BZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | O1 | doub | 1.21Å | 1.29Å | |
| C1 | O2 | sing | 1.34Å | 1.23Å | |
| C2 | CA | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O3 | doub | 1.21Å | 1.23Å | |
| C | O4 | sing | 1.34Å | 1.24Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 121.2° | 120.0° |
| C2 | C1 | O2 | 115.4° | 120.0° |
| C1 | C2 | CA | 115.3° | 109.5° |
| C1 | C2 | H21 | 110.1° | 109.4° |
| C1 | C2 | H22 | 110.1° | 109.5° |
| O1 | C1 | O2 | 123.3° | 120.0° |
| C1 | O2 | HO2 | 115.4° | 120.0° |
| CA | C2 | H21 | 110.1° | 109.5° |
| CA | C2 | H22 | 110.1° | 109.5° |
| C2 | CA | C | 111.9° | 109.5° |
| C2 | CA | CB | 113.7° | 109.4° |
| C2 | CA | HA | 103.9° | 109.5° |
| H21 | C2 | H22 | 100.2° | 109.5° |
| C | CA | CB | 106.5° | 109.5° |
| C | CA | HA | 111.4° | 109.5° |
| CA | C | O3 | 115.5° | 120.0° |
| CA | C | O4 | 119.1° | 120.1° |
| CB | CA | HA | 109.6° | 109.5° |
| CA | CB | CG | 113.4° | 109.4° |
| CA | CB | HB1 | 110.7° | 109.4° |
| CA | CB | HB2 | 110.8° | 109.5° |
| O3 | C | O4 | 125.2° | 120.0° |
| C | O4 | HO4 | 119.1° | 120.1° |
| CG | CB | HB1 | 110.8° | 109.5° |
| CG | CB | HB2 | 110.8° | 109.5° |
| CB | CG | CD1 | 121.2° | 120.1° |
| CB | CG | CD2 | 118.7° | 120.0° |
| HB1 | CB | HB2 | 99.6° | 109.5° |
| CD1 | CG | CD2 | 120.1° | 120.0° |
| CG | CD1 | CE1 | 118.0° | 120.1° |
| CG | CD1 | HD1 | 120.9° | 120.0° |
| CG | CD2 | CE2 | 122.8° | 120.0° |
| CG | CD2 | HD2 | 118.7° | 120.0° |
| CE1 | CD1 | HD1 | 121.1° | 119.9° |
| CD1 | CE1 | CZ | 121.2° | 120.0° |
| CD1 | CE1 | HE1 | 119.1° | 120.0° |
| CE2 | CD2 | HD2 | 118.5° | 120.0° |
| CD2 | CE2 | CZ | 116.7° | 120.0° |
| CD2 | CE2 | HE2 | 121.5° | 120.0° |
| CZ | CE1 | HE1 | 119.7° | 120.0° |
| CE1 | CZ | CE2 | 121.2° | 120.0° |
| CE1 | CZ | HZ | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 121.8° | 120.0° |
| CE2 | CZ | HZ | 119.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 177.6° | 180.0° |
| C1 | C2 | CA | H21 | 125.3° | 120.0° |
| C1 | C2 | CA | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 115.9° | 120.0° |
| C1 | C2 | CA | C | 49.5° | 60.0° |
| C1 | C2 | CA | CB | 170.2° | 180.0° |
| C1 | C2 | CA | HA | 70.8° | 60.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | CA | 46.2° | 0.0° |
| O1 | C1 | C2 | H21 | 79.0° | 120.0° |
| O1 | C1 | C2 | H22 | 171.4° | 120.0° |
| O1 | C1 | O2 | HO2 | 2.3° | 0.0° |
| O2 | C1 | C2 | CA | 136.0° | 180.0° |
| O2 | C1 | C2 | H21 | 98.7° | 60.0° |
| O2 | C1 | C2 | H22 | 10.8° | 60.0° |
| CA | C2 | H21 | H22 | 115.9° | 120.0° |
| C2 | CA | C | CB | 124.8° | 120.0° |
| C2 | CA | C | HA | 115.8° | 120.0° |
| C2 | CA | CB | HA | 115.7° | 120.0° |
| C2 | CA | C | O3 | 162.2° | 0.0° |
| C2 | CA | C | O4 | 22.1° | 179.9° |
| C2 | CA | CB | CG | 52.6° | 180.0° |
| C2 | CA | CB | HB1 | 177.9° | 60.0° |
| C2 | CA | CB | HB2 | 72.6° | 60.0° |
| H21 | C2 | CA | C | 174.8° | 179.9° |
| H21 | C2 | CA | CB | 64.5° | 60.0° |
| H21 | C2 | CA | HA | 54.5° | 59.9° |
| H22 | C2 | CA | C | 75.7° | 60.0° |
| H22 | C2 | CA | CB | 45.0° | 60.0° |
| H22 | C2 | CA | HA | 164.0° | NaN° |
| C | CA | CB | HA | 120.6° | 120.0° |
| CA | C | O3 | O4 | 175.4° | 179.9° |
| C | CA | CB | CG | 71.1° | 60.0° |
| C | CA | CB | HB1 | 54.2° | 179.9° |
| C | CA | CB | HB2 | 163.7° | 60.0° |
| CA | C | O4 | HO4 | 180.0° | 180.0° |
| CB | CA | C | O3 | 73.0° | 120.0° |
| CB | CA | C | O4 | 102.7° | 59.9° |
| CA | CB | CG | HB1 | 125.2° | 119.9° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.6° | 120.0° |
| CA | CB | CG | CD1 | 75.6° | 90.0° |
| CA | CB | CG | CD2 | 103.3° | 90.3° |
| HA | CA | C | O3 | 46.4° | 120.0° |
| HA | CA | C | O4 | 137.9° | 60.1° |
| HA | CA | CB | CG | 168.3° | 60.0° |
| HA | CA | CB | HB1 | 66.4° | 60.0° |
| HA | CA | CB | HB2 | 43.1° | 180.0° |
| O3 | C | O4 | HO4 | 4.8° | 0.1° |
| CG | CB | HB1 | HB2 | 116.6° | 120.0° |
| CB | CG | CD1 | CD2 | 178.8° | 179.7° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.1° |
| CB | CG | CD2 | CE2 | 178.5° | 179.8° |
| CB | CG | CD2 | HD2 | 1.5° | 0.2° |
| HB1 | CB | CG | CD1 | 49.6° | 29.9° |
| HB1 | CB | CG | CD2 | 131.5° | 149.8° |
| HB2 | CB | CG | CD1 | 159.2° | 150.0° |
| HB2 | CB | CG | CD2 | 22.0° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 2.7° | 0.5° |
| CD1 | CG | CD2 | HD2 | 177.3° | 179.9° |
| CG | CD1 | CE1 | CZ | 1.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.0° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.7° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.3° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.6° |
| CG | CD2 | CE2 | CZ | 2.8° | 0.4° |
| CG | CD2 | CE2 | HE2 | 177.1° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.8° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.2° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.0° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 1.0° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 1.1° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | HZ | 178.9° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 177.2° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 2.9° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 178.9° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.2° | 179.9° |
| HE1 | CE1 | CZ | HZ | 0.8° | 0.0° |
| HE2 | CE2 | CZ | HZ | 1.1° | 0.0° |
