1DV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAH | sing | 1.51Å | 1.54Å | |
| CAE | CAH | doub | 1.35Å | 1.33Å | Aromatic |
| CAE | CAI | sing | 1.40Å | 1.34Å | Aromatic |
| CAH | NAG | sing | 1.35Å | 1.33Å | Aromatic |
| FAD | CAJ | sing | 1.40Å | 1.32Å | |
| CAI | CAJ | sing | 1.51Å | 1.54Å | |
| CAI | NAF | doub | 1.31Å | 1.33Å | Aromatic |
| CAJ | FAB | sing | 1.40Å | 1.33Å | |
| CAJ | FAC | sing | 1.40Å | 1.31Å | |
| NAG | NAF | sing | 1.40Å | 1.25Å | Aromatic |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| NAG | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAH | CAE | 126.0° | 126.2° |
| CAA | CAH | NAG | 124.7° | 126.1° |
| CAH | CAA | H2 | 109.5° | 109.5° |
| CAH | CAA | H3 | 109.4° | 109.5° |
| CAH | CAA | H4 | 109.5° | 109.5° |
| CAH | CAE | CAI | 103.5° | 108.0° |
| CAE | CAH | NAG | 109.2° | 107.7° |
| CAH | CAE | H1 | 128.2° | 126.0° |
| CAE | CAI | CAJ | 124.6° | 125.9° |
| CAE | CAI | NAF | 110.0° | 108.2° |
| CAI | CAE | H1 | 128.3° | 126.0° |
| CAH | NAG | NAF | 109.6° | 107.9° |
| CAH | NAG | H5 | 125.2° | 126.0° |
| FAD | CAJ | CAI | 108.3° | 109.5° |
| FAD | CAJ | FAB | 108.7° | 109.5° |
| FAD | CAJ | FAC | 108.7° | 109.5° |
| CAJ | CAI | NAF | 125.4° | 125.9° |
| CAI | CAJ | FAB | 112.3° | 109.5° |
| CAI | CAJ | FAC | 109.4° | 109.5° |
| CAI | NAF | NAG | 107.7° | 108.2° |
| FAB | CAJ | FAC | 109.4° | 109.4° |
| NAF | NAG | H5 | 125.3° | 126.0° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAH | CAE | NAG | 179.8° | 179.9° |
| CAA | CAH | CAE | CAI | 179.4° | 180.0° |
| CAA | CAH | NAG | NAF | 179.5° | 179.7° |
| CAA | CAH | CAE | H1 | 0.6° | 0.2° |
| CAH | CAA | H2 | H3 | 120.0° | 120.1° |
| CAH | CAA | H2 | H4 | 120.0° | 120.0° |
| CAH | CAA | H3 | H4 | 120.0° | 120.0° |
| CAA | CAH | NAG | H5 | 0.4° | 0.0° |
| CAH | CAE | CAI | H1 | 180.0° | 179.9° |
| CAH | CAE | CAI | CAJ | 178.3° | 180.0° |
| CAH | CAE | CAI | NAF | 1.3° | 0.3° |
| CAE | CAH | NAG | NAF | 0.6° | 0.2° |
| CAE | CAH | CAA | H2 | 90.1° | 89.9° |
| CAE | CAH | CAA | H3 | 149.9° | 150.0° |
| CAE | CAH | CAA | H4 | 29.9° | 30.1° |
| CAE | CAH | NAG | H5 | 179.4° | 179.9° |
| CAI | CAE | CAH | NAG | 0.4° | 0.1° |
| CAE | CAI | CAJ | FAD | 25.7° | 54.7° |
| CAE | CAI | CAJ | NAF | 176.5° | 179.7° |
| CAE | CAI | CAJ | FAB | 94.3° | 174.7° |
| CAE | CAI | CAJ | FAC | 144.0° | 65.3° |
| CAE | CAI | NAF | NAG | 1.7° | 0.4° |
| CAH | NAG | NAF | CAI | 1.4° | 0.4° |
| CAH | NAG | NAF | H5 | 180.0° | 179.8° |
| NAG | CAH | CAE | H1 | 179.6° | 179.9° |
| NAG | CAH | CAA | H2 | 90.1° | 89.9° |
| NAG | CAH | CAA | H3 | 29.9° | 30.1° |
| NAG | CAH | CAA | H4 | 149.9° | 150.1° |
| FAD | CAJ | CAI | FAB | 120.0° | 120.0° |
| FAD | CAJ | CAI | FAC | 118.3° | 120.0° |
| FAD | CAJ | CAI | NAF | 150.8° | 125.0° |
| FAD | CAJ | FAB | FAC | 118.5° | 120.0° |
| CAI | CAJ | FAB | FAC | 121.7° | 120.0° |
| CAJ | CAI | NAF | NAG | 178.7° | 179.9° |
| CAJ | CAI | CAE | H1 | 1.7° | 0.1° |
| NAF | CAI | CAJ | FAB | 89.1° | 5.0° |
| NAF | CAI | CAJ | FAC | 32.5° | 115.0° |
| NAF | CAI | CAE | H1 | 178.7° | 179.8° |
| CAI | NAF | NAG | H5 | 178.6° | 179.9° |
| H2 | CAA | H3 | H4 | 120.0° | 120.0° |
