| CAO | CBA | NAQ | HNAQ | 0.1° | 0.9° |
| CAN | CAZ | CBA | CAP | 179.8° | 180.0° |
| CAN | CAZ | CBA | NAQ | 179.9° | 179.9° |
| CAN | CAZ | CAP | CAY | 179.9° | 180.0° |
| CAZ | CAN | CAM | HAM | 179.9° | 180.0° |
| CAN | CAZ | CAP | HAP | 0.1° | 0.1° |
| CAZ | CBA | NAQ | CAY | 0.0° | 0.2° |
| CBA | CAZ | CAP | CAY | 0.1° | 0.0° |
| CBA | CAZ | CAN | HAN | 179.8° | 180.0° |
| CAZ | CBA | CAO | HAO | 179.6° | 179.9° |
| CBA | CAZ | CAP | HAP | 179.9° | 179.9° |
| CAZ | CBA | NAQ | HNAQ | 180.0° | 180.0° |
| NAQ | CBA | CAZ | CAP | 0.0° | 0.1° |
| CBA | NAQ | CAY | HNAQ | 180.0° | 179.8° |
| CBA | NAQ | CAY | CAP | 0.1° | 0.2° |
| CBA | NAQ | CAY | CAX | 179.4° | 179.8° |
| NAQ | CBA | CAO | HAO | 0.6° | 0.9° |
| CAZ | CAP | CAY | NAQ | 0.1° | 0.1° |
| CAZ | CAP | CAY | HAP | 180.0° | 180.0° |
| CAZ | CAP | CAY | CAX | 179.4° | 179.9° |
| CAP | CAZ | CAN | HAN | 0.4° | 0.0° |
| NAQ | CAY | CAP | CAX | 179.5° | 180.0° |
| NAQ | CAY | CAX | CAL | 12.9° | 180.0° |
| NAQ | CAY | CAX | CAK | 167.3° | 0.3° |
| NAQ | CAY | CAP | HAP | 179.9° | 180.0° |
| CAP | CAY | CAX | CAL | 166.5° | 0.0° |
| CAP | CAY | CAX | CAK | 13.3° | 179.8° |
| CAP | CAY | NAQ | HNAQ | 180.0° | 180.0° |
| CAY | CAX | CAL | CAK | 179.8° | 179.7° |
| CAY | CAX | CAL | CAJ | 179.5° | 180.0° |
| CAY | CAX | CAK | CAI | 179.8° | 179.7° |
| CAY | CAX | CAK | HAK | 0.1° | 0.2° |
| CAY | CAX | CAL | HAL | 0.6° | 0.5° |
| CAX | CAY | CAP | HAP | 0.6° | 0.1° |
| CAX | CAY | NAQ | HNAQ | 0.6° | 0.0° |
| CAX | CAL | CAJ | HAL | 180.0° | 179.6° |
| CAL | CAX | CAK | CAI | 0.4° | 0.0° |
| CAX | CAL | CAJ | CAW | 1.8° | 0.5° |
| CAX | CAL | CAJ | HAJ | 178.2° | 180.0° |
| CAL | CAX | CAK | HAK | 179.7° | 180.0° |
| CAK | CAX | CAL | CAJ | 0.7° | 0.2° |
| CAX | CAK | CAI | HAK | 180.0° | 179.9° |
| CAX | CAK | CAI | CAW | 1.0° | 0.0° |
| CAX | CAK | CAI | HAI | 179.0° | 179.7° |
| CAK | CAX | CAL | HAL | 179.3° | 179.8° |
| CAL | CAJ | CAW | HAJ | 180.0° | 179.5° |
| CAL | CAJ | CAW | CAI | 2.4° | 0.5° |
| CAL | CAJ | CAW | CAV | 178.3° | 179.5° |
| CAK | CAI | CAW | CAJ | 2.0° | 0.2° |
| CAK | CAI | CAW | HAI | 180.0° | 179.8° |
| CAK | CAI | CAW | CAV | 177.8° | 179.8° |
| CAJ | CAW | CAI | CAV | 175.8° | 180.0° |
| CAJ | CAW | CAV | CAG | 153.7° | 0.0° |
