AXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAL | sing | 1.51Å | 1.53Å | |
| CAL | NAM | sing | 1.33Å | 1.33Å | Aromatic |
| CAL | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| NAM | CAJ | doub | 1.32Å | 1.33Å | Aromatic |
| NAK | NAI | sing | 1.40Å | 1.23Å | Aromatic |
| NAI | CAJ | sing | 1.37Å | 1.39Å | Aromatic |
| NAI | CAH | sing | 1.37Å | 1.40Å | Aromatic |
| CAJ | CAE | sing | 1.47Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| CAE | CAD | doub | 1.41Å | 1.39Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | NAG | sing | 1.35Å | 1.34Å | Aromatic |
| NAG | CAH | doub | 1.31Å | 1.34Å | Aromatic |
| CAH | SAO | sing | 1.76Å | 1.75Å | |
| SAO | CAP | sing | 1.81Å | 1.83Å | |
| CAP | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | NAU | doub | 1.30Å | 1.33Å | Aromatic |
| CAQ | NAR | sing | 1.36Å | 1.34Å | Aromatic |
| NAU | CAT | sing | 1.36Å | 1.33Å | Aromatic |
| CAT | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAY | CAX | doub | 1.37Å | 1.39Å | Aromatic |
| CAX | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAS | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | NAR | sing | 1.38Å | 1.33Å | Aromatic |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAL | NAM | 125.6° | 125.2° |
| CAN | CAL | NAK | 123.5° | 125.2° |
| CAL | CAN | HAN1 | 109.5° | 109.5° |
| CAL | CAN | HAN2 | 109.5° | 109.5° |
| CAL | CAN | HAN3 | 109.4° | 109.5° |
| NAM | CAL | NAK | 110.8° | 109.5° |
| CAL | NAM | CAJ | 104.5° | 109.6° |
| CAL | NAK | NAI | 108.3° | 107.1° |
| NAM | CAJ | NAI | 107.6° | 107.8° |
| NAM | CAJ | CAE | 134.0° | 134.5° |
| NAK | NAI | CAJ | 108.8° | 105.9° |
| NAK | NAI | CAH | 131.8° | 133.8° |
| CAJ | NAI | CAH | 119.4° | 120.2° |
| NAI | CAJ | CAE | 118.4° | 117.8° |
| NAI | CAH | NAG | 120.7° | 122.8° |
| NAI | CAH | SAO | 119.0° | 118.6° |
| CAJ | CAE | CAF | 119.8° | 122.0° |
| CAJ | CAE | CAD | 120.1° | 117.9° |
| CAF | CAE | CAD | 120.0° | 120.0° |
| CAE | CAF | CAA | 119.9° | 119.6° |
| CAE | CAF | HAF | 120.1° | 120.2° |
| CAE | CAD | CAC | 119.8° | 119.3° |
| CAE | CAD | NAG | 120.7° | 119.3° |
| CAF | CAA | CAB | 120.4° | 120.5° |
| CAA | CAF | HAF | 120.1° | 120.2° |
| CAF | CAA | HAA | 119.8° | 119.8° |
| CAA | CAB | CAC | 119.8° | 120.9° |
| CAB | CAA | HAA | 119.8° | 119.7° |
| CAA | CAB | HAB | 120.1° | 119.6° |
| CAB | CAC | CAD | 120.0° | 119.7° |
| CAC | CAB | HAB | 120.1° | 119.6° |
| CAB | CAC | HAC | 120.0° | 120.2° |
| CAC | CAD | NAG | 119.4° | 121.4° |
| CAD | CAC | HAC | 120.0° | 120.1° |
| CAD | NAG | CAH | 120.7° | 121.9° |
| NAG | CAH | SAO | 120.4° | 118.6° |
| CAH | SAO | CAP | 100.9° | 100.0° |
| SAO | CAP | CAQ | 112.4° | 109.5° |
| SAO | CAP | HAP1 | 108.5° | 109.5° |
| SAO | CAP | HAP2 | 107.9° | 109.5° |
| CAP | CAQ | NAU | 124.9° | 125.0° |
| CAP | CAQ | NAR | 126.3° | 124.9° |
| CAQ | CAP | HAP1 | 108.5° | 109.4° |
| CAQ | CAP | HAP2 | 107.8° | 109.5° |
| NAU | CAQ | NAR | 108.8° | 110.1° |
| CAQ | NAU | CAT | 108.5° | 109.6° |
| CAQ | NAR | CAS | 108.4° | 107.3° |
| CAQ | NAR | HAR | 125.8° | 126.4° |
| NAU | CAT | CAY | 132.3° | 133.6° |
