0CU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLB | CAI | sing | 1.74Å | 1.73Å | |
| NAG | NAE | sing | 1.29Å | 1.23Å | Aromatic |
| NAG | CAK | sing | 1.37Å | 1.31Å | Aromatic |
| NAE | NAF | doub | 1.29Å | 1.24Å | Aromatic |
| CAI | CAK | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAJ | sing | 1.41Å | 1.38Å | Aromatic |
| NAF | CAJ | sing | 1.35Å | 1.32Å | Aromatic |
| CAC | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAD | doub | 1.40Å | 1.37Å | Aromatic |
| CAH | CAD | sing | 1.37Å | 1.37Å | Aromatic |
| CAH | CLA | sing | 1.74Å | 1.68Å | |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLB | CAI | CAK | 121.5° | 120.2° |
| CLB | CAI | CAC | 120.0° | 120.2° |
| NAE | NAG | CAK | 109.0° | 108.2° |
| NAG | NAE | NAF | 112.5° | 111.8° |
| NAE | NAG | H1 | 125.5° | 125.9° |
| NAG | CAK | CAI | 133.5° | 135.0° |
| NAG | CAK | CAJ | 104.7° | 105.2° |
| CAK | NAG | H1 | 125.5° | 125.9° |
| NAE | NAF | CAJ | 108.7° | 109.2° |
| CAK | CAI | CAC | 118.5° | 119.7° |
| CAI | CAK | CAJ | 121.8° | 119.7° |
| CAI | CAC | CAH | 118.0° | 120.5° |
| CAI | CAC | H3 | 121.0° | 119.7° |
| CAK | CAJ | NAF | 105.1° | 105.6° |
| CAK | CAJ | CAD | 121.0° | 119.6° |
| NAF | CAJ | CAD | 134.0° | 134.8° |
| CAC | CAH | CAD | 124.8° | 120.7° |
| CAC | CAH | CLA | 116.9° | 119.6° |
| CAH | CAC | H3 | 121.0° | 119.8° |
| CAJ | CAD | CAH | 116.0° | 119.8° |
| CAJ | CAD | H2 | 122.0° | 120.1° |
| CAD | CAH | CLA | 118.3° | 119.6° |
| CAH | CAD | H2 | 122.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLB | CAI | CAK | NAG | 0.6° | 0.4° |
| CLB | CAI | CAK | CAC | 180.0° | 179.5° |
| CLB | CAI | CAK | CAJ | 179.8° | 179.9° |
| CLB | CAI | CAC | CAH | 179.3° | 180.0° |
| CLB | CAI | CAC | H3 | 0.7° | 0.4° |
| NAE | NAG | CAK | H1 | 180.0° | 180.0° |
| NAE | NAG | CAK | CAI | 180.0° | 179.7° |
| NAE | NAG | CAK | CAJ | 0.3° | 0.0° |
| NAG | NAE | NAF | CAJ | 0.3° | 0.0° |
| CAK | NAG | NAE | NAF | 0.0° | 0.0° |
| NAG | CAK | CAI | CAJ | 179.6° | 179.7° |
| NAG | CAK | CAI | CAC | 179.4° | 179.8° |
| NAG | CAK | CAJ | NAF | 0.5° | 0.0° |
| NAG | CAK | CAJ | CAD | 179.0° | 180.0° |
| NAE | NAF | CAJ | CAK | 0.5° | 0.0° |
| NAE | NAF | CAJ | CAD | 179.0° | 180.0° |
| NAF | NAE | NAG | H1 | 180.0° | 180.0° |
| CAI | CAK | CAJ | NAF | 179.8° | 179.8° |
| CAK | CAI | CAC | CAH | 0.7° | 0.5° |
| CAI | CAK | CAJ | CAD | 0.6° | 0.2° |
| CAI | CAK | NAG | H1 | 0.0° | 0.3° |
| CAK | CAI | CAC | H3 | 179.3° | 179.8° |
| CAC | CAI | CAK | CAJ | 0.2° | 0.5° |
| CAI | CAC | CAH | H3 | 180.0° | 179.7° |
| CAI | CAC | CAH | CAD | 1.7° | 0.3° |
| CAI | CAC | CAH | CLA | 179.8° | 179.8° |
| CAK | CAJ | NAF | CAD | 179.5° | 179.9° |
| CAK | CAJ | CAD | CAH | 1.5° | 0.0° |
| CAJ | CAK | NAG | H1 | 179.7° | 180.0° |
| CAK | CAJ | CAD | H2 | 178.5° | 180.0° |
| NAF | CAJ | CAD | CAH | 179.1° | 180.0° |
| NAF | CAJ | CAD | H2 | 0.9° | 0.1° |
| CAC | CAH | CAD | CAJ | 2.1° | 0.0° |
| CAC | CAH | CAD | CLA | 178.0° | 180.0° |
| CAC | CAH | CAD | H2 | 177.9° | 180.0° |
| CAJ | CAD | CAH | H2 | 180.0° | 180.0° |
| CAJ | CAD | CAH | CLA | 179.9° | 180.0° |
| CAD | CAH | CAC | H3 | 178.3° | 180.0° |
| CLA | CAH | CAD | H2 | 0.1° | 0.0° |
| CLA | CAH | CAC | H3 | 0.2° | 0.1° |
