H3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAI | sing | 1.51Å | 1.40Å | |
| CAJ | CAA | sing | 1.53Å | 1.53Å | |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | OAC | sing | 1.36Å | 1.36Å | |
| CAH | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| OAC | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAJ | CAI | 109.3° | 109.4° |
| CAB | CAJ | CAA | 110.2° | 109.5° |
| CAJ | CAB | H4 | 109.5° | 109.5° |
| CAJ | CAB | H5 | 109.5° | 109.4° |
| CAJ | CAB | H6 | 109.5° | 109.5° |
| CAB | CAJ | H11 | 108.2° | 109.5° |
| CAI | CAJ | CAA | 111.0° | 109.5° |
| CAJ | CAI | CAF | 119.0° | 119.9° |
| CAJ | CAI | CAG | 121.4° | 120.0° |
| CAI | CAJ | H11 | 110.0° | 109.5° |
| CAJ | CAA | H1 | 109.5° | 109.5° |
| CAJ | CAA | H2 | 109.5° | 109.5° |
| CAJ | CAA | H3 | 109.5° | 109.4° |
| CAA | CAJ | H11 | 108.1° | 109.5° |
| CAD | CAF | CAI | 120.1° | 120.0° |
| CAF | CAD | CAH | 120.6° | 120.0° |
| CAF | CAD | H7 | 119.7° | 120.0° |
| CAD | CAF | H9 | 120.0° | 120.0° |
| CAF | CAI | CAG | 119.6° | 120.1° |
| CAI | CAF | H9 | 119.9° | 120.0° |
| CAD | CAH | OAC | 119.6° | 120.0° |
| CAD | CAH | CAE | 119.5° | 119.9° |
| CAH | CAD | H7 | 119.7° | 120.0° |
| CAI | CAG | CAE | 120.1° | 120.1° |
| CAI | CAG | H10 | 120.0° | 119.9° |
| OAC | CAH | CAE | 120.9° | 120.1° |
| CAH | OAC | H12 | 109.5° | 114.0° |
| CAH | CAE | CAG | 120.0° | 119.9° |
| CAH | CAE | H8 | 120.0° | 120.0° |
| CAG | CAE | H8 | 120.0° | 120.0° |
| CAE | CAG | H10 | 119.9° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAJ | CAI | CAA | 121.7° | 120.0° |
| CAB | CAJ | CAI | H11 | 118.6° | 120.0° |
| CAB | CAJ | CAA | H11 | 118.0° | 120.1° |
| CAB | CAJ | CAI | CAF | 108.6° | 120.0° |
| CAB | CAJ | CAI | CAG | 71.1° | 60.0° |
| CAB | CAJ | CAA | H1 | 180.0° | 180.0° |
| CAB | CAJ | CAA | H2 | 60.0° | 59.9° |
| CAB | CAJ | CAA | H3 | 60.0° | 60.1° |
| CAJ | CAB | H4 | H5 | 120.0° | 119.9° |
| CAJ | CAB | H4 | H6 | 120.0° | 120.0° |
| CAJ | CAB | H5 | H6 | 120.0° | 120.0° |
| CAI | CAJ | CAA | H11 | 120.8° | 120.0° |
| CAJ | CAI | CAF | CAD | 179.9° | 180.0° |
| CAJ | CAI | CAF | CAG | 179.7° | 180.0° |
| CAJ | CAI | CAG | CAE | 180.0° | 179.7° |
| CAI | CAJ | CAA | H1 | 58.8° | 60.0° |
| CAI | CAJ | CAA | H2 | 178.8° | 60.0° |
| CAI | CAJ | CAA | H3 | 61.2° | 180.0° |
| CAI | CAJ | CAB | H4 | 180.0° | 60.0° |
| CAI | CAJ | CAB | H5 | 60.0° | 180.0° |
| CAI | CAJ | CAB | H6 | 60.0° | 60.0° |
| CAJ | CAI | CAF | H9 | 0.0° | 0.1° |
| CAJ | CAI | CAG | H10 | 0.0° | 0.2° |
| CAA | CAJ | CAI | CAF | 129.7° | 120.0° |
| CAA | CAJ | CAI | CAG | 50.6° | 60.0° |
| CAJ | CAA | H1 | H2 | 120.0° | 120.1° |
| CAJ | CAA | H1 | H3 | 120.0° | 120.0° |
| CAJ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAJ | CAB | H4 | 57.8° | 180.0° |
| CAA | CAJ | CAB | H5 | 177.8° | 60.0° |
| CAA | CAJ | CAB | H6 | 62.2° | 59.9° |
| CAD | CAF | CAI | H9 | 180.0° | 179.9° |
| CAF | CAD | CAH | H7 | 180.0° | 179.7° |
| CAD | CAF | CAI | CAG | 0.3° | 0.0° |
| CAF | CAD | CAH | OAC | 179.7° | 179.7° |
| CAF | CAD | CAH | CAE | 0.2° | 0.3° |
| CAI | CAF | CAD | CAH | 0.3° | 0.0° |
| CAF | CAI | CAG | CAE | 0.3° | 0.3° |
| CAI | CAF | CAD | H7 | 179.7° | 179.7° |
| CAF | CAI | CAG | H10 | 179.7° | 179.7° |
| CAF | CAI | CAJ | H11 | 10.0° | 0.0° |
| CAD | CAH | OAC | CAE | 179.8° | 179.9° |
| CAD | CAH | CAE | CAG | 0.1° | 0.5° |
| CAD | CAH | CAE | H8 | 179.9° | 180.0° |
| CAH | CAD | CAF | H9 | 179.7° | 180.0° |
| CAD | CAH | OAC | H12 | 180.0° | 90.1° |
| CAI | CAG | CAE | CAH | 0.2° | 0.5° |
| CAI | CAG | CAE | H10 | 180.0° | 180.0° |
| CAI | CAG | CAE | H8 | 179.8° | 180.0° |
| CAG | CAI | CAF | H9 | 179.7° | 180.0° |
| CAG | CAI | CAJ | H11 | 170.3° | 180.0° |
| OAC | CAH | CAE | CAG | 179.7° | 179.4° |
| OAC | CAH | CAD | H7 | 0.4° | 0.0° |
| OAC | CAH | CAE | H8 | 0.3° | 0.1° |
| CAH | CAE | CAG | H8 | 180.0° | 179.5° |
| CAE | CAH | CAD | H7 | 179.8° | 180.0° |
| CAH | CAE | CAG | H10 | 179.8° | 179.5° |
| CAE | CAH | OAC | H12 | 0.2° | 90.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAJ | H11 | 62.0° | 60.0° |
| H2 | CAA | CAJ | H11 | 58.0° | 180.0° |
| H3 | CAA | CAJ | H11 | 178.0° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H4 | CAB | CAJ | H11 | 60.3° | 60.0° |
| H5 | CAB | CAJ | H11 | 59.7° | 60.0° |
| H6 | CAB | CAJ | H11 | 179.7° | 180.0° |
| H7 | CAD | CAF | H9 | 0.3° | 0.4° |
| H8 | CAE | CAG | H10 | 0.2° | 0.0° |
