UEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAD | sing | 1.53Å | 1.52Å | |
| CAD | CAC | sing | 1.53Å | 1.53Å | |
| OAF | CAB | sing | 1.43Å | 1.40Å | |
| CAC | CAB | sing | 1.53Å | 1.52Å | |
| CAC | CAI | sing | 1.53Å | 1.52Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAA | OAH | doub | 1.21Å | 1.25Å | |
| CAA | OAG | sing | 1.34Å | 1.26Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| OAF | H11 | sing | 0.97Å | 0.95Å | |
| OAG | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | CAC | 108.6° | 109.5° |
| CAE | CAD | H3 | 109.7° | 109.5° |
| CAE | CAD | H4 | 109.7° | 109.5° |
| CAD | CAE | H5 | 109.5° | 109.5° |
| CAD | CAE | H6 | 109.5° | 109.5° |
| CAD | CAE | H7 | 109.5° | 109.5° |
| CAD | CAC | CAB | 109.6° | 109.5° |
| CAD | CAC | CAI | 109.2° | 109.5° |
| CAD | CAC | H2 | 109.1° | 109.5° |
| CAC | CAD | H3 | 109.7° | 109.4° |
| CAC | CAD | H4 | 109.7° | 109.4° |
| OAF | CAB | CAC | 111.8° | 109.5° |
| OAF | CAB | CAA | 105.6° | 109.4° |
| OAF | CAB | H1 | 111.1° | 109.4° |
| CAB | OAF | H11 | 109.5° | 113.9° |
| CAB | CAC | CAI | 110.6° | 109.5° |
| CAC | CAB | CAA | 109.6° | 109.5° |
| CAC | CAB | H1 | 109.3° | 109.5° |
| CAB | CAC | H2 | 109.2° | 109.5° |
| CAI | CAC | H2 | 109.1° | 109.4° |
| CAC | CAI | H8 | 109.5° | 109.5° |
| CAC | CAI | H9 | 109.4° | 109.4° |
| CAC | CAI | H10 | 109.5° | 109.5° |
| CAB | CAA | OAH | 117.9° | 120.0° |
| CAB | CAA | OAG | 120.8° | 119.9° |
| CAA | CAB | H1 | 109.3° | 109.5° |
| OAH | CAA | OAG | 121.2° | 120.0° |
| CAA | OAG | H12 | 109.5° | 116.9° |
| H3 | CAD | H4 | 109.4° | 109.5° |
| H5 | CAE | H6 | 109.5° | 109.5° |
| H5 | CAE | H7 | 109.5° | 109.5° |
| H6 | CAE | H7 | 109.5° | 109.4° |
| H8 | CAI | H9 | 109.5° | 109.5° |
| H8 | CAI | H10 | 109.5° | 109.5° |
| H9 | CAI | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | CAC | H3 | 119.8° | 120.0° |
| CAE | CAD | CAC | H4 | 119.9° | 120.0° |
| CAE | CAD | CAC | CAB | 65.9° | 175.0° |
| CAE | CAD | CAC | CAI | 172.8° | 65.0° |
| CAE | CAD | CAC | H2 | 53.6° | 55.0° |
| CAE | CAD | H3 | H4 | 120.4° | 120.0° |
| CAD | CAE | H5 | H6 | 120.0° | 120.0° |
| CAD | CAE | H5 | H7 | 120.0° | 120.0° |
| CAD | CAE | H6 | H7 | 120.0° | 119.9° |
| CAD | CAC | CAB | OAF | 58.9° | 65.0° |
| CAD | CAC | CAB | CAI | 120.5° | 120.0° |
| CAD | CAC | CAB | H2 | 119.4° | 120.0° |
