A1EGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C06 | sing | 1.43Å | 1.43Å | |
| C06 | C05 | sing | 1.53Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.48Å | |
| C05 | O10 | sing | 1.43Å | 1.47Å | |
| C04 | O11 | sing | 1.43Å | 1.43Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C07 | O08 | sing | 1.43Å | 1.47Å | |
| O12 | C03 | sing | 1.43Å | 1.36Å | |
| C03 | O08 | sing | 1.43Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å | |
| O09 | H9 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C06 | C05 | 109.9° | 109.5° |
| O09 | C06 | C07 | 107.5° | 109.5° |
| O09 | C06 | H5 | 109.5° | 109.6° |
| C06 | O09 | H9 | 109.5° | 114.0° |
| C05 | C06 | C07 | 112.6° | 109.1° |
| C06 | C05 | C04 | 112.9° | 109.1° |
| C06 | C05 | O10 | 108.8° | 109.5° |
| C06 | C05 | H4 | 109.0° | 109.6° |
| C05 | C06 | H5 | 109.1° | 109.5° |
| C06 | C07 | O08 | 110.9° | 109.4° |
| C07 | C06 | H5 | 108.1° | 109.5° |
| C06 | C07 | H6 | 109.1° | 109.4° |
| C06 | C07 | H7 | 109.1° | 109.5° |
| C04 | C05 | O10 | 108.3° | 109.5° |
| C05 | C04 | O11 | 108.0° | 109.5° |
| C05 | C04 | C03 | 112.4° | 109.1° |
| C05 | C04 | H3 | 109.2° | 109.6° |
| C04 | C05 | H4 | 108.9° | 109.6° |
| O10 | C05 | H4 | 108.9° | 109.5° |
| C05 | O10 | H10 | 109.5° | 114.0° |
| O11 | C04 | C03 | 109.1° | 109.5° |
| O11 | C04 | H3 | 109.8° | 109.6° |
| C04 | O11 | H11 | 109.5° | 114.0° |
| C04 | C03 | O12 | 109.9° | 109.5° |
| C04 | C03 | O08 | 111.8° | 109.4° |
| C04 | C03 | C02 | 109.5° | 109.5° |
| C03 | C04 | H3 | 108.3° | 109.6° |
| C07 | O08 | C03 | 111.1° | 114.1° |
| O08 | C07 | H6 | 109.1° | 109.5° |
| O08 | C07 | H7 | 109.1° | 109.5° |
| O12 | C03 | O08 | 107.0° | 109.5° |
| O12 | C03 | C02 | 110.1° | 109.5° |
| C03 | O12 | H12 | 109.5° | 114.0° |
| O08 | C03 | C02 | 108.5° | 109.5° |
| C03 | C02 | O01 | 109.1° | 109.5° |
| C03 | C02 | H1 | 109.5° | 109.5° |
| C03 | C02 | H2 | 109.6° | 109.4° |
| O01 | C02 | H1 | 109.6° | 109.5° |
| O01 | C02 | H2 | 109.5° | 109.5° |
| C02 | O01 | H8 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C06 | C05 | C07 | 119.8° | 119.9° |
| O09 | C06 | C05 | H5 | 120.1° | 120.2° |
| O09 | C06 | C07 | H5 | 118.2° | 120.2° |
| O09 | C06 | C05 | C04 | 163.3° | 62.9° |
| O09 | C06 | C05 | O10 | 43.1° | 57.0° |
| O09 | C06 | C07 | O08 | 108.6° | 62.3° |
| O09 | C06 | C05 | H4 | 75.6° | 177.1° |
| O09 | C06 | C07 | H6 | 11.6° | 57.7° |
| O09 | C06 | C07 | H7 | 131.2° | 177.7° |
| C05 | C06 | C07 | H5 | 120.6° | 119.9° |
| C06 | C05 | C04 | O10 | 120.6° | 119.9° |
| C06 | C05 | C04 | H4 | 121.1° | 120.0° |
| C06 | C05 | O10 | H4 | 118.7° | 120.2° |
| C06 | C05 | C04 | O11 | 173.8° | 62.9° |
| C06 | C05 | C04 | C03 | 53.4° | 57.0° |
| C05 | C06 | C07 | O08 | 12.7° | 57.6° |
| C06 | C05 | C04 | H3 | 66.9° | 176.9° |
| C05 | C06 | C07 | H6 | 132.9° | 177.6° |
| C05 | C06 | C07 | H7 | 107.6° | 62.4° |
| C05 | C06 | O09 | H9 | 180.0° | 180.0° |
| C06 | C05 | O10 | H10 | 180.0° | 60.4° |
