0CT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAF | NAE | sing | 1.40Å | 1.26Å | Aromatic |
| NAF | CAH | sing | 1.37Å | 1.35Å | Aromatic |
| CAC | CAH | doub | 1.39Å | 1.37Å | Aromatic |
| CAC | CAA | sing | 1.38Å | 1.37Å | Aromatic |
| NAE | NAG | doub | 1.29Å | 1.27Å | Aromatic |
| CAH | CAI | sing | 1.41Å | 1.38Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| NAG | CAI | sing | 1.35Å | 1.33Å | Aromatic |
| CAI | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.36Å | 1.44Å | Aromatic |
| NAF | H1 | sing | 0.97Å | 1.00Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.08Å | 1.08Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAE | NAF | CAH | 106.4° | 106.5° |
| NAF | NAE | NAG | 113.5° | 109.4° |
| NAE | NAF | H1 | 126.8° | 126.8° |
| NAF | CAH | CAC | 132.9° | 134.0° |
| NAF | CAH | CAI | 107.1° | 106.1° |
| CAH | NAF | H1 | 126.8° | 126.7° |
| CAH | CAC | CAA | 125.9° | 119.7° |
| CAC | CAH | CAI | 120.0° | 119.9° |
| CAH | CAC | H2 | 117.0° | 120.2° |
| CAC | CAA | CAB | 114.2° | 120.4° |
| CAA | CAC | H2 | 117.1° | 120.1° |
| CAC | CAA | H3 | 122.9° | 119.8° |
| NAE | NAG | CAI | 108.6° | 110.3° |
| CAH | CAI | NAG | 104.4° | 107.6° |
| CAH | CAI | CAD | 118.5° | 119.3° |
| CAA | CAB | CAD | 122.5° | 120.8° |
| CAB | CAA | H3 | 122.9° | 119.8° |
| CAA | CAB | H4 | 118.8° | 119.6° |
| NAG | CAI | CAD | 137.1° | 133.1° |
| CAI | CAD | CAB | 118.9° | 119.9° |
| CAI | CAD | H5 | 120.6° | 120.0° |
| CAD | CAB | H4 | 118.8° | 119.6° |
| CAB | CAD | H5 | 120.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAE | NAF | CAH | H1 | 180.0° | 179.8° |
| NAE | NAF | CAH | CAC | 176.8° | 180.0° |
| NAE | NAF | CAH | CAI | 0.7° | 0.0° |
| NAF | NAE | NAG | CAI | 2.7° | 0.0° |
| NAF | CAH | CAC | CAI | 177.3° | 180.0° |
| NAF | CAH | CAC | CAA | 177.5° | 180.0° |
| CAH | NAF | NAE | NAG | 2.1° | 0.0° |
| NAF | CAH | CAI | NAG | 0.9° | 0.0° |
| NAF | CAH | CAI | CAD | 179.1° | 180.0° |
| NAF | CAH | CAC | H2 | 2.5° | 0.1° |
| CAH | CAC | CAA | H2 | 180.0° | 179.9° |
| CAH | CAC | CAA | CAB | 0.3° | 0.0° |
| CAC | CAH | CAI | NAG | 178.7° | 180.0° |
| CAC | CAH | CAI | CAD | 1.2° | 0.0° |
| CAC | CAH | NAF | H1 | 3.2° | 0.2° |
| CAH | CAC | CAA | H3 | 179.7° | 180.0° |
| CAA | CAC | CAH | CAI | 0.3° | 0.0° |
| CAC | CAA | CAB | H3 | 180.0° | 180.0° |
| CAC | CAA | CAB | CAD | 1.3° | 0.0° |
| CAC | CAA | CAB | H4 | 178.7° | 179.9° |
| NAE | NAG | CAI | CAH | 2.1° | 0.0° |
| NAE | NAG | CAI | CAD | 177.8° | 180.0° |
| NAG | NAE | NAF | H1 | 177.9° | 179.8° |
| CAH | CAI | NAG | CAD | 179.9° | 180.0° |
| CAH | CAI | CAD | CAB | 2.1° | 0.0° |
| CAI | CAH | NAF | H1 | 179.3° | 179.8° |
| CAI | CAH | CAC | H2 | 179.7° | 179.9° |
| CAH | CAI | CAD | H5 | 177.8° | 179.9° |
| CAA | CAB | CAD | CAI | 2.3° | 0.0° |
| CAA | CAB | CAD | H4 | 180.0° | 179.9° |
| CAB | CAA | CAC | H2 | 179.7° | 179.9° |
| CAA | CAB | CAD | H5 | 177.7° | 179.9° |
| NAG | CAI | CAD | CAB | 177.8° | 180.0° |
| NAG | CAI | CAD | H5 | 2.3° | 0.1° |
| CAI | CAD | CAB | H5 | 180.0° | 179.9° |
| CAI | CAD | CAB | H4 | 177.7° | 179.9° |
| CAD | CAB | CAA | H3 | 178.7° | 180.0° |
| H2 | CAC | CAA | H3 | 0.3° | 0.1° |
| H3 | CAA | CAB | H4 | 1.3° | 0.1° |
| H4 | CAB | CAD | H5 | 2.3° | 0.0° |
