RRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | trip | 1.22Å | 1.17Å | |
| C4 | RE1 | sing | 1.89Å | 1.87Å | |
| O6 | C6 | trip | 1.22Å | 1.16Å | |
| O11 | RE1 | sing | 1.80Å | 2.19Å | |
| C6 | RE1 | sing | 1.89Å | 1.90Å | |
| RE1 | O10 | sing | 1.80Å | 2.17Å | |
| RE1 | C5 | sing | 1.90Å | 1.89Å | |
| RE1 | O12 | sing | 1.80Å | 2.18Å | |
| C5 | O5 | trip | 1.22Å | 1.16Å | |
| O11 | H1 | sing | 0.86Å | 0.95Å | |
| O11 | H2 | sing | 0.86Å | 0.95Å | |
| O12 | H4 | sing | 0.86Å | 0.95Å | |
| O12 | H3 | sing | 0.86Å | 0.95Å | |
| O10 | H6 | sing | 0.86Å | 0.95Å | |
| O10 | H5 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | RE1 | 178.3° | 179.9° |
| C4 | RE1 | O11 | 96.6° | 179.2° |
| C4 | RE1 | C6 | 87.3° | 87.8° |
| C4 | RE1 | O10 | 98.3° | 87.9° |
| C4 | RE1 | C5 | 87.1° | 88.3° |
| C4 | RE1 | O12 | 174.8° | 92.8° |
| O6 | C6 | RE1 | 180.0° | 180.0° |
| O11 | RE1 | C6 | 97.2° | 91.7° |
| O11 | RE1 | O10 | 78.7° | 91.5° |
| O11 | RE1 | C5 | 173.7° | 92.2° |
| O11 | RE1 | O12 | 79.1° | 87.8° |
| RE1 | O11 | H1 | 109.5° | 112.0° |
| RE1 | O11 | H2 | 109.5° | 112.8° |
| C6 | RE1 | O10 | 173.4° | 85.4° |
| C6 | RE1 | C5 | 88.2° | 176.0° |
| C6 | RE1 | O12 | 96.2° | 93.9° |
| O10 | RE1 | C5 | 95.7° | 93.4° |
| O10 | RE1 | O12 | 78.1° | 179.0° |
| RE1 | O10 | H6 | 109.5° | 111.6° |
| RE1 | O10 | H5 | 109.5° | 114.4° |
| C5 | RE1 | O12 | 96.9° | 87.3° |
| RE1 | C5 | O5 | 180.0° | 180.0° |
| RE1 | O12 | H4 | 109.5° | 114.0° |
| RE1 | O12 | H3 | 109.5° | 113.4° |
| H1 | O11 | H2 | 109.5° | 106.7° |
| H4 | O12 | H3 | 109.5° | 107.5° |
| H6 | O10 | H5 | 109.5° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | RE1 | O11 | 107.0° | 105.6° |
| O4 | C4 | RE1 | C6 | 10.2° | 59.3° |
| O4 | C4 | RE1 | O10 | 173.5° | 144.8° |
| O4 | C4 | RE1 | C5 | 78.1° | 121.7° |
| O4 | C4 | RE1 | O12 | 140.9° | 34.5° |
| C4 | RE1 | C6 | O6 | 73.2° | 51.0° |
| C4 | RE1 | O11 | C6 | 88.0° | 46.3° |
| C4 | RE1 | O11 | O10 | 97.1° | 39.2° |
| C4 | RE1 | O11 | C5 | 125.3° | 132.7° |
| C4 | RE1 | O11 | O12 | 177.0° | 140.1° |
| C4 | RE1 | C6 | O10 | 146.6° | 88.1° |
| C4 | RE1 | C6 | C5 | 87.2° | 14.8° |
| C4 | RE1 | C6 | O12 | 176.0° | 92.7° |
| C4 | RE1 | O10 | C5 | 87.9° | 88.2° |