| C07 | C06 | C05 | C04 | 43.5° | 57.0° |
| C07 | C06 | C05 | O10 | 76.8° | 176.9° |
| C06 | C07 | O08 | H6 | 120.2° | 119.9° |
| C06 | C07 | O08 | H7 | 120.2° | 120.0° |
| C06 | C07 | O08 | C03 | 61.6° | 61.2° |
| C07 | C06 | C05 | H4 | 164.6° | 63.0° |
| C06 | C07 | H6 | H7 | 119.3° | 120.0° |
| C07 | C06 | O09 | H9 | 57.1° | 60.3° |
| C04 | C05 | O10 | H4 | 118.3° | 120.2° |
| C05 | C04 | O11 | C03 | 122.4° | 119.6° |
| C05 | C04 | O11 | H3 | 119.0° | 120.2° |
| C05 | C04 | C03 | H3 | 120.7° | 120.0° |
| C05 | C04 | C03 | O12 | 123.8° | 62.4° |
| C05 | C04 | C03 | O08 | 5.2° | 57.6° |
| C05 | C04 | C03 | C02 | 115.1° | 177.6° |
| C04 | C05 | C06 | H5 | 76.6° | 176.9° |
| C04 | C05 | O10 | H10 | 57.0° | 180.0° |
| C05 | C04 | O11 | H11 | 180.0° | 60.4° |
| O10 | C05 | C04 | O11 | 53.2° | 56.9° |
| O10 | C05 | C04 | C03 | 67.2° | 176.8° |
| O10 | C05 | C04 | H3 | 172.6° | 63.2° |
| O10 | C05 | C06 | H5 | 163.2° | 63.2° |
| O11 | C04 | C03 | H3 | 119.5° | 120.2° |
| O11 | C04 | C03 | O12 | 116.4° | 177.7° |
| O11 | C04 | C03 | O08 | 125.0° | 62.3° |
| O11 | C04 | C03 | C02 | 4.7° | 57.8° |
| O11 | C04 | C05 | H4 | 65.1° | 177.1° |
| C04 | C03 | O08 | C07 | 51.7° | 61.2° |
| C04 | C03 | O12 | O08 | 121.5° | 120.0° |
| C04 | C03 | O12 | C02 | 120.7° | 120.0° |
| C04 | C03 | O08 | C02 | 120.9° | 120.0° |
| C04 | C03 | C02 | O01 | 104.0° | 180.0° |
| C04 | C03 | C02 | H1 | 16.0° | 60.0° |
| C04 | C03 | C02 | H2 | 136.1° | 60.0° |
| C03 | C04 | C05 | H4 | 174.5° | 63.0° |
| C03 | C04 | O11 | H11 | 57.6° | 180.0° |
| C04 | C03 | O12 | H12 | 180.0° | 180.0° |
| C07 | O08 | C03 | O12 | 68.6° | 58.8° |
| C07 | O08 | C03 | C02 | 172.6° | 178.8° |
| O08 | C07 | C06 | H5 | 133.3° | 177.5° |
| O08 | C07 | H6 | H7 | 119.3° | 120.1° |
| O12 | C03 | O08 | C02 | 118.8° | 120.0° |
| O12 | C03 | C02 | O01 | 16.9° | 60.1° |
| O12 | C03 | C02 | H1 | 136.9° | 59.9° |
| O12 | C03 | C02 | H2 | 103.0° | 179.9° |
| O12 | C03 | C04 | H3 | 3.1° | 57.5° |
| O08 | C03 | C02 | O01 | 133.7° | 60.0° |
| O08 | C03 | C02 | H1 | 106.3° | 180.0° |
| O08 | C03 | C02 | H2 | 13.8° | 60.0° |
| O08 | C03 | C04 | H3 | 115.5° | 177.6° |
| C03 | O08 | C07 | H6 | 178.2° | 178.9° |
| C03 | O08 | C07 | H7 | 58.6° | 58.8° |
| O08 | C03 | O12 | H12 | 58.4° | 60.0° |
| C03 | C02 | O01 | H1 | 119.9° | 120.0° |
| C03 | C02 | O01 | H2 | 120.0° | 120.0° |
| C03 | C02 | H1 | H2 | 120.2° | 120.0° |
| C02 | C03 | C04 | H3 | 124.2° | 62.4° |
| C03 | C02 | O01 | H8 | 180.0° | 180.0° |
| C02 | C03 | O12 | H12 | 59.3° | 60.1° |
| O01 | C02 | H1 | H2 | 120.1° | 120.0° |
| H1 | C02 | O01 | H8 | 60.1° | 59.9° |
| H2 | C02 | O01 | H8 | 60.0° | 60.0° |
| H3 | C04 | C05 | H4 | 54.2° | 56.9° |
| H3 | C04 | O11 | H11 | 61.0° | 59.8° |
| H4 | C05 | C06 | H5 | 44.5° | 56.9° |
| H4 | C05 | O10 | H10 | 61.3° | 59.8° |
| H5 | C06 | C07 | H6 | 106.5° | 62.5° |
| H5 | C06 | C07 | H7 | 13.0° | 57.5° |
| H5 | C06 | O09 | H9 | 60.2° | 59.9° |
