A2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | CAI | doub | 1.30Å | 1.30Å | |
| CAI | NAT | sing | 1.38Å | 1.33Å | |
| CAI | CAH | sing | 1.48Å | 1.33Å | |
| CAG | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAQ | doub | 1.39Å | 1.38Å | Aromatic |
| CAS | CAR | doub | 1.39Å | 1.32Å | Aromatic |
| CAQ | CAR | sing | 1.40Å | 1.41Å | Aromatic |
| CAQ | OAP | sing | 1.36Å | 1.36Å | |
| CAR | CAZ | sing | 1.47Å | 1.53Å | |
| CAZ | NAY | doub | 1.29Å | 1.36Å | |
| NAY | CAX | sing | 1.46Å | 1.59Å | |
| CAX | CAW | sing | 1.53Å | 1.39Å | |
| OAO | CAN | sing | 1.36Å | 1.36Å | |
| NAV | CAW | sing | 1.47Å | 1.47Å | |
| NAV | CAU | doub | 1.29Å | 1.30Å | |
| CAN | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAM | sing | 1.47Å | 1.39Å | |
| CAM | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.48Å | 1.39Å | |
| CAB | NAA | sing | 1.38Å | 1.33Å | |
| CAB | NAK | doub | 1.30Å | 1.33Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| NAT | HNAC | sing | 0.97Å | 1.00Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAXA | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | CAI | NAT | 130.1° | 120.0° |
| NAJ | CAI | CAH | 116.6° | 120.0° |
| CAI | NAJ | HNAJ | 112.0° | 120.0° |
| NAT | CAI | CAH | 113.2° | 120.0° |
| CAI | NAT | HNAT | 120.0° | 119.9° |
| CAI | NAT | HNAC | 120.0° | 120.0° |
| CAI | CAH | CAG | 113.9° | 120.0° |
| CAI | CAH | CAS | 116.4° | 119.9° |
| CAH | CAG | CAF | 119.5° | 120.3° |
| CAG | CAH | CAS | 116.4° | 120.0° |
| CAH | CAG | HAG | 120.3° | 119.8° |
| CAG | CAF | CAQ | 120.6° | 120.3° |
| CAG | CAF | HAF | 119.7° | 119.9° |
| CAF | CAG | HAG | 120.2° | 119.9° |
| CAH | CAS | CAR | 125.9° | 119.7° |
| CAH | CAS | HAS | 117.0° | 120.2° |
| CAF | CAQ | CAR | 120.4° | 120.0° |
| CAF | CAQ | OAP | 111.9° | 120.1° |
| CAQ | CAF | HAF | 119.7° | 119.9° |
| CAS | CAR | CAQ | 116.8° | 119.8° |
| CAS | CAR | CAZ | 118.4° | 120.1° |
| CAR | CAS | HAS | 117.0° | 120.1° |
| CAR | CAQ | OAP | 112.9° | 120.0° |
| CAQ | CAR | CAZ | 124.7° | 120.1° |
| CAQ | OAP | HOAP | 109.5° | 114.0° |
| CAR | CAZ | NAY | 103.6° | 120.0° |
| CAR | CAZ | HAZ | 128.2° | 120.0° |
| CAZ | NAY | CAX | 148.6° | 120.0° |
| NAY | CAZ | HAZ | 128.2° | 120.0° |
| NAY | CAX | CAW | 133.9° | 109.5° |
| NAY | CAX | HAX | 102.0° | 109.5° |
| NAY | CAX | HAXA | 102.0° | 109.5° |
