QEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | RE1 | sing | 1.87Å | 2.15Å | |
| O1 | RE3 | sing | 1.70Å | 2.17Å | |
| O1 | RE4 | sing | 2.49Å | 2.18Å | |
| O16 | RE2 | sing | 1.87Å | 2.16Å | |
| O16 | RE3 | sing | 1.70Å | 2.17Å | |
| O16 | RE4 | sing | 2.49Å | 2.17Å | |
| O3 | RE1 | sing | 1.95Å | 2.18Å | |
| O3 | RE2 | sing | 1.95Å | 2.17Å | |
| O3 | RE4 | sing | 2.30Å | 2.16Å | |
| O5 | RE1 | sing | 1.94Å | 2.17Å | |
| O5 | RE2 | sing | 1.94Å | 2.17Å | |
| O5 | RE3 | sing | 1.71Å | 2.16Å | |
| H1 | O1 | sing | 0.87Å | 0.95Å | |
| H2 | O3 | sing | 0.87Å | 0.95Å | |
| H3 | O5 | sing | 0.87Å | 0.95Å | |
| H4 | O16 | sing | 0.87Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| RE1 | O1 | RE3 | 103.7° | 100.1° |
| RE1 | O1 | RE4 | 104.0° | 94.8° |
| O1 | RE1 | O3 | 74.1° | 90.9° |
| O1 | RE1 | O5 | 73.9° | 75.7° |
| RE1 | O1 | H1 | 114.2° | 115.2° |
| RE3 | O1 | RE4 | 106.0° | 110.3° |
| O1 | RE3 | O16 | 72.3° | 84.1° |
| O1 | RE3 | O5 | 73.8° | 86.7° |
| RE3 | O1 | H1 | 114.0° | 116.7° |
| O1 | RE4 | O16 | 72.2° | 54.4° |
| O1 | RE4 | O3 | 74.0° | 69.1° |
| RE4 | O1 | H1 | 113.9° | 116.4° |
| RE2 | O16 | RE3 | 104.1° | 100.2° |
| RE2 | O16 | RE4 | 102.8° | 94.8° |
| O16 | RE2 | O3 | 74.8° | 90.9° |
| O16 | RE2 | O5 | 73.7° | 75.6° |
| RE2 | O16 | H4 | 114.4° | 115.1° |
| RE3 | O16 | RE4 | 106.0° | 110.4° |
| O16 | RE3 | O5 | 73.8° | 86.7° |
| RE3 | O16 | H4 | 114.2° | 116.8° |
| O16 | RE4 | O3 | 74.6° | 69.1° |
| RE4 | O16 | H4 | 114.2° | 116.4° |
| RE1 | O3 | RE2 | 104.0° | 90.8° |
| RE1 | O3 | RE4 | 103.6° | 99.1° |
| O3 | RE1 | O5 | 74.2° | 88.9° |
| RE1 | O3 | H2 | 114.8° | 120.1° |
| RE2 | O3 | RE4 | 102.9° | 99.1° |
| O3 | RE2 | O5 | 74.3° | 88.9° |
| RE2 | O3 | H2 | 114.9° | 120.0° |
| RE4 | O3 | H2 | 115.1° | 121.4° |
| RE1 | O5 | RE2 | 104.2° | 91.2° |
| RE1 | O5 | RE3 | 103.7° | 97.2° |
| RE1 | O5 | H3 | 114.5° | 121.0° |
| RE2 | O5 | RE3 | 104.1° | 97.2° |
| RE2 | O5 | H3 | 114.4° | 121.0° |
| RE3 | O5 | H3 | 114.7° | 122.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| RE1 | O1 | RE3 | RE4 | 109.2° | 99.1° |
| RE1 | O1 | RE3 | H1 | 124.8° | 125.0° |
| RE1 | O1 | RE4 | H1 | 124.9° | 121.3° |
| RE1 | O1 | RE3 | O16 | 94.8° | 91.2° |
| RE1 | O1 | RE4 | O16 | 94.6° | 96.1° |
| O1 | RE1 | O3 | O5 | 77.3° | 75.6° |
| O1 | RE1 | O3 | RE2 | 91.3° | 78.2° |
| RE1 | O1 | RE4 | O3 | 16.0° | 17.4° |
| O1 | RE1 | O5 | RE2 | 91.5° | 93.7° |
| RE1 | O1 | RE3 | O5 | 17.1° | 4.2° |
| O1 | RE1 | O3 | H2 | 142.3° | 155.9° |
| O1 | RE1 | O5 | H3 | 142.8° | 138.3° |