| CAD | CAC | CAI | H2 | 119.2° | 120.0° |
| CAD | CAC | CAB | CAA | 175.7° | 175.0° |
| CAD | CAC | CAB | H1 | 64.4° | 55.0° |
| CAC | CAD | H3 | H4 | 120.4° | 120.0° |
| CAC | CAD | CAE | H5 | 180.0° | 60.0° |
| CAC | CAD | CAE | H6 | 60.0° | 60.0° |
| CAC | CAD | CAE | H7 | 60.0° | 179.9° |
| CAD | CAC | CAI | H8 | 180.0° | 180.0° |
| CAD | CAC | CAI | H9 | 60.0° | 60.0° |
| CAD | CAC | CAI | H10 | 60.0° | 60.0° |
| OAF | CAB | CAC | CAA | 116.8° | 120.0° |
| OAF | CAB | CAC | H1 | 123.4° | 119.9° |
| OAF | CAB | CAC | CAI | 61.6° | 55.1° |
| OAF | CAB | CAA | H1 | 119.6° | 119.9° |
| OAF | CAB | CAA | OAH | 11.9° | 5.1° |
| OAF | CAB | CAA | OAG | 168.5° | 174.7° |
| OAF | CAB | CAC | H2 | 178.4° | 175.0° |
| CAB | CAC | CAI | H2 | 120.1° | 120.0° |
| CAC | CAB | CAA | H1 | 119.8° | 120.1° |
| CAC | CAB | CAA | OAH | 108.7° | 115.0° |
| CAC | CAB | CAA | OAG | 70.8° | 65.2° |
| CAB | CAC | CAD | H3 | 53.9° | 65.0° |
| CAB | CAC | CAD | H4 | 174.2° | 55.0° |
| CAB | CAC | CAI | H8 | 59.3° | 60.0° |
| CAB | CAC | CAI | H9 | 60.8° | 60.0° |
| CAB | CAC | CAI | H10 | 179.3° | 180.0° |
| CAC | CAB | OAF | H11 | 113.6° | 60.0° |
| CAI | CAC | CAB | CAA | 55.2° | 65.0° |
| CAI | CAC | CAB | H1 | 175.1° | 175.0° |
| CAI | CAC | CAD | H3 | 67.4° | 55.0° |
| CAI | CAC | CAD | H4 | 52.9° | 175.0° |
| CAC | CAI | H8 | H9 | 120.0° | 119.9° |
| CAC | CAI | H8 | H10 | 120.0° | 120.0° |
| CAC | CAI | H9 | H10 | 120.0° | 120.0° |
| CAB | CAA | OAH | OAG | 179.6° | 179.8° |
| CAA | CAB | CAC | H2 | 64.8° | 55.0° |
| CAA | CAB | OAF | H11 | 5.6° | 60.0° |
| CAB | CAA | OAG | H12 | 179.5° | 179.7° |
| OAH | CAA | CAB | H1 | 131.5° | 125.0° |
| OAH | CAA | OAG | H12 | 0.0° | 0.0° |
| OAG | CAA | CAB | H1 | 48.9° | 54.8° |
| H1 | CAB | CAC | H2 | 55.0° | 65.1° |
| H1 | CAB | OAF | H11 | 124.1° | 180.0° |
| H2 | CAC | CAD | H3 | 173.4° | 175.0° |
| H2 | CAC | CAD | H4 | 66.3° | 65.0° |
| H2 | CAC | CAI | H8 | 60.8° | 60.0° |
| H2 | CAC | CAI | H9 | 179.2° | 180.0° |
| H2 | CAC | CAI | H10 | 59.2° | 60.0° |
| H3 | CAD | CAE | H5 | 60.2° | 180.0° |
| H3 | CAD | CAE | H6 | 59.9° | 59.9° |
| H3 | CAD | CAE | H7 | 179.9° | 60.0° |
| H4 | CAD | CAE | H5 | 60.1° | 60.0° |
| H4 | CAD | CAE | H6 | 179.9° | 180.0° |
| H4 | CAD | CAE | H7 | 59.9° | 60.1° |
| H5 | CAE | H6 | H7 | 120.0° | 120.0° |
| H8 | CAI | H9 | H10 | 120.0° | 120.1° |
