TAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.52Å | |
| CAB | CAG | sing | 1.53Å | 1.52Å | |
| CAC | CAG | sing | 1.53Å | 1.52Å | |
| NAD | CAF | sing | 1.35Å | 1.33Å | |
| OAE | CAF | doub | 1.21Å | 1.23Å | |
| CAF | CAG | sing | 1.51Å | 1.52Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAG | CAB | 110.2° | 109.5° |
| CAA | CAG | CAC | 109.6° | 109.5° |
| CAA | CAG | CAF | 107.8° | 109.5° |
| CAG | CAA | HAA | 109.5° | 109.5° |
| CAG | CAA | HAAA | 109.5° | 109.5° |
| CAG | CAA | HAAB | 109.4° | 109.5° |
| CAB | CAG | CAC | 109.8° | 109.5° |
| CAB | CAG | CAF | 108.3° | 109.5° |
| CAG | CAB | HAB | 109.5° | 109.5° |
| CAG | CAB | HABA | 109.5° | 109.5° |
| CAG | CAB | HABB | 109.5° | 109.5° |
| CAC | CAG | CAF | 111.0° | 109.5° |
| CAG | CAC | HAC | 109.5° | 109.5° |
| CAG | CAC | HACA | 109.5° | 109.5° |
| CAG | CAC | HACB | 109.4° | 109.5° |
| NAD | CAF | OAE | 121.7° | 120.0° |
| NAD | CAF | CAG | 115.9° | 120.0° |
| CAF | NAD | HNAD | 120.0° | 120.0° |
| CAF | NAD | HNAA | 120.0° | 120.0° |
| OAE | CAF | CAG | 122.4° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.4° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HNAD | NAD | HNAA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAG | CAB | CAC | 120.9° | 120.0° |
| CAA | CAG | CAB | CAF | 117.7° | 120.0° |
| CAA | CAG | CAC | CAF | 119.0° | 120.0° |
| CAA | CAG | CAF | NAD | 41.1° | 180.0° |
| CAA | CAG | CAF | OAE | 139.5° | 0.0° |
| CAG | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAG | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAG | CAA | HAAA | HAAB | 119.9° | 120.0° |
| CAA | CAG | CAB | HAB | 180.0° | 60.0° |
| CAA | CAG | CAB | HABA | 60.0° | 180.0° |
| CAA | CAG | CAB | HABB | 60.0° | 60.0° |
| CAA | CAG | CAC | HAC | 180.0° | 60.0° |
| CAA | CAG | CAC | HACA | 60.0° | 180.0° |
| CAA | CAG | CAC | HACB | 60.0° | 60.0° |
| CAB | CAG | CAC | CAF | 119.8° | 120.0° |
| CAB | CAG | CAF | NAD | 78.1° | 60.0° |
| CAB | CAG | CAF | OAE | 101.3° | 120.0° |
| CAB | CAG | CAA | HAA | 180.0° | 60.0° |
| CAB | CAG | CAA | HAAA | 60.0° | 180.0° |
| CAB | CAG | CAA | HAAB | 60.0° | 60.0° |
| CAG | CAB | HAB | HABA | 120.0° | 120.0° |
| CAG | CAB | HAB | HABB | 120.0° | 120.0° |
| CAG | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAG | CAC | HAC | 58.8° | 180.0° |
| CAB | CAG | CAC | HACA | 178.8° | 60.0° |
| CAB | CAG | CAC | HACB | 61.2° | 60.0° |
| CAC | CAG | CAF | NAD | 161.2° | 60.0° |
| CAC | CAG | CAF | OAE | 19.4° | 120.0° |
| CAC | CAG | CAA | HAA | 59.0° | 180.0° |
| CAC | CAG | CAA | HAAA | 179.0° | 60.0° |
| CAC | CAG | CAA | HAAB | 61.0° | 60.0° |
| CAC | CAG | CAB | HAB | 59.1° | 60.0° |
| CAC | CAG | CAB | HABA | 60.8° | 60.0° |
| CAC | CAG | CAB | HABB | 179.2° | 180.0° |
| CAG | CAC | HAC | HACA | 120.0° | 120.0° |
| CAG | CAC | HAC | HACB | 120.0° | 120.0° |
| CAG | CAC | HACA | HACB | 120.0° | 120.0° |
| NAD | CAF | OAE | CAG | 179.4° | 180.0° |
| CAF | NAD | HNAD | HNAA | 180.0° | 180.0° |
| OAE | CAF | NAD | HNAD | 0.0° | 0.0° |
| OAE | CAF | NAD | HNAA | 180.0° | 180.0° |
| CAF | CAG | CAA | HAA | 62.0° | 60.0° |
| CAF | CAG | CAA | HAAA | 58.0° | 60.0° |
| CAF | CAG | CAA | HAAB | 178.0° | 180.0° |
| CAF | CAG | CAB | HAB | 62.3° | 180.0° |
| CAF | CAG | CAB | HABA | 177.7° | 60.0° |
| CAF | CAG | CAB | HABB | 57.7° | 60.0° |
| CAF | CAG | CAC | HAC | 61.0° | 60.0° |
| CAF | CAG | CAC | HACA | 59.0° | 60.0° |
| CAF | CAG | CAC | HACB | 179.0° | 180.0° |
| CAG | CAF | NAD | HNAD | 179.4° | 180.0° |
| CAG | CAF | NAD | HNAA | 0.6° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