| CAX | CAW | NAV | 113.5° | 109.5° |
| CAX | CAW | HAW | 108.1° | 109.4° |
| CAX | CAW | HAWA | 108.2° | 109.4° |
| CAW | CAX | HAX | 102.0° | 109.5° |
| CAW | CAX | HAXA | 102.0° | 109.4° |
| OAO | CAN | CAE | 119.9° | 120.1° |
| OAO | CAN | CAM | 120.2° | 120.0° |
| CAN | OAO | HOAO | 109.5° | 114.0° |
| CAW | NAV | CAU | 123.0° | 120.0° |
| NAV | CAW | HAW | 108.2° | 109.5° |
| NAV | CAW | HAWA | 108.2° | 109.5° |
| NAV | CAU | CAM | 124.5° | 120.0° |
| NAV | CAU | HAU | 117.8° | 120.0° |
| CAE | CAN | CAM | 119.9° | 119.9° |
| CAN | CAE | CAD | 120.0° | 120.3° |
| CAN | CAE | HAE | 120.0° | 119.8° |
| CAN | CAM | CAU | 119.6° | 120.1° |
| CAN | CAM | CAL | 120.2° | 119.8° |
| CAE | CAD | CAC | 119.9° | 120.3° |
| CAE | CAD | HAD | 120.0° | 119.9° |
| CAD | CAE | HAE | 120.0° | 119.9° |
| CAU | CAM | CAL | 120.1° | 120.1° |
| CAM | CAU | HAU | 117.8° | 120.0° |
| CAM | CAL | CAC | 119.8° | 119.8° |
| CAM | CAL | HAL | 120.1° | 120.1° |
| CAD | CAC | CAL | 120.2° | 120.0° |
| CAD | CAC | CAB | 119.5° | 120.0° |
| CAC | CAD | HAD | 120.0° | 119.8° |
| CAL | CAC | CAB | 120.4° | 120.0° |
| CAC | CAL | HAL | 120.1° | 120.1° |
| CAC | CAB | NAA | 119.8° | 119.9° |
| CAC | CAB | NAK | 120.3° | 120.0° |
| NAA | CAB | NAK | 119.9° | 120.0° |
| CAB | NAA | HNAA | 120.0° | 119.9° |
| CAB | NAA | HNAB | 120.0° | 120.0° |
| CAB | NAK | HNAK | 112.0° | 120.0° |
| HNAA | NAA | HNAB | 120.0° | 120.1° |
| HNAT | NAT | HNAC | 120.0° | 120.0° |
| HAW | CAW | HAWA | 110.7° | 109.5° |
| HAX | CAX | HAXA | 115.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | CAI | NAT | CAH | 177.3° | 180.0° |
| NAJ | CAI | CAH | CAG | 19.0° | 180.0° |
| NAJ | CAI | CAH | CAS | 158.7° | 0.0° |
| NAJ | CAI | NAT | HNAT | 177.3° | 180.0° |
| NAJ | CAI | NAT | HNAC | 2.7° | 0.0° |
| NAT | CAI | CAH | CAG | 158.7° | 0.0° |
| NAT | CAI | CAH | CAS | 19.0° | 180.0° |
| NAT | CAI | NAJ | HNAJ | 177.2° | 180.0° |
| CAI | NAT | HNAT | HNAC | 180.0° | 180.0° |
| CAI | CAH | CAG | CAS | 139.7° | 180.0° |
| CAI | CAH | CAG | CAF | 143.5° | 180.0° |
| CAI | CAH | CAS | CAR | 146.7° | 179.7° |
| CAI | CAH | CAG | HAG | 36.5° | 0.0° |
| CAH | CAI | NAJ | HNAJ | 0.0° | 0.0° |
| CAI | CAH | CAS | HAS | 33.3° | 0.0° |
| CAH | CAI | NAT | HNAT | 0.0° | 0.0° |
| CAH | CAI | NAT | HNAC | 180.0° | 180.0° |