| CAJ | CAW | CAV | CAH | 21.2° | 180.0° |
| CAJ | CAW | CAI | HAI | 178.0° | 180.0° |
| CAW | CAJ | CAL | HAL | 178.2° | 179.9° |
| CAI | CAW | CAV | CAG | 22.2° | 180.0° |
| CAI | CAW | CAV | CAH | 163.0° | 0.0° |
| CAI | CAW | CAJ | HAJ | 177.6° | 180.0° |
| CAW | CAI | CAK | HAK | 179.0° | 180.0° |
| CAW | CAV | CAG | CAH | 174.9° | 180.0° |
| CAW | CAV | CAG | CAE | 177.5° | 180.0° |
| CAW | CAV | CAH | CAF | 177.6° | 179.7° |
| CAW | CAV | CAG | HAG | 2.5° | 0.0° |
| CAW | CAV | CAH | HAH | 2.5° | 0.2° |
| CAV | CAW | CAI | HAI | 2.2° | 0.0° |
| CAV | CAW | CAJ | HAJ | 1.7° | 0.0° |
| CAV | CAG | CAE | HAG | 180.0° | 180.0° |
| CAG | CAV | CAH | CAF | 2.7° | 0.3° |
| CAV | CAG | CAE | CAT | 1.0° | 0.0° |
| CAV | CAG | CAE | HAE | 179.0° | 179.8° |
| CAG | CAV | CAH | HAH | 177.3° | 179.8° |
| CAH | CAV | CAG | CAE | 2.7° | 0.0° |
| CAV | CAH | CAF | HAH | 180.0° | 179.5° |
| CAV | CAH | CAF | CAT | 1.1° | 0.5° |
| CAV | CAH | CAF | HAF | 178.9° | 180.0° |
| CAH | CAV | CAG | HAG | 177.3° | 180.0° |
| CAG | CAE | CAT | HAE | 180.0° | 179.8° |
| CAG | CAE | CAT | CAF | 0.6° | 0.2° |
| CAG | CAE | CAT | CAR | 179.4° | 179.8° |
| CAH | CAF | CAT | CAE | 0.6° | 0.5° |
| CAH | CAF | CAT | HAF | 180.0° | 179.5° |
| CAH | CAF | CAT | CAR | 179.3° | 179.5° |
| CAE | CAT | CAF | CAR | 178.7° | 179.9° |
| CAE | CAT | CAR | NAC | 36.9° | 180.0° |
| CAE | CAT | CAR | NAA | 146.4° | 0.0° |
| CAE | CAT | CAF | HAF | 179.4° | 179.9° |
| CAT | CAE | CAG | HAG | 179.0° | 179.9° |
| CAF | CAT | CAR | NAC | 141.8° | 0.0° |
| CAF | CAT | CAR | NAA | 34.8° | 179.9° |
| CAF | CAT | CAE | HAE | 179.4° | 180.0° |
| CAT | CAF | CAH | HAH | 179.0° | 180.0° |
| CAT | CAR | NAC | NAA | 176.7° | 179.9° |
| CAT | CAR | NAA | HNAA | 176.7° | 180.0° |
| CAT | CAR | NAC | HNAD | 176.7° | 180.0° |
| CAT | CAR | NAC | HNAE | 3.3° | 0.0° |
| CAR | CAT | CAE | HAE | 0.6° | 0.1° |
| CAR | CAT | CAF | HAF | 0.7° | 0.0° |
| NAC | CAR | NAA | HNAA | 0.0° | 0.1° |
| CAR | NAC | HNAD | HNAE | 180.0° | 179.9° |
| NAA | CAR | NAC | HNAD | 0.0° | 0.0° |
| NAA | CAR | NAC | HNAE | 180.0° | 179.9° |
| HAE | CAE | CAG | HAG | 1.0° | 0.2° |
| HAF | CAF | CAH | HAH | 1.1° | 0.5° |
| HAI | CAI | CAK | HAK | 1.0° | 0.2° |
| HAJ | CAJ | CAL | HAL | 1.8° | 0.4° |
| HAM | CAM | CAN | HAN | 0.1° | 0.0° |