| C4 | RE1 | O10 | O12 | 176.2° | 138.0° |
| C4 | RE1 | C5 | O12 | 176.7° | 92.9° |
| C4 | RE1 | C5 | O5 | 167.8° | 143.9° |
| C4 | RE1 | O11 | H1 | 180.0° | 81.1° |
| C4 | RE1 | O11 | H2 | 60.0° | 158.5° |
| C4 | RE1 | O12 | H4 | 180.0° | 93.3° |
| C4 | RE1 | O12 | H3 | 60.0° | 30.3° |
| C4 | RE1 | O10 | H6 | 180.0° | 157.4° |
| C4 | RE1 | O10 | H5 | 60.0° | 80.2° |
| O6 | C6 | RE1 | O11 | 169.5° | 129.5° |
| O6 | C6 | RE1 | O10 | 140.2° | 139.1° |
| O6 | C6 | RE1 | C5 | 14.0° | 65.9° |
| O6 | C6 | RE1 | O12 | 110.8° | 41.7° |
| O11 | RE1 | C6 | O10 | 50.3° | 91.3° |
| O11 | RE1 | C6 | C5 | 176.5° | 164.6° |
| O11 | RE1 | C6 | O12 | 79.7° | 87.9° |
| O11 | RE1 | O10 | C5 | 177.0° | 92.3° |
| O11 | RE1 | O10 | O12 | 81.1° | 41.6° |
| O11 | RE1 | C5 | O12 | 51.0° | 87.7° |
| O11 | RE1 | C5 | O5 | 42.1° | 36.7° |
| RE1 | O11 | H1 | H2 | 120.0° | 123.9° |
| O11 | RE1 | O12 | H4 | 145.7° | 86.2° |
| O11 | RE1 | O12 | H3 | 94.3° | 150.2° |
| O11 | RE1 | O10 | H6 | 84.9° | 22.1° |
| O11 | RE1 | O10 | H5 | 155.1° | 100.3° |
| C6 | RE1 | O10 | C5 | 125.8° | 176.2° |
| C6 | RE1 | O10 | O12 | 29.9° | 50.0° |
| C6 | RE1 | C5 | O12 | 96.0° | 107.8° |
| C6 | RE1 | C5 | O5 | 104.9° | 158.7° |
| C6 | RE1 | O11 | H1 | 92.0° | 34.9° |
| C6 | RE1 | O11 | H2 | 148.0° | 155.2° |
| C6 | RE1 | O12 | H4 | 49.6° | 5.4° |
| C6 | RE1 | O12 | H3 | 169.6° | 118.2° |
| C6 | RE1 | O10 | H6 | 33.8° | 69.4° |
| C6 | RE1 | O10 | H5 | 153.8° | 168.2° |
| O10 | RE1 | C5 | O12 | 78.7° | 179.3° |
| O10 | RE1 | C5 | O5 | 69.8° | 128.3° |
| O10 | RE1 | O11 | H1 | 82.8° | 120.3° |
| O10 | RE1 | O11 | H2 | 37.2° | 119.3° |
| O10 | RE1 | O12 | H4 | 133.7° | 44.6° |
| O10 | RE1 | O12 | H3 | 13.7° | 168.2° |
| RE1 | O10 | H6 | H5 | 120.0° | 126.2° |
| C5 | RE1 | O11 | H1 | 54.7° | 146.2° |
| C5 | RE1 | O11 | H2 | 65.3° | 25.9° |
| C5 | RE1 | O12 | H4 | 39.3° | 178.5° |
| C5 | RE1 | O12 | H3 | 80.7° | 57.9° |
| C5 | RE1 | O10 | H6 | 92.1° | 114.4° |
| C5 | RE1 | O10 | H5 | 27.9° | 8.0° |
| O12 | RE1 | C5 | O5 | 8.9° | 51.0° |
| O12 | RE1 | O11 | H1 | 2.9° | 59.0° |
| O12 | RE1 | O11 | H2 | 117.1° | 61.4° |
| RE1 | O12 | H4 | H3 | 120.0° | 126.7° |
| O12 | RE1 | O10 | H6 | 3.8° | 19.4° |
| O12 | RE1 | O10 | H5 | 123.8° | 141.8° |
