PZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CB | sing | 1.47Å | 1.47Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.43Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | BR | sing | 1.89Å | 1.48Å | |
| CE2 | CD2 | doub | 1.38Å | 1.61Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | N1 | HN11 | 109.5° | 106.7° |
| CB | N1 | HN12 | 109.5° | 106.7° |
| N1 | CB | CG | 119.4° | 109.5° |
| N1 | CB | HB1 | 104.0° | 109.4° |
| N1 | CB | HB2 | 106.3° | 109.5° |
| HN11 | N1 | HN12 | 109.4° | 106.7° |
| CG | CB | HB1 | 104.0° | 109.5° |
| CG | CB | HB2 | 106.3° | 109.5° |
| CB | CG | CD1 | 121.4° | 120.0° |
| CB | CG | CD2 | 119.1° | 120.0° |
| HB1 | CB | HB2 | 117.6° | 109.5° |
| CD1 | CG | CD2 | 119.5° | 120.0° |
| CG | CD1 | CE1 | 122.0° | 120.0° |
| CG | CD1 | HD1 | 119.0° | 120.0° |
| CG | CD2 | CE2 | 118.3° | 120.0° |
| CG | CD2 | HD2 | 120.9° | 120.0° |
| CE1 | CD1 | HD1 | 119.0° | 120.0° |
| CD1 | CE1 | CZ | 122.3° | 120.0° |
| CD1 | CE1 | HE1 | 118.9° | 120.0° |
| CZ | CE1 | HE1 | 118.9° | 120.0° |
| CE1 | CZ | CE2 | 119.8° | 120.0° |
| CE1 | CZ | BR | 119.7° | 120.0° |
| CE2 | CZ | BR | 120.5° | 120.0° |
| CZ | CE2 | CD2 | 118.2° | 120.0° |
| CZ | CE2 | HE2 | 120.9° | 120.0° |
| CD2 | CE2 | HE2 | 120.9° | 120.0° |
| CE2 | CD2 | HD2 | 120.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | N1 | HN11 | HN12 | 120.0° | 113.8° |
| N1 | CB | CG | HB1 | 115.2° | 120.0° |
| N1 | CB | CG | HB2 | 120.0° | 120.0° |
| N1 | CB | HB1 | HB2 | 117.2° | 120.0° |
| N1 | CB | CG | CD1 | 105.3° | 90.0° |
| N1 | CB | CG | CD2 | 71.2° | 90.3° |
| HN11 | N1 | CB | CG | 5.4° | 66.2° |
| HN11 | N1 | CB | HB1 | 120.6° | 173.8° |
| HN11 | N1 | CB | HB2 | 114.6° | 53.8° |
| HN12 | N1 | CB | CG | 125.4° | 180.0° |
| HN12 | N1 | CB | HB1 | 119.4° | 60.0° |
| HN12 | N1 | CB | HB2 | 5.4° | 60.0° |
| CG | CB | HB1 | HB2 | 117.2° | 120.0° |
| CB | CG | CD1 | CD2 | 176.5° | 179.7° |
| CB | CG | CD1 | CE1 | 178.8° | 180.0° |
| CB | CG | CD1 | HD1 | 1.2° | 0.1° |
| CB | CG | CD2 | CE2 | 178.5° | 179.8° |
| CB | CG | CD2 | HD2 | 1.5° | 0.2° |
| HB1 | CB | CG | CD1 | 139.5° | 29.9° |
| HB1 | CB | CG | CD2 | 44.0° | 149.7° |
| HB2 | CB | CG | CD1 | 14.7° | 150.0° |
| HB2 | CB | CG | CD2 | 168.8° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 2.3° | 0.1° |
| CG | CD1 | CE1 | HE1 | 177.7° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.9° | 0.5° |
| CD1 | CG | CD2 | HD2 | 178.1° | 179.9° |
| CD2 | CG | CD1 | CE1 | 2.3° | 0.3° |
| CD2 | CG | CD1 | HD1 | 177.7° | 179.8° |
| CG | CD2 | CE2 | CZ | 1.5° | 0.5° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.5° |
| CG | CD2 | CE2 | HE2 | 178.5° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 1.8° | 0.1° |
| CD1 | CE1 | CZ | BR | 177.2° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 177.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 2.2° | 0.1° |
| CE1 | CZ | CE2 | BR | 179.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 1.4° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 178.6° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 178.2° | 180.0° |
| HE1 | CE1 | CZ | BR | 2.8° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.8° |
| CZ | CE2 | CD2 | HD2 | 178.5° | 180.0° |
| BR | CZ | CE2 | CD2 | 177.6° | 179.7° |
| BR | CZ | CE2 | HE2 | 2.4° | 0.1° |
| HE2 | CE2 | CD2 | HD2 | 1.5° | 0.2° |
