2K3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAH | sing | 1.34Å | 1.26Å | |
| CAH | OAE | doub | 1.21Å | 1.25Å | |
| CAH | CAF | sing | 1.51Å | 1.51Å | |
| CAF | CAI | sing | 1.51Å | 1.52Å | |
| CAI | OAD | doub | 1.21Å | 1.23Å | |
| CAI | CAG | sing | 1.51Å | 1.52Å | |
| CAG | CAJ | sing | 1.53Å | 1.52Å | |
| CAJ | CAB | sing | 1.53Å | 1.53Å | |
| CAJ | CAA | sing | 1.53Å | 1.53Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAH | OAE | 127.4° | 120.0° |
| OAC | CAH | CAF | 115.6° | 120.0° |
| CAH | OAC | HAC | 109.5° | 117.0° |
| OAE | CAH | CAF | 117.0° | 120.0° |
| CAH | CAF | CAI | 104.8° | 109.4° |
| CAH | CAF | HAF1 | 110.6° | 109.5° |
| CAH | CAF | HAF2 | 110.6° | 109.5° |
| CAF | CAI | OAD | 122.1° | 120.0° |
| CAF | CAI | CAG | 115.8° | 120.0° |
| CAI | CAF | HAF1 | 110.6° | 109.5° |
| CAI | CAF | HAF2 | 110.6° | 109.4° |
| OAD | CAI | CAG | 122.1° | 120.0° |
| CAI | CAG | CAJ | 109.2° | 109.5° |
| CAI | CAG | HAG1 | 109.5° | 109.5° |
| CAI | CAG | HAG2 | 109.5° | 109.5° |
| CAG | CAJ | CAB | 108.1° | 109.5° |
| CAG | CAJ | CAA | 107.9° | 109.5° |
| CAJ | CAG | HAG1 | 109.5° | 109.5° |
| CAJ | CAG | HAG2 | 109.5° | 109.5° |
| CAG | CAJ | HAJ | 110.1° | 109.5° |
| CAB | CAJ | CAA | 111.0° | 109.5° |
| CAB | CAJ | HAJ | 109.8° | 109.4° |
| CAJ | CAB | HAB1 | 109.5° | 109.5° |
| CAJ | CAB | HAB2 | 109.5° | 109.4° |
| CAJ | CAB | HAB3 | 109.5° | 109.5° |
| CAA | CAJ | HAJ | 109.9° | 109.5° |
| CAJ | CAA | HAA1 | 109.5° | 109.5° |
| CAJ | CAA | HAA2 | 109.5° | 109.5° |
| CAJ | CAA | HAA3 | 109.4° | 109.5° |
| HAF1 | CAF | HAF2 | 109.5° | 109.5° |
| HAG1 | CAG | HAG2 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.5° | 109.4° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAH | OAE | CAF | 178.4° | 179.7° |
| OAC | CAH | CAF | CAI | 35.5° | 179.8° |
| OAC | CAH | CAF | HAF1 | 154.7° | 59.7° |
| OAC | CAH | CAF | HAF2 | 83.8° | 60.3° |
| OAE | CAH | CAF | CAI | 143.1° | 0.1° |
| OAE | CAH | OAC | HAC | 0.0° | 0.0° |
| OAE | CAH | CAF | HAF1 | 23.8° | 120.0° |
| OAE | CAH | CAF | HAF2 | 97.6° | 120.0° |
| CAH | CAF | CAI | HAF1 | 119.3° | 120.1° |
| CAH | CAF | CAI | HAF2 | 119.2° | 120.0° |
| CAH | CAF | CAI | OAD | 97.9° | 0.1° |
| CAH | CAF | CAI | CAG | 78.7° | 180.0° |
| CAF | CAH | OAC | HAC | 178.4° | 179.7° |
| CAH | CAF | HAF1 | HAF2 | 122.1° | 120.0° |
| CAF | CAI | OAD | CAG | 176.4° | 179.9° |