| RE3 | O1 | RE4 | H1 | 126.1° | 136.0° |
| O1 | RE3 | O16 | RE2 | 93.7° | 91.2° |
| O1 | RE3 | O16 | O5 | 77.7° | 87.0° |
| RE3 | O1 | RE4 | O16 | 14.3° | 6.6° |
| RE3 | O1 | RE1 | O3 | 94.8° | 92.4° |
| RE3 | O1 | RE4 | O3 | 92.9° | 85.3° |
| O1 | RE3 | O5 | RE2 | 91.7° | 88.2° |
| O1 | RE3 | O5 | H3 | 142.5° | 137.9° |
| O1 | RE3 | O16 | H4 | 140.9° | 143.8° |
| O1 | RE4 | O16 | RE2 | 94.7° | 96.2° |
| O1 | RE4 | O16 | O3 | 77.8° | 78.7° |
| O1 | RE4 | O3 | RE2 | 92.3° | 75.4° |
| RE4 | O1 | RE1 | O5 | 93.6° | 107.9° |
| RE4 | O1 | RE3 | O5 | 92.0° | 94.9° |
| O1 | RE4 | O3 | H2 | 141.9° | 150.7° |
| O1 | RE4 | O16 | H4 | 140.9° | 142.7° |
| RE2 | O16 | RE3 | RE4 | 108.1° | 99.1° |
| RE2 | O16 | RE3 | H4 | 125.4° | 125.0° |
| RE2 | O16 | RE4 | H4 | 124.5° | 121.1° |
| O16 | RE2 | O3 | RE1 | 90.9° | 78.2° |
| O16 | RE2 | O3 | O5 | 77.0° | 75.6° |
| RE2 | O16 | RE4 | O3 | 16.9° | 17.5° |
| O16 | RE2 | O5 | RE1 | 92.3° | 93.7° |
| RE2 | O16 | RE3 | O5 | 16.0° | 4.2° |
| O16 | RE2 | O3 | H2 | 142.8° | 155.9° |
| O16 | RE2 | O5 | H3 | 141.9° | 138.3° |
| RE3 | O16 | RE4 | H4 | 126.6° | 136.2° |
| RE3 | O16 | RE2 | O3 | 93.6° | 92.4° |
| RE3 | O16 | RE4 | O3 | 92.1° | 85.3° |
| O16 | RE3 | O5 | RE1 | 92.9° | 88.2° |
| O16 | RE3 | O1 | H1 | 140.4° | 143.7° |
| O16 | RE3 | O5 | H3 | 141.6° | 137.9° |
| O16 | RE4 | O3 | RE1 | 91.3° | 75.4° |
| RE4 | O16 | RE2 | O5 | 94.5° | 108.0° |
| RE4 | O16 | RE3 | O5 | 92.1° | 94.9° |
| O16 | RE4 | O1 | H1 | 140.5° | 142.6° |
| O16 | RE4 | O3 | H2 | 142.6° | 150.7° |
| RE1 | O3 | RE2 | RE4 | 107.8° | 99.4° |
| RE1 | O3 | RE2 | H2 | 126.3° | 126.0° |
| RE1 | O3 | RE4 | H2 | 126.1° | 133.9° |
| RE1 | O3 | RE2 | O5 | 13.9° | 2.6° |
| O3 | RE1 | O5 | RE3 | 94.7° | 94.9° |
| O3 | RE1 | O1 | H1 | 140.6° | 141.5° |
| O3 | RE1 | O5 | H3 | 139.6° | 130.5° |
| RE2 | O3 | RE4 | H2 | 125.8° | 133.8° |
| O3 | RE2 | O5 | RE3 | 94.3° | 94.9° |
| O3 | RE2 | O5 | H3 | 139.8° | 130.5° |
| O3 | RE2 | O16 | H4 | 141.2° | 141.5° |
| RE4 | O3 | RE1 | O5 | 93.3° | 96.8° |
| RE4 | O3 | RE2 | O5 | 93.9° | 96.8° |
| O3 | RE4 | O1 | H1 | 140.9° | 138.7° |
| O3 | RE4 | O16 | H4 | 141.4° | 138.6° |
| RE1 | O5 | RE2 | RE3 | 108.3° | 97.5° |
| RE1 | O5 | RE2 | H3 | 125.8° | 127.9° |
| RE1 | O5 | RE3 | H3 | 125.5° | 133.9° |
| O5 | RE1 | O1 | H1 | 141.7° | 129.9° |
| O5 | RE1 | O3 | H2 | 140.4° | 128.5° |
| RE2 | O5 | RE3 | H3 | 125.7° | 133.9° |
| O5 | RE2 | O3 | H2 | 140.2° | 128.5° |
| O5 | RE2 | O16 | H4 | 141.1° | 129.9° |
| O5 | RE3 | O1 | H1 | 141.9° | 129.2° |
| O5 | RE3 | O16 | H4 | 141.4° | 129.1° |
