SBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BD | OE1 | sing | 1.42Å | 1.44Å | |
| BD | OE2 | sing | 1.43Å | 1.42Å | |
| BD | OE3 | sing | 1.42Å | 1.39Å | |
| OE1 | CZ1 | sing | 1.44Å | 1.41Å | |
| OE2 | CZ2 | sing | 1.45Å | 1.40Å | |
| OE3 | HE3 | sing | 0.97Å | 0.96Å | |
| CZ1 | CZ2 | sing | 1.55Å | 1.53Å | |
| CZ1 | HZ12 | sing | 1.09Å | 1.09Å | |
| CZ1 | HZ13 | sing | 1.09Å | 1.09Å | |
| CZ2 | HZ22 | sing | 1.09Å | 1.09Å | |
| CZ2 | HZ23 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | BD | OE2 | 108.0° | 109.1° |
| OE1 | BD | OE3 | 112.1° | 125.4° |
| BD | OE1 | CZ1 | 108.5° | 107.4° |
| OE2 | BD | OE3 | 109.2° | 125.4° |
| BD | OE2 | CZ2 | 109.7° | 104.7° |
| BD | OE3 | HE3 | 120.2° | 106.9° |
| OE1 | CZ1 | CZ2 | 106.0° | 103.0° |
| OE1 | CZ1 | HZ12 | 113.2° | 110.7° |
| OE1 | CZ1 | HZ13 | 107.0° | 110.7° |
| OE2 | CZ2 | CZ1 | 105.2° | 101.5° |
| OE2 | CZ2 | HZ22 | 110.2° | 111.2° |
| OE2 | CZ2 | HZ23 | 109.6° | 110.9° |
| CZ2 | CZ1 | HZ12 | 110.4° | 110.8° |
| CZ2 | CZ1 | HZ13 | 110.0° | 110.7° |
| CZ1 | CZ2 | HZ22 | 110.4° | 111.0° |
| CZ1 | CZ2 | HZ23 | 110.8° | 111.1° |
| HZ12 | CZ1 | HZ13 | 110.0° | 110.7° |
| HZ22 | CZ2 | HZ23 | 110.6° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | BD | OE2 | OE3 | 122.1° | 179.7° |
| OE1 | BD | OE2 | CZ2 | 11.7° | 25.1° |
| OE1 | BD | OE3 | HE3 | 92.3° | 179.9° |
| BD | OE1 | CZ1 | CZ2 | 8.5° | 20.8° |
| BD | OE1 | CZ1 | HZ12 | 129.7° | 139.3° |
| BD | OE1 | CZ1 | HZ13 | 108.9° | 97.5° |
| OE2 | BD | OE1 | CZ1 | 1.3° | 1.6° |
| OE2 | BD | OE3 | HE3 | 148.1° | 0.3° |
| BD | OE2 | CZ2 | CZ1 | 16.5° | 36.3° |
| BD | OE2 | CZ2 | HZ22 | 102.4° | 81.8° |
| BD | OE2 | CZ2 | HZ23 | 135.7° | 154.4° |
| OE3 | BD | OE1 | CZ1 | 119.0° | 178.7° |
| OE3 | BD | OE2 | CZ2 | 110.4° | 155.2° |
| OE1 | CZ1 | CZ2 | OE2 | 15.4° | 35.2° |
| OE1 | CZ1 | CZ2 | HZ12 | 122.9° | 118.4° |
| OE1 | CZ1 | CZ2 | HZ13 | 115.4° | 118.3° |
| OE1 | CZ1 | HZ12 | HZ13 | 119.7° | 123.2° |
| OE1 | CZ1 | CZ2 | HZ22 | 103.4° | 83.0° |
| OE1 | CZ1 | CZ2 | HZ23 | 133.7° | 153.1° |
| OE2 | CZ2 | CZ1 | HZ22 | 118.8° | 118.2° |
| OE2 | CZ2 | CZ1 | HZ23 | 118.3° | 117.9° |
| OE2 | CZ2 | CZ1 | HZ12 | 138.3° | 153.6° |
| OE2 | CZ2 | CZ1 | HZ13 | 100.0° | 83.1° |
| OE2 | CZ2 | HZ22 | HZ23 | 121.3° | 123.8° |
| CZ2 | CZ1 | HZ12 | HZ13 | 121.7° | 123.3° |
| CZ1 | CZ2 | HZ22 | HZ23 | 123.0° | 124.0° |
| HZ12 | CZ1 | CZ2 | HZ22 | 19.5° | 35.4° |
| HZ12 | CZ1 | CZ2 | HZ23 | 103.4° | 88.5° |
| HZ13 | CZ1 | CZ2 | HZ22 | 141.2° | 158.7° |
| HZ13 | CZ1 | CZ2 | HZ23 | 18.3° | 34.8° |
