5AC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAG | sing | 1.35Å | 1.23Å | |
| CAG | OAC | doub | 1.22Å | 1.32Å | |
| CAG | CAI | sing | 1.47Å | 1.49Å | |
| CAI | CAH | doub | 1.39Å | 1.37Å | Aromatic |
| CAI | NAE | sing | 1.36Å | 1.33Å | Aromatic |
| CAH | NAB | sing | 1.38Å | 1.34Å | |
| CAH | NAF | sing | 1.36Å | 1.34Å | Aromatic |
| NAF | CAD | sing | 1.36Å | 1.35Å | Aromatic |
| CAD | NAE | doub | 1.30Å | 1.35Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAC | sing | 0.97Å | 1.00Å | |
| NAB | HNAD | sing | 0.97Å | 1.00Å | |
| NAF | HNAF | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAG | OAC | 121.1° | 120.0° |
| NAA | CAG | CAI | 124.1° | 120.0° |
| CAG | NAA | HNAA | 112.5° | 120.0° |
| CAG | NAA | HNAB | 123.7° | 120.0° |
| OAC | CAG | CAI | 114.8° | 120.0° |
| CAG | CAI | CAH | 125.2° | 126.4° |
| CAG | CAI | NAE | 128.7° | 126.4° |
| CAH | CAI | NAE | 106.2° | 107.3° |
| CAI | CAH | NAB | 125.4° | 126.8° |
| CAI | CAH | NAF | 110.0° | 106.4° |
| CAI | NAE | CAD | 108.7° | 109.2° |
| NAB | CAH | NAF | 124.5° | 126.8° |
| CAH | NAB | HNAC | 109.5° | 120.1° |
| CAH | NAB | HNAD | 109.5° | 120.0° |
| CAH | NAF | CAD | 106.0° | 107.7° |
| CAH | NAF | HNAF | 127.0° | 126.2° |
| NAF | CAD | NAE | 109.1° | 109.5° |
| CAD | NAF | HNAF | 127.0° | 126.1° |
| NAF | CAD | HAD | 125.5° | 125.3° |
| NAE | CAD | HAD | 125.4° | 125.2° |
| HNAA | NAA | HNAB | 123.7° | 120.0° |
| HNAC | NAB | HNAD | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAG | OAC | CAI | 178.8° | 180.0° |
| NAA | CAG | CAI | CAH | 104.9° | 180.0° |
| NAA | CAG | CAI | NAE | 76.7° | 0.4° |
| CAG | NAA | HNAA | HNAB | 180.0° | 179.7° |
| OAC | CAG | CAI | CAH | 76.4° | 0.0° |
| OAC | CAG | CAI | NAE | 102.1° | 179.7° |
| OAC | CAG | NAA | HNAA | 0.0° | 0.0° |
| OAC | CAG | NAA | HNAB | 180.0° | 179.7° |
| CAG | CAI | CAH | NAE | 178.7° | 179.7° |
| CAG | CAI | CAH | NAB | 2.7° | 0.0° |
| CAG | CAI | CAH | NAF | 179.9° | 180.0° |
| CAG | CAI | NAE | CAD | 179.0° | 179.9° |
| CAI | CAG | NAA | HNAA | 178.7° | 180.0° |
| CAI | CAG | NAA | HNAB | 1.4° | 0.2° |
| CAI | CAH | NAB | NAF | 177.1° | 179.9° |
| CAI | CAH | NAF | CAD | 1.5° | 0.0° |
| CAH | CAI | NAE | CAD | 0.3° | 0.4° |
| CAI | CAH | NAB | HNAC | 32.0° | 0.0° |
| CAI | CAH | NAB | HNAD | 88.0° | 179.9° |
| CAI | CAH | NAF | HNAF | 178.5° | 180.0° |
| NAE | CAI | CAH | NAB | 178.6° | 179.7° |
| NAE | CAI | CAH | NAF | 1.1° | 0.2° |
| CAI | NAE | CAD | NAF | 0.6° | 0.4° |
| CAI | NAE | CAD | HAD | 179.4° | 179.8° |
| NAB | CAH | NAF | CAD | 179.0° | 179.9° |
| CAH | NAB | HNAC | HNAD | 120.0° | 179.9° |
| NAB | CAH | NAF | HNAF | 1.0° | 0.1° |
| CAH | NAF | CAD | HNAF | 180.0° | 180.0° |
| CAH | NAF | CAD | NAE | 1.3° | 0.2° |
| NAF | CAH | NAB | HNAC | 145.1° | 179.9° |
| NAF | CAH | NAB | HNAD | 94.9° | 0.0° |
| CAH | NAF | CAD | HAD | 178.7° | 179.9° |
| NAF | CAD | NAE | HAD | 180.0° | 179.8° |
| NAE | CAD | NAF | HNAF | 178.7° | 179.8° |
| HNAF | NAF | CAD | HAD | 1.3° | 0.1° |
