0R1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| OAG | CAI | sing | 1.35Å | 1.35Å | Aromatic |
| OAG | NAF | sing | 1.41Å | 1.38Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.41Å | 1.40Å | Aromatic |
| NAF | CAE | doub | 1.30Å | 1.33Å | Aromatic |
| CAA | CAC | doub | 1.37Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.47Å | 1.32Å | Aromatic |
| CAH | CAC | sing | 1.40Å | 1.38Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAD | CAI | 118.7° | 119.8° |
| CAD | CAB | CAA | 121.1° | 120.5° |
| CAB | CAD | H1 | 120.6° | 120.1° |
| CAD | CAB | H2 | 119.5° | 119.7° |
| CAD | CAI | OAG | 132.1° | 133.4° |
| CAD | CAI | CAH | 120.6° | 119.4° |
| CAI | CAD | H1 | 120.6° | 120.1° |
| CAI | OAG | NAF | 106.6° | 109.3° |
| OAG | CAI | CAH | 107.3° | 107.1° |
| OAG | NAF | CAE | 109.1° | 109.7° |
| CAB | CAA | CAC | 120.1° | 120.6° |
| CAA | CAB | H2 | 119.5° | 119.7° |
| CAB | CAA | H3 | 119.9° | 119.7° |
| CAI | CAH | CAE | 107.9° | 106.4° |
| CAI | CAH | CAC | 120.7° | 119.8° |
| NAF | CAE | CAH | 109.0° | 107.5° |
| NAF | CAE | H5 | 125.5° | 126.3° |
| CAA | CAC | CAH | 118.8° | 119.8° |
| CAC | CAA | H3 | 119.9° | 119.7° |
| CAA | CAC | H4 | 120.6° | 120.1° |
| CAE | CAH | CAC | 131.3° | 133.8° |
| CAH | CAE | H5 | 125.5° | 126.3° |
| CAH | CAC | H4 | 120.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAD | CAI | H1 | 180.0° | 179.9° |
| CAB | CAD | CAI | OAG | 179.3° | 179.6° |
| CAD | CAB | CAA | H2 | 180.0° | 180.0° |
| CAB | CAD | CAI | CAH | 0.1° | 0.0° |
| CAD | CAB | CAA | CAC | 0.3° | 0.0° |
| CAD | CAB | CAA | H3 | 179.7° | 180.0° |
| CAD | CAI | OAG | CAH | 179.5° | 179.6° |
| CAD | CAI | OAG | NAF | 179.6° | 180.0° |
| CAI | CAD | CAB | CAA | 0.2° | 0.0° |
| CAD | CAI | CAH | CAE | 179.9° | 179.9° |
| CAD | CAI | CAH | CAC | 0.1° | 0.0° |
| CAI | CAD | CAB | H2 | 179.8° | 180.0° |
| CAI | OAG | NAF | CAE | 0.9° | 0.3° |
| OAG | CAI | CAH | CAE | 0.5° | 0.2° |
| OAG | CAI | CAH | CAC | 179.5° | 179.7° |
| OAG | CAI | CAD | H1 | 0.7° | 0.4° |
| NAF | OAG | CAI | CAH | 0.9° | 0.4° |
| OAG | NAF | CAE | CAH | 0.6° | 0.2° |
| OAG | NAF | CAE | H5 | 179.4° | 179.8° |
| CAB | CAA | CAC | H3 | 180.0° | 180.0° |
| CAB | CAA | CAC | CAH | 0.3° | 0.0° |
| CAA | CAB | CAD | H1 | 179.8° | 180.0° |
| CAB | CAA | CAC | H4 | 179.7° | 180.0° |
| CAI | CAH | CAE | NAF | 0.0° | 0.0° |
| CAI | CAH | CAC | CAA | 0.1° | 0.0° |
| CAI | CAH | CAE | CAC | 180.0° | 179.9° |
| CAH | CAI | CAD | H1 | 179.9° | 180.0° |
| CAI | CAH | CAC | H4 | 179.9° | 180.0° |
| CAI | CAH | CAE | H5 | 180.0° | 180.0° |
| NAF | CAE | CAH | H5 | 180.0° | 179.9° |
| NAF | CAE | CAH | CAC | 179.9° | 179.9° |
| CAA | CAC | CAH | CAE | 179.8° | 180.0° |
| CAA | CAC | CAH | H4 | 180.0° | 180.0° |
| CAC | CAA | CAB | H2 | 179.7° | 180.0° |
| CAE | CAH | CAC | H4 | 0.2° | 0.1° |
| CAH | CAC | CAA | H3 | 179.7° | 180.0° |
| CAC | CAH | CAE | H5 | 0.1° | 0.0° |
| H1 | CAD | CAB | H2 | 0.2° | 0.0° |
| H2 | CAB | CAA | H3 | 0.3° | 0.0° |
| H3 | CAA | CAC | H4 | 0.2° | 0.0° |