| CAF | CAI | CAG | CAJ | 124.8° | 180.0° |
| CAI | CAF | HAF1 | HAF2 | 122.2° | 120.0° |
| CAF | CAI | CAG | HAG1 | 115.3° | 59.9° |
| CAF | CAI | CAG | HAG2 | 4.8° | 60.0° |
| OAD | CAI | CAG | CAJ | 58.7° | 0.1° |
| OAD | CAI | CAF | HAF1 | 142.8° | 120.0° |
| OAD | CAI | CAF | HAF2 | 21.3° | 120.1° |
| OAD | CAI | CAG | HAG1 | 61.3° | 120.0° |
| OAD | CAI | CAG | HAG2 | 178.6° | 120.1° |
| CAI | CAG | CAJ | HAG1 | 119.9° | 120.1° |
| CAI | CAG | CAJ | HAG2 | 119.9° | 120.0° |
| CAI | CAG | CAJ | CAB | 123.4° | 175.0° |
| CAI | CAG | CAJ | CAA | 116.4° | 65.0° |
| CAG | CAI | CAF | HAF1 | 40.6° | 59.9° |
| CAG | CAI | CAF | HAF2 | 162.1° | 60.1° |
| CAI | CAG | HAG1 | HAG2 | 120.1° | 120.0° |
| CAI | CAG | CAJ | HAJ | 3.4° | 55.0° |
| CAG | CAJ | CAB | CAA | 118.2° | 120.0° |
| CAG | CAJ | CAB | HAJ | 120.1° | 120.0° |
| CAG | CAJ | CAA | HAJ | 120.0° | 120.0° |
| CAJ | CAG | HAG1 | HAG2 | 120.1° | 120.0° |
| CAG | CAJ | CAB | HAB1 | 180.0° | 60.1° |
| CAG | CAJ | CAB | HAB2 | 60.0° | 180.0° |
| CAG | CAJ | CAB | HAB3 | 60.0° | 60.0° |
| CAG | CAJ | CAA | HAA1 | 180.0° | 60.0° |
| CAG | CAJ | CAA | HAA2 | 60.0° | 60.0° |
| CAG | CAJ | CAA | HAA3 | 60.0° | 180.0° |
| CAB | CAJ | CAA | HAJ | 121.7° | 120.0° |
| CAB | CAJ | CAG | HAG1 | 3.4° | 54.9° |
| CAB | CAJ | CAG | HAG2 | 116.7° | 65.0° |
| CAJ | CAB | HAB1 | HAB2 | 120.0° | 119.9° |
| CAJ | CAB | HAB1 | HAB3 | 120.0° | 120.1° |
| CAJ | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | CAJ | CAA | HAA1 | 61.7° | 60.0° |
| CAB | CAJ | CAA | HAA2 | 58.3° | 180.0° |
| CAB | CAJ | CAA | HAA3 | 178.3° | 60.0° |
| CAA | CAJ | CAG | HAG1 | 123.6° | 175.0° |
| CAA | CAJ | CAG | HAG2 | 3.5° | 55.0° |
| CAA | CAJ | CAB | HAB1 | 61.8° | 60.0° |
| CAA | CAJ | CAB | HAB2 | 178.2° | 60.0° |
| CAA | CAJ | CAB | HAB3 | 58.2° | 180.0° |
| CAJ | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAJ | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAJ | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAG1 | CAG | CAJ | HAJ | 116.5° | 65.0° |
| HAG2 | CAG | CAJ | HAJ | 123.4° | 175.0° |
| HAJ | CAJ | CAB | HAB1 | 59.9° | 179.9° |
| HAJ | CAJ | CAB | HAB2 | 60.1° | 60.0° |
| HAJ | CAJ | CAB | HAB3 | 179.9° | 60.0° |
| HAJ | CAJ | CAA | HAA1 | 60.0° | 179.9° |
| HAJ | CAJ | CAA | HAA2 | 180.0° | 60.0° |
| HAJ | CAJ | CAA | HAA3 | 60.0° | 60.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