| NAU | CAT | CAS | 107.2° | 107.0° |
| CAY | CAT | CAS | 120.5° | 119.5° |
| CAT | CAY | CAX | 119.2° | 119.9° |
| CAT | CAY | HAY | 120.4° | 120.0° |
| CAT | CAS | CAV | 120.3° | 119.9° |
| CAT | CAS | NAR | 107.1° | 106.0° |
| CAY | CAX | CAW | 120.3° | 120.7° |
| CAX | CAY | HAY | 120.4° | 120.1° |
| CAY | CAX | HAX | 119.8° | 119.7° |
| CAX | CAW | CAV | 120.1° | 120.4° |
| CAW | CAX | HAX | 119.9° | 119.6° |
| CAX | CAW | HAW | 119.9° | 119.8° |
| CAW | CAV | CAS | 119.6° | 119.7° |
| CAV | CAW | HAW | 119.9° | 119.8° |
| CAW | CAV | HAV | 120.2° | 120.2° |
| CAV | CAS | NAR | 132.6° | 134.1° |
| CAS | CAV | HAV | 120.2° | 120.2° |
| CAS | NAR | HAR | 125.8° | 126.4° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.5° |
| HAN2 | CAN | HAN3 | 109.5° | 109.4° |
| HAP1 | CAP | HAP2 | 111.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAL | NAM | NAK | 179.5° | 179.7° |
| CAN | CAL | NAM | CAJ | 179.4° | 180.0° |
| CAN | CAL | NAK | NAI | 179.6° | 180.0° |
| CAL | CAN | HAN1 | HAN2 | 120.0° | 120.1° |
| CAL | CAN | HAN1 | HAN3 | 120.0° | 120.0° |
| CAL | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| NAM | CAL | NAK | NAI | 0.1° | 0.3° |
| CAL | NAM | CAJ | NAI | 0.2° | 0.1° |
| CAL | NAM | CAJ | CAE | 179.9° | 180.0° |
| NAM | CAL | CAN | HAN1 | 152.3° | 90.0° |
| NAM | CAL | CAN | HAN2 | 87.7° | 150.0° |
| NAM | CAL | CAN | HAN3 | 32.3° | 30.0° |
| NAK | CAL | NAM | CAJ | 0.1° | 0.2° |
| CAL | NAK | NAI | CAJ | 0.2° | 0.2° |
| CAL | NAK | NAI | CAH | 179.6° | 180.0° |
| NAK | CAL | CAN | HAN1 | 27.1° | 90.4° |
| NAK | CAL | CAN | HAN2 | 92.9° | 29.7° |
| NAK | CAL | CAN | HAN3 | 147.1° | 149.7° |
| NAM | CAJ | NAI | NAK | 0.3° | 0.1° |
| NAM | CAJ | NAI | CAE | 179.7° | 180.0° |
| NAM | CAJ | NAI | CAH | 179.6° | 179.9° |
| NAM | CAJ | CAE | CAF | 0.2° | 0.0° |
| NAM | CAJ | CAE | CAD | 179.4° | 180.0° |
| NAK | NAI | CAJ | CAH | 179.9° | 179.8° |
| NAK | NAI | CAJ | CAE | 180.0° | 179.9° |
| NAK | NAI | CAH | NAG | 179.7° | 179.9° |
| NAK | NAI | CAH | SAO | 0.0° | 0.1° |
| NAI | CAJ | CAE | CAF | 179.8° | 179.9° |
| NAI | CAJ | CAE | CAD | 0.2° | 0.1° |
| CAJ | NAI | CAH | NAG | 0.2° | 0.4° |
| CAJ | NAI | CAH | SAO | 179.9° | 179.8° |
| CAH | NAI | CAJ | CAE | 0.1° | 0.1° |
| NAI | CAH | NAG | CAD | 0.3° | 0.5° |
| NAI | CAH | NAG | SAO | 179.8° | 179.8° |
| NAI | CAH | SAO | CAP | 176.2° | 180.0° |
| CAJ | CAE | CAF | CAD | 179.5° | 180.0° |
| CAJ | CAE | CAF | CAA | 179.8° | 180.0° |
| CAJ | CAE | CAD | CAC | 179.7° | 180.0° |
| CAJ | CAE | CAD | NAG | 0.1° | 0.0° |
| CAJ | CAE | CAF | HAF | 0.2° | 0.1° |
| CAE | CAF | CAA | HAF | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 0.2° | 0.0° |
| CAF | CAE | CAD | CAC | 0.1° | 0.0° |
| CAF | CAE | CAD | NAG | 179.6° | 180.0° |
| CAE | CAF | CAA | HAA | 179.8° | 180.0° |
| CAD | CAE | CAF | CAA | 0.2° | 0.0° |
| CAE | CAD | CAC | CAB | 0.0° | 0.1° |
| CAE | CAD | CAC | NAG | 179.8° | 180.0° |
| CAE | CAD | NAG | CAH | 0.2° | 0.3° |
| CAD | CAE | CAF | HAF | 179.7° | 179.9° |
| CAE | CAD | CAC | HAC | 180.0° | 179.9° |
| CAF | CAA | CAB | HAA | 180.0° | 179.9° |
| CAF | CAA | CAB | CAC | 0.0° | 0.0° |