| CAH | CAG | CAF | HAG | 180.0° | 180.0° |
| CAH | CAG | CAF | CAQ | 0.1° | 0.0° |
| CAG | CAH | CAS | CAR | 8.0° | 0.2° |
| CAH | CAG | CAF | HAF | 179.9° | 179.7° |
| CAG | CAH | CAS | HAS | 172.0° | 180.0° |
| CAF | CAG | CAH | CAS | 3.8° | 0.0° |
| CAG | CAF | CAQ | HAF | 180.0° | 179.7° |
| CAG | CAF | CAQ | CAR | 0.8° | 0.3° |
| CAG | CAF | CAQ | OAP | 135.6° | 179.8° |
| CAH | CAS | CAR | HAS | 180.0° | 179.7° |
| CAH | CAS | CAR | CAQ | 7.4° | 0.5° |
| CAH | CAS | CAR | CAZ | 177.6° | 180.0° |
| CAS | CAH | CAG | HAG | 176.2° | 180.0° |
| CAF | CAQ | CAR | CAS | 2.8° | 0.5° |
| CAF | CAQ | CAR | OAP | 136.0° | 180.0° |
| CAF | CAQ | CAR | CAZ | 177.4° | 180.0° |
| CAQ | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAQ | OAP | HOAP | 180.0° | 84.9° |
| CAS | CAR | CAQ | CAZ | 174.6° | 179.5° |
| CAS | CAR | CAQ | OAP | 138.7° | 179.5° |
| CAS | CAR | CAZ | NAY | 144.6° | 29.4° |
| CAS | CAR | CAZ | HAZ | 35.4° | 150.6° |
| CAQ | CAR | CAZ | NAY | 40.9° | 150.1° |
| CAR | CAQ | CAF | HAF | 179.2° | 180.0° |
| CAR | CAQ | OAP | HOAP | 40.3° | 95.0° |
| CAQ | CAR | CAS | HAS | 172.5° | 179.7° |
| CAQ | CAR | CAZ | HAZ | 139.1° | 29.9° |
| OAP | CAQ | CAR | CAZ | 46.7° | 0.0° |
| OAP | CAQ | CAF | HAF | 44.4° | 0.1° |
| CAR | CAZ | NAY | HAZ | 180.0° | 179.9° |
| CAR | CAZ | NAY | CAX | 77.6° | 13.7° |
| CAZ | CAR | CAS | HAS | 2.4° | 0.3° |
| CAZ | NAY | CAX | CAW | 178.6° | 123.6° |
| CAZ | NAY | CAX | HAX | 61.4° | 3.6° |
| CAZ | NAY | CAX | HAXA | 58.6° | 116.4° |
| NAY | CAX | CAW | HAX | 120.0° | 120.0° |
| NAY | CAX | CAW | HAXA | 120.0° | 120.0° |
| NAY | CAX | CAW | NAV | 111.9° | 175.1° |
| NAY | CAX | CAW | HAW | 128.2° | 64.9° |
| NAY | CAX | CAW | HAWA | 8.2° | 55.1° |
| NAY | CAX | HAX | HAXA | 109.8° | 120.0° |
| CAX | NAY | CAZ | HAZ | 102.4° | 166.2° |
| CAX | CAW | NAV | HAW | 120.0° | 119.9° |
| CAX | CAW | NAV | HAWA | 120.0° | 120.0° |
| CAX | CAW | NAV | CAU | 163.5° | 115.0° |
| CAX | CAW | HAW | HAWA | 118.4° | 120.0° |
| CAW | CAX | HAX | HAXA | 109.8° | 120.0° |
| OAO | CAN | CAE | CAM | 178.9° | 179.7° |
| OAO | CAN | CAE | CAD | 178.7° | 179.9° |
| OAO | CAN | CAM | CAU | 4.1° | 0.0° |
| OAO | CAN | CAM | CAL | 178.5° | 179.9° |
| OAO | CAN | CAE | HAE | 1.3° | 0.0° |
| CAW | NAV | CAU | CAM | 100.6° | 180.0° |
| CAW | NAV | CAU | HAU | 79.4° | 0.1° |
