2XX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAE | sing | 1.53Å | 1.51Å | |
| CAE | CAJ | sing | 1.53Å | 1.55Å | |
| OAC | CAH | doub | 1.22Å | 1.24Å | |
| CAH | CAJ | sing | 1.51Å | 1.41Å | |
| CAH | CAI | sing | 1.41Å | 1.37Å | |
| CAJ | OAF | sing | 1.43Å | 1.42Å | |
| OAD | CAI | sing | 1.36Å | 1.32Å | |
| CAI | CAG | doub | 1.34Å | 1.35Å | |
| OAF | CAG | sing | 1.34Å | 1.39Å | |
| CAG | CAB | sing | 1.51Å | 1.49Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAE | CAJ | 115.9° | 109.5° |
| CAA | CAE | H6 | 107.8° | 109.5° |
| CAA | CAE | H7 | 107.8° | 109.4° |
| CAE | CAA | H8 | 109.5° | 109.5° |
| CAE | CAA | H9 | 109.5° | 109.4° |
| CAE | CAA | H10 | 109.5° | 109.5° |
| CAE | CAJ | CAH | 105.0° | 110.5° |
| CAE | CAJ | OAF | 104.6° | 110.3° |
| CAE | CAJ | H5 | 112.6° | 110.4° |
| CAJ | CAE | H6 | 107.9° | 109.5° |
| CAJ | CAE | H7 | 107.8° | 109.5° |
| OAC | CAH | CAJ | 121.1° | 127.6° |
| OAC | CAH | CAI | 127.7° | 127.5° |
| CAJ | CAH | CAI | 111.2° | 104.8° |
| CAH | CAJ | OAF | 103.7° | 104.5° |
| CAH | CAJ | H5 | 115.0° | 110.5° |
| CAH | CAI | OAD | 125.4° | 125.3° |
| CAH | CAI | CAG | 106.6° | 109.4° |
| CAJ | OAF | CAG | 107.7° | 108.6° |
| OAF | CAJ | H5 | 114.8° | 110.5° |
| OAD | CAI | CAG | 128.0° | 125.3° |
| CAI | OAD | H1 | 109.5° | 114.0° |
| CAI | CAG | OAF | 110.3° | 112.6° |
| CAI | CAG | CAB | 126.0° | 123.7° |
| OAF | CAG | CAB | 123.6° | 123.7° |
| CAG | CAB | H2 | 109.5° | 109.5° |
| CAG | CAB | H3 | 109.5° | 109.5° |
| CAG | CAB | H4 | 109.5° | 109.4° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H4 | 109.4° | 109.5° |
| H3 | CAB | H4 | 109.5° | 109.5° |
| H6 | CAE | H7 | 109.4° | 109.4° |
| H8 | CAA | H9 | 109.4° | 109.5° |
| H8 | CAA | H10 | 109.4° | 109.4° |
| H9 | CAA | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAE | CAJ | H6 | 121.0° | 120.1° |
| CAA | CAE | CAJ | H7 | 120.9° | 120.0° |
| CAA | CAE | CAJ | CAH | 85.2° | 175.0° |
| CAA | CAE | CAJ | OAF | 165.9° | 70.0° |
| CAA | CAE | CAJ | H5 | 40.6° | 52.5° |
| CAA | CAE | H6 | H7 | 117.0° | 120.0° |
| CAE | CAA | H8 | H9 | 120.1° | 120.0° |
| CAE | CAA | H8 | H10 | 120.0° | 120.0° |
| CAE | CAA | H9 | H10 | 120.0° | 120.0° |
| CAE | CAJ | CAH | OAC | 77.8° | 61.2° |