| CAF | CAA | CAB | HAB | 179.9° | 179.9° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAB | CAA | CAF | HAF | 179.8° | 179.9° |
| CAA | CAB | CAC | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | NAG | 179.8° | 180.0° |
| CAC | CAB | CAA | HAA | 180.0° | 179.9° |
| CAC | CAD | NAG | CAH | 180.0° | 179.7° |
| CAD | CAC | CAB | HAB | 180.0° | 180.0° |
| CAD | NAG | CAH | SAO | 179.9° | 179.7° |
| NAG | CAD | CAC | HAC | 0.2° | 0.0° |
| NAG | CAH | SAO | CAP | 4.0° | 0.2° |
| CAH | SAO | CAP | CAQ | 97.6° | 180.0° |
| CAH | SAO | CAP | HAP1 | 142.4° | 60.0° |
| CAH | SAO | CAP | HAP2 | 21.1° | 60.0° |
| SAO | CAP | CAQ | HAP1 | 120.0° | 120.0° |
| SAO | CAP | CAQ | HAP2 | 118.8° | 120.1° |
| SAO | CAP | CAQ | NAU | 118.7° | 90.0° |
| SAO | CAP | CAQ | NAR | 61.1° | 90.3° |
| SAO | CAP | HAP1 | HAP2 | 118.8° | 120.1° |
| CAP | CAQ | NAU | NAR | 179.8° | 179.8° |
| CAP | CAQ | NAU | CAT | 180.0° | 180.0° |
| CAP | CAQ | NAR | CAS | 179.9° | 179.9° |
| CAQ | CAP | HAP1 | HAP2 | 118.8° | 119.9° |
| CAP | CAQ | NAR | HAR | 0.1° | 0.0° |
| CAQ | NAU | CAT | CAY | 180.0° | 180.0° |
| CAQ | NAU | CAT | CAS | 0.2° | 0.0° |
| NAU | CAQ | NAR | CAS | 0.1° | 0.4° |
| NAU | CAQ | CAP | HAP1 | 121.3° | 30.0° |
| NAU | CAQ | CAP | HAP2 | 0.1° | 150.0° |
| NAU | CAQ | NAR | HAR | 179.9° | 179.8° |
| NAR | CAQ | NAU | CAT | 0.2° | 0.2° |
| CAQ | NAR | CAS | CAT | 0.0° | 0.4° |
| CAQ | NAR | CAS | CAV | 179.9° | 179.9° |
| CAQ | NAR | CAS | HAR | 180.0° | 179.8° |
| NAR | CAQ | CAP | HAP1 | 58.9° | 149.7° |
| NAR | CAQ | CAP | HAP2 | 179.8° | 29.8° |
| NAU | CAT | CAY | CAS | 179.7° | 180.0° |
| NAU | CAT | CAY | CAX | 179.8° | 180.0° |
| NAU | CAT | CAS | CAV | 179.8° | 180.0° |
| NAU | CAT | CAS | NAR | 0.2° | 0.2° |
| NAU | CAT | CAY | HAY | 0.2° | 0.1° |
| CAT | CAY | CAX | HAY | 180.0° | 179.9° |
| CAT | CAY | CAX | CAW | 0.1° | 0.1° |
| CAY | CAT | CAS | CAV | 0.0° | 0.0° |
| CAY | CAT | CAS | NAR | 179.9° | 179.8° |
| CAT | CAY | CAX | HAX | 179.9° | 180.0° |
| CAS | CAT | CAY | CAX | 0.1° | 0.0° |
| CAT | CAS | CAV | CAW | 0.1° | 0.0° |
| CAT | CAS | CAV | NAR | 180.0° | 179.7° |
| CAT | CAS | NAR | HAR | 180.0° | 179.8° |
| CAS | CAT | CAY | HAY | 179.9° | 180.0° |
| CAT | CAS | CAV | HAV | 179.9° | 179.9° |
| CAY | CAX | CAW | HAX | 180.0° | 180.0° |
| CAY | CAX | CAW | CAV | 0.1° | 0.1° |
| CAY | CAX | CAW | HAW | 179.9° | 180.0° |
| CAX | CAW | CAV | HAW | 180.0° | 180.0° |
| CAX | CAW | CAV | CAS | 0.2° | 0.0° |
| CAW | CAX | CAY | HAY | 180.0° | 180.0° |
| CAX | CAW | CAV | HAV | 179.8° | 180.0° |
| CAW | CAV | CAS | HAV | 180.0° | 179.9° |
| CAW | CAV | CAS | NAR | 179.9° | 179.7° |
| CAV | CAW | CAX | HAX | 179.9° | 180.0° |
| CAV | CAS | NAR | HAR | 0.1° | 0.0° |
| CAS | CAV | CAW | HAW | 179.8° | 180.0° |
| NAR | CAS | CAV | HAV | 0.1° | 0.3° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| HAF | CAF | CAA | HAA | 0.2° | 0.0° |
| HAA | CAA | CAB | HAB | 0.1° | 0.0° |
| HAB | CAB | CAC | HAC | 0.0° | 0.0° |
| HAY | CAY | CAX | HAX | 0.0° | 0.0° |
| HAX | CAX | CAW | HAW | 0.1° | 0.0° |
| HAW | CAW | CAV | HAV | 0.2° | 0.1° |
