ZPJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.21Å | 1.25Å | |
| C04 | O06 | sing | 1.34Å | 1.26Å | |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C03 | C01 | sing | 1.53Å | 1.48Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| O06 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | O06 | 128.0° | 120.0° |
| O05 | C04 | C03 | 114.5° | 120.0° |
| O06 | C04 | C03 | 117.5° | 120.0° |
| C04 | O06 | H6 | 109.5° | 117.0° |
| C04 | C03 | C02 | 115.9° | 117.5° |
| C04 | C03 | C01 | 116.9° | 117.5° |
| C04 | C03 | H5 | 116.7° | 115.6° |
| C02 | C03 | C01 | 61.4° | 60.0° |
| C03 | C02 | C01 | 58.9° | 60.0° |
| C03 | C02 | H3 | 120.2° | 117.5° |
| C03 | C02 | H4 | 120.2° | 117.5° |
| C02 | C03 | H5 | 117.1° | 117.5° |
| C03 | C01 | C02 | 59.6° | 60.0° |
| C03 | C01 | H1 | 120.0° | 117.5° |
| C03 | C01 | H2 | 120.1° | 117.5° |
| C01 | C03 | H5 | 117.4° | 117.5° |
| C02 | C01 | H1 | 120.1° | 117.5° |
| C02 | C01 | H2 | 120.1° | 117.5° |
| C01 | C02 | H3 | 120.2° | 117.5° |
| C01 | C02 | H4 | 120.2° | 117.5° |
| H1 | C01 | H2 | 109.5° | 115.6° |
| H3 | C02 | H4 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | O06 | C03 | 178.4° | 179.9° |
| O05 | C04 | C03 | C02 | 79.3° | 0.0° |
| O05 | C04 | C03 | C01 | 148.8° | 68.6° |
| O05 | C04 | C03 | H5 | 64.9° | 145.7° |
| O05 | C04 | O06 | H6 | 0.0° | 0.1° |
| O06 | C04 | C03 | C02 | 99.3° | 179.9° |
| O06 | C04 | C03 | C01 | 29.8° | 111.4° |
| O06 | C04 | C03 | H5 | 116.5° | 34.3° |
| C04 | C03 | C02 | C01 | 108.0° | 107.5° |
| C04 | C03 | C02 | H5 | 144.0° | 145.1° |
| C04 | C03 | C01 | H5 | 146.0° | 145.0° |
| C04 | C03 | C01 | H1 | 144.3° | 0.0° |
| C04 | C03 | C01 | H2 | 3.0° | 145.0° |
| C04 | C03 | C02 | H3 | 1.2° | 145.0° |
| C04 | C03 | C02 | H4 | 142.9° | 0.1° |
| C03 | C04 | O06 | H6 | 178.5° | 180.0° |
| C02 | C03 | C01 | H5 | 107.6° | 107.5° |
| C03 | C02 | C01 | H3 | 109.2° | 107.5° |
| C03 | C02 | C01 | H4 | 109.2° | 107.5° |
| C02 | C03 | C01 | H1 | 109.4° | 107.5° |
| C02 | C03 | C01 | H2 | 109.4° | 107.5° |
| C03 | C02 | H3 | H4 | 145.4° | 145.6° |
| C03 | C01 | H1 | H2 | 144.9° | 145.7° |
| C02 | C01 | H1 | H2 | 144.9° | 145.7° |
| C01 | C02 | H3 | H4 | 145.3° | 145.7° |
| H1 | C01 | C02 | H3 | 141.5° | 145.1° |
| H1 | C01 | C02 | H4 | 0.2° | 0.0° |
| H1 | C01 | C03 | H5 | 1.7° | 145.1° |
| H2 | C01 | C02 | H3 | 0.2° | 0.0° |
| H2 | C01 | C02 | H4 | 141.4° | 145.0° |
| H2 | C01 | C03 | H5 | 143.0° | 0.0° |
| H3 | C02 | C03 | H5 | 142.8° | 0.1° |
| H4 | C02 | C03 | H5 | 1.2° | 145.0° |
