4PA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | OAD | doub | 1.21Å | 1.42Å | |
| CAI | CAC | sing | 1.51Å | 1.55Å | |
| CAI | OAH | sing | 1.34Å | 1.37Å | |
| CAC | HAC1 | sing | 1.09Å | 1.11Å | |
| CAC | HAC2 | sing | 1.09Å | 1.11Å | |
| CAC | HAC3 | sing | 1.09Å | 1.11Å | |
| OAH | CAF | sing | 1.45Å | 1.37Å | |
| CAF | CAE | sing | 1.53Å | 1.56Å | |
| CAF | HAF1 | sing | 1.09Å | 1.11Å | |
| CAF | HAF2 | sing | 1.09Å | 1.11Å | |
| CAE | CAA | sing | 1.53Å | 1.53Å | |
| CAE | HAE1 | sing | 1.09Å | 1.11Å | |
| CAE | HAE2 | sing | 1.09Å | 1.12Å | |
| CAA | HAA1 | sing | 1.09Å | 1.12Å | |
| CAA | HAA2 | sing | 1.09Å | 1.11Å | |
| CAA | HAA3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAI | CAC | 113.5° | 120.0° |
| OAD | CAI | OAH | 110.8° | 119.9° |
| CAC | CAI | OAH | 107.8° | 120.1° |
| CAI | CAC | HAC1 | 113.5° | 109.5° |
| CAI | CAC | HAC2 | 110.7° | 109.4° |
| CAI | CAC | HAC3 | 110.7° | 109.4° |
| CAI | OAH | CAF | 153.9° | 120.1° |
| HAC1 | CAC | HAC2 | 110.8° | 109.5° |
| HAC1 | CAC | HAC3 | 110.7° | 109.5° |
| HAC2 | CAC | HAC3 | 99.7° | 109.5° |
| OAH | CAF | CAE | 125.4° | 109.5° |
| OAH | CAF | HAF1 | 106.6° | 109.4° |
| OAH | CAF | HAF2 | 106.6° | 109.4° |
| CAE | CAF | HAF1 | 106.6° | 109.5° |
| CAE | CAF | HAF2 | 106.6° | 109.5° |
| CAF | CAE | CAA | 112.6° | 109.5° |
| CAF | CAE | HAE1 | 111.1° | 109.5° |
| CAF | CAE | HAE2 | 111.1° | 109.5° |
| HAF1 | CAF | HAF2 | 103.0° | 109.5° |
| CAA | CAE | HAE1 | 111.1° | 109.4° |
| CAA | CAE | HAE2 | 111.0° | 109.4° |
| CAE | CAA | HAA1 | 112.6° | 109.5° |
| CAE | CAA | HAA2 | 111.1° | 109.4° |
| CAE | CAA | HAA3 | 111.1° | 109.4° |
| HAE1 | CAE | HAE2 | 99.2° | 109.5° |
| HAA1 | CAA | HAA2 | 111.0° | 109.5° |
| HAA1 | CAA | HAA3 | 111.1° | 109.5° |
| HAA2 | CAA | HAA3 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAI | CAC | OAH | 123.2° | 180.0° |
| OAD | CAI | CAC | HAC1 | 180.0° | 0.0° |
| OAD | CAI | CAC | HAC2 | 54.7° | 120.0° |
| OAD | CAI | CAC | HAC3 | 54.8° | 120.0° |
| OAD | CAI | OAH | CAF | 22.3° | 0.0° |
| CAI | CAC | HAC1 | HAC2 | 125.2° | 120.0° |
| CAI | CAC | HAC1 | HAC3 | 125.2° | 120.0° |
| CAI | CAC | HAC2 | HAC3 | 116.6° | 120.0° |
| CAC | CAI | OAH | CAF | 102.6° | 180.0° |
| OAH | CAI | CAC | HAC1 | 56.8° | 180.0° |
| OAH | CAI | CAC | HAC2 | 68.4° | 60.0° |
| OAH | CAI | CAC | HAC3 | 178.0° | 60.0° |
| CAI | OAH | CAF | CAE | 141.0° | 180.0° |
| CAI | OAH | CAF | HAF1 | 15.8° | 60.0° |
| CAI | OAH | CAF | HAF2 | 93.7° | 60.0° |
| HAC1 | CAC | HAC2 | HAC3 | 116.6° | 120.1° |
| OAH | CAF | CAE | HAF1 | 125.3° | 120.0° |
| OAH | CAF | CAE | HAF2 | 125.3° | 120.0° |
| OAH | CAF | HAF1 | HAF2 | 112.0° | 119.9° |
| OAH | CAF | CAE | CAA | 171.3° | 180.0° |
| OAH | CAF | CAE | HAE1 | 46.0° | 60.0° |
| OAH | CAF | CAE | HAE2 | 63.5° | 60.0° |
| CAE | CAF | HAF1 | HAF2 | 111.9° | 120.0° |
| CAF | CAE | CAA | HAE1 | 125.3° | 120.0° |
| CAF | CAE | CAA | HAE2 | 125.3° | 120.0° |
| CAF | CAE | HAE1 | HAE2 | 116.9° | 120.0° |
| CAF | CAE | CAA | HAA1 | 180.0° | 180.0° |
| CAF | CAE | CAA | HAA2 | 54.8° | 60.0° |
| CAF | CAE | CAA | HAA3 | 54.7° | 60.0° |
| HAF1 | CAF | CAE | CAA | 63.5° | 60.0° |
| HAF1 | CAF | CAE | HAE1 | 171.2° | 180.0° |
| HAF1 | CAF | CAE | HAE2 | 61.8° | 60.0° |
| HAF2 | CAF | CAE | CAA | 46.0° | 60.0° |
| HAF2 | CAF | CAE | HAE1 | 79.3° | 60.0° |
| HAF2 | CAF | CAE | HAE2 | 171.3° | 180.0° |
| CAA | CAE | HAE1 | HAE2 | 116.9° | 119.9° |
| CAE | CAA | HAA1 | HAA2 | 125.2° | 120.0° |
| CAE | CAA | HAA1 | HAA3 | 125.3° | 120.0° |
| CAE | CAA | HAA2 | HAA3 | 117.0° | 119.9° |
| HAE1 | CAE | CAA | HAA1 | 54.7° | 60.0° |
| HAE1 | CAE | CAA | HAA2 | 179.9° | 60.0° |
| HAE1 | CAE | CAA | HAA3 | 70.5° | 180.0° |
| HAE2 | CAE | CAA | HAA1 | 54.7° | 60.0° |
| HAE2 | CAE | CAA | HAA2 | 70.5° | 180.0° |
| HAE2 | CAE | CAA | HAA3 | 180.0° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 117.0° | 120.0° |
