TEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAJ | sing | 1.43Å | 1.42Å | |
| OAE | CAC | sing | 1.43Å | 1.42Å | |
| OAE | CAF | sing | 1.43Å | 1.42Å | |
| CAC | CAB | sing | 1.51Å | 1.50Å | |
| CAG | CAF | sing | 1.53Å | 1.46Å | |
| CAG | OAH | sing | 1.43Å | 1.42Å | |
| CAJ | CAI | sing | 1.53Å | 1.49Å | |
| CAI | OAH | sing | 1.43Å | 1.42Å | |
| CAB | OAA | doub | 1.21Å | 1.18Å | |
| CAB | OAD | sing | 1.34Å | 1.28Å | |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| OAK | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAJ | CAI | 112.1° | 109.5° |
| OAK | CAJ | H9 | 108.8° | 109.4° |
| OAK | CAJ | H10 | 108.8° | 109.4° |
| CAJ | OAK | H12 | 109.5° | 114.0° |
| CAC | OAE | CAF | 111.7° | 114.0° |
| OAE | CAC | CAB | 111.5° | 109.5° |
| OAE | CAC | H1 | 109.0° | 109.5° |
| OAE | CAC | H2 | 109.0° | 109.5° |
| OAE | CAF | CAG | 111.8° | 109.5° |
| OAE | CAF | H3 | 108.8° | 109.5° |
| OAE | CAF | H4 | 108.9° | 109.4° |
| CAC | CAB | OAA | 121.5° | 120.0° |
| CAC | CAB | OAD | 116.0° | 120.1° |
| CAB | CAC | H1 | 109.0° | 109.5° |
| CAB | CAC | H2 | 109.0° | 109.4° |
| CAF | CAG | OAH | 107.0° | 109.5° |
| CAG | CAF | H3 | 108.9° | 109.5° |
| CAG | CAF | H4 | 108.9° | 109.5° |
| CAF | CAG | H5 | 110.1° | 109.5° |
| CAF | CAG | H6 | 110.1° | 109.5° |
| CAG | OAH | CAI | 114.3° | 114.0° |
| OAH | CAG | H5 | 110.1° | 109.4° |
| OAH | CAG | H6 | 110.1° | 109.5° |
| CAJ | CAI | OAH | 108.2° | 109.5° |
| CAJ | CAI | H7 | 109.8° | 109.5° |
| CAJ | CAI | H8 | 109.8° | 109.5° |
| CAI | CAJ | H9 | 108.8° | 109.5° |
| CAI | CAJ | H10 | 108.8° | 109.5° |
| OAH | CAI | H7 | 109.8° | 109.5° |
| OAH | CAI | H8 | 109.8° | 109.5° |
| OAA | CAB | OAD | 121.9° | 119.9° |
| CAB | OAD | H11 | 109.5° | 117.0° |
| H1 | CAC | H2 | 109.5° | 109.4° |
| H3 | CAF | H4 | 109.5° | 109.5° |
| H5 | CAG | H6 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.4° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAJ | CAI | H9 | 120.4° | 120.0° |
| OAK | CAJ | CAI | H10 | 120.4° | 120.0° |
| OAK | CAJ | CAI | OAH | 68.5° | 65.0° |
| OAK | CAJ | CAI | H7 | 171.8° | 175.0° |
| OAK | CAJ | CAI | H8 | 51.3° | 55.0° |
| OAK | CAJ | H9 | H10 | 118.8° | 119.9° |
| OAE | CAC | CAB | H1 | 120.3° | 120.0° |
| OAE | CAC | CAB | H2 | 120.3° | 120.0° |
| CAC | OAE | CAF | CAG | 174.2° | 180.0° |
| OAE | CAC | CAB | OAA | 159.7° | 0.0° |
| OAE | CAC | CAB | OAD | 11.3° | 179.7° |
| OAE | CAC | H1 | H2 | 119.1° | 120.0° |
| CAC | OAE | CAF | H3 | 53.8° | 60.0° |
| CAC | OAE | CAF | H4 | 65.5° | 60.0° |
| CAF | OAE | CAC | CAB | 74.7° | 180.0° |
| OAE | CAF | CAG | H3 | 120.3° | 120.0° |
| OAE | CAF | CAG | H4 | 120.4° | 120.0° |
| OAE | CAF | CAG | OAH | 162.8° | 65.0° |
| CAF | OAE | CAC | H1 | 45.6° | 60.0° |
| CAF | OAE | CAC | H2 | 165.0° | 60.0° |
| OAE | CAF | H3 | H4 | 118.9° | 120.0° |
| OAE | CAF | CAG | H5 | 43.2° | 175.0° |
| OAE | CAF | CAG | H6 | 77.7° | 55.0° |
| CAC | CAB | OAA | OAD | 170.5° | 179.7° |
| CAB | CAC | H1 | H2 | 119.1° | 119.9° |
| CAC | CAB | OAD | H11 | 171.0° | 179.8° |
| CAF | CAG | OAH | H5 | 119.6° | 120.0° |
| CAF | CAG | OAH | H6 | 119.6° | 120.0° |
| CAF | CAG | OAH | CAI | 104.3° | 180.0° |
| CAG | CAF | H3 | H4 | 118.9° | 120.0° |
| CAF | CAG | H5 | H6 | 121.2° | 120.0° |
| CAG | OAH | CAI | CAJ | 85.0° | 180.0° |
| OAH | CAG | CAF | H3 | 76.9° | 175.0° |
| OAH | CAG | CAF | H4 | 42.4° | 55.0° |
| OAH | CAG | H5 | H6 | 121.1° | 120.0° |
| CAG | OAH | CAI | H7 | 155.2° | 60.0° |
| CAG | OAH | CAI | H8 | 34.8° | 60.0° |
| CAJ | CAI | OAH | H7 | 119.8° | 120.0° |
| CAJ | CAI | OAH | H8 | 119.8° | 120.0° |
| CAJ | CAI | H7 | H8 | 120.6° | 120.0° |
| CAI | CAJ | H9 | H10 | 118.8° | 120.0° |
| CAI | CAJ | OAK | H12 | 180.0° | 180.0° |
| CAI | OAH | CAG | H5 | 136.1° | 60.0° |
| CAI | OAH | CAG | H6 | 15.3° | 60.0° |
| OAH | CAI | H7 | H8 | 120.6° | 120.0° |
| OAH | CAI | CAJ | H9 | 51.9° | 175.0° |
| OAH | CAI | CAJ | H10 | 171.1° | 55.0° |
| OAA | CAB | CAC | H1 | 39.4° | 120.0° |
| OAA | CAB | CAC | H2 | 80.0° | 120.0° |
| OAA | CAB | OAD | H11 | 0.0° | 0.0° |
| OAD | CAB | CAC | H1 | 131.6° | 60.2° |
| OAD | CAB | CAC | H2 | 109.0° | 59.7° |
| H3 | CAF | CAG | H5 | 163.5° | 55.0° |
| H3 | CAF | CAG | H6 | 42.7° | 65.0° |
| H4 | CAF | CAG | H5 | 77.2° | 65.0° |
| H4 | CAF | CAG | H6 | 162.0° | 175.0° |
| H7 | CAI | CAJ | H9 | 67.9° | 55.0° |
| H7 | CAI | CAJ | H10 | 51.4° | 65.0° |
| H8 | CAI | CAJ | H9 | 171.7° | 65.0° |
| H8 | CAI | CAJ | H10 | 69.1° | 175.0° |
| H9 | CAJ | OAK | H12 | 59.6° | 60.0° |
| H10 | CAJ | OAK | H12 | 59.6° | 60.0° |