| NAV | CAW | HAW | HAWA | 118.4° | 120.1° |
| NAV | CAW | CAX | HAX | 8.1° | 55.1° |
| NAV | CAW | CAX | HAXA | 128.2° | 64.9° |
| NAV | CAU | CAM | CAN | 1.7° | 0.1° |
| NAV | CAU | CAM | HAU | 180.0° | 179.9° |
| NAV | CAU | CAM | CAL | 179.1° | 180.0° |
| CAU | NAV | CAW | HAW | 43.5° | 125.1° |
| CAU | NAV | CAW | HAWA | 76.5° | 5.0° |
| CAN | CAE | CAD | HAE | 180.0° | 180.0° |
| CAE | CAN | CAM | CAU | 177.0° | 179.7° |
| CAE | CAN | CAM | CAL | 0.4° | 0.3° |
| CAN | CAE | CAD | CAC | 0.0° | 0.0° |
| CAN | CAE | CAD | HAD | 180.0° | 180.0° |
| CAE | CAN | OAO | HOAO | 180.0° | 89.9° |
| CAM | CAN | CAE | CAD | 0.2° | 0.3° |
| CAN | CAM | CAU | CAL | 177.4° | 179.9° |
| CAN | CAM | CAL | CAC | 0.4° | 0.1° |
| CAM | CAN | CAE | HAE | 179.8° | 179.7° |
| CAN | CAM | CAL | HAL | 179.7° | 179.9° |
| CAM | CAN | OAO | HOAO | 1.0° | 89.8° |
| CAN | CAM | CAU | HAU | 178.3° | 180.0° |
| CAE | CAD | CAC | HAD | 180.0° | 180.0° |
| CAE | CAD | CAC | CAL | 0.1° | 0.2° |
| CAE | CAD | CAC | CAB | 179.5° | 180.0° |
| CAU | CAM | CAL | CAC | 177.0° | 180.0° |
| CAU | CAM | CAL | HAL | 3.0° | 0.0° |
| CAM | CAL | CAC | CAD | 0.1° | 0.2° |
| CAM | CAL | CAC | HAL | 180.0° | 180.0° |
| CAM | CAL | CAC | CAB | 179.3° | 180.0° |
| CAL | CAM | CAU | HAU | 0.9° | 0.1° |
| CAD | CAC | CAL | CAB | 179.5° | 179.8° |
| CAD | CAC | CAB | NAA | 8.0° | 0.0° |
| CAD | CAC | CAB | NAK | 171.9° | 180.0° |
| CAC | CAD | CAE | HAE | 180.0° | 180.0° |
| CAD | CAC | CAL | HAL | 179.9° | 179.8° |
| CAL | CAC | CAB | NAA | 171.5° | 179.7° |
| CAL | CAC | CAB | NAK | 8.7° | 0.3° |
| CAL | CAC | CAD | HAD | 179.9° | 179.8° |
| CAC | CAB | NAA | NAK | 179.8° | 180.0° |
| CAC | CAB | NAA | HNAA | 179.8° | 180.0° |
| CAC | CAB | NAA | HNAB | 0.2° | 0.3° |
| CAB | CAC | CAD | HAD | 0.5° | 0.0° |
| CAC | CAB | NAK | HNAK | 179.8° | 180.0° |
| CAB | CAC | CAL | HAL | 0.6° | 0.0° |
| CAB | NAA | HNAA | HNAB | 180.0° | 179.7° |
| NAA | CAB | NAK | HNAK | 0.0° | 0.0° |
| NAK | CAB | NAA | HNAA | 0.0° | 0.0° |
| NAK | CAB | NAA | HNAB | 180.0° | 179.7° |
| HAD | CAD | CAE | HAE | 0.0° | 0.0° |
| HAF | CAF | CAG | HAG | 0.1° | 0.3° |
| HAW | CAW | CAX | HAX | 111.8° | 175.0° |
| HAW | CAW | CAX | HAXA | 8.2° | 55.1° |
| HAWA | CAW | CAX | HAX | 128.2° | 65.0° |
| HAWA | CAW | CAX | HAXA | 111.8° | 175.1° |