| CAE | CAJ | CAH | OAF | 109.5° | 118.6° |
| CAE | CAJ | CAH | H5 | 124.3° | 122.5° |
| CAE | CAJ | CAH | CAI | 103.2° | 119.1° |
| CAE | CAJ | OAF | H5 | 123.9° | 122.4° |
| CAE | CAJ | OAF | CAG | 103.3° | 119.2° |
| CAJ | CAE | H6 | H7 | 117.1° | 120.0° |
| CAJ | CAE | CAA | H8 | 180.0° | 60.0° |
| CAJ | CAE | CAA | H9 | 60.0° | 60.0° |
| CAJ | CAE | CAA | H10 | 60.0° | 179.9° |
| OAC | CAH | CAJ | CAI | 179.0° | 179.7° |
| OAC | CAH | CAJ | OAF | 172.7° | 179.9° |
| OAC | CAH | CAI | OAD | 5.2° | 0.0° |
| OAC | CAH | CAI | CAG | 175.3° | 180.0° |
| OAC | CAH | CAJ | H5 | 46.5° | 61.3° |
| CAH | CAJ | OAF | H5 | 126.3° | 118.8° |
| CAJ | CAH | CAI | OAD | 175.9° | 179.7° |
| CAJ | CAH | CAI | CAG | 3.6° | 0.3° |
| CAH | CAJ | OAF | CAG | 6.5° | 0.4° |
| CAH | CAJ | CAE | H6 | 153.8° | 54.9° |
| CAH | CAJ | CAE | H7 | 35.7° | 65.0° |
| CAI | CAH | CAJ | OAF | 6.3° | 0.4° |
| CAH | CAI | OAD | CAG | 179.4° | 180.0° |
| CAH | CAI | CAG | OAF | 0.7° | 0.0° |
| CAH | CAI | CAG | CAB | 177.8° | 180.0° |
| CAH | CAI | OAD | H1 | 2.2° | 180.0° |
| CAI | CAH | CAJ | H5 | 132.5° | 118.5° |
| CAJ | OAF | CAG | CAI | 4.7° | 0.3° |
| CAJ | OAF | CAG | CAB | 178.1° | 179.7° |
| OAF | CAJ | CAE | H6 | 44.9° | 170.0° |
| OAF | CAJ | CAE | H7 | 73.2° | 50.0° |
| OAD | CAI | CAG | OAF | 179.8° | 180.0° |
| OAD | CAI | CAG | CAB | 2.7° | 0.0° |
| CAI | CAG | OAF | CAB | 177.1° | 180.0° |
| CAG | CAI | OAD | H1 | 178.4° | 0.0° |
| CAI | CAG | CAB | H2 | 176.6° | 90.0° |
| CAI | CAG | CAB | H3 | 63.3° | 150.0° |
| CAI | CAG | CAB | H4 | 56.7° | 30.0° |
| OAF | CAG | CAB | H2 | 0.0° | 90.0° |
| OAF | CAG | CAB | H3 | 120.0° | 30.0° |
| OAF | CAG | CAB | H4 | 120.0° | 150.0° |
| CAG | OAF | CAJ | H5 | 132.8° | 118.4° |
| CAG | CAB | H2 | H3 | 120.0° | 120.0° |
| CAG | CAB | H2 | H4 | 120.0° | 120.0° |
| CAG | CAB | H3 | H4 | 120.0° | 120.0° |
| H2 | CAB | H3 | H4 | 120.0° | 120.0° |
| H5 | CAJ | CAE | H6 | 80.4° | 67.6° |
| H5 | CAJ | CAE | H7 | 161.5° | 172.5° |
| H6 | CAE | CAA | H8 | 59.0° | 179.9° |
| H6 | CAE | CAA | H9 | 61.0° | 60.0° |
| H6 | CAE | CAA | H10 | 179.0° | 60.0° |
| H7 | CAE | CAA | H8 | 59.0° | 60.0° |
| H7 | CAE | CAA | H9 | 179.1° | 180.0° |
| H7 | CAE | CAA | H10 | 60.9° | 60.0° |
| H8 | CAA | H9 | H10 | 119.9° | 120.0° |
