PZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.35Å | 1.47Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| C04 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | O03 | doub | 1.21Å | 1.19Å | |
| C04 | N05 | sing | 1.46Å | 1.46Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C09 | N05 | sing | 1.34Å | 1.45Å | |
| N05 | C06 | sing | 1.47Å | 1.35Å | |
| C07 | C06 | sing | 1.54Å | 1.41Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | C07 | sing | 1.55Å | 1.38Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C09 | C08 | sing | 1.51Å | 1.36Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| O10 | C09 | doub | 1.21Å | 1.40Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | HN01 | 120.0° | 120.0° |
| C02 | N01 | HN0A | 120.0° | 119.9° |
| N01 | C02 | C04 | 121.2° | 120.0° |
| N01 | C02 | O03 | 116.3° | 120.0° |
| HN01 | N01 | HN0A | 120.0° | 120.1° |
| C04 | C02 | O03 | 118.2° | 120.0° |
| C02 | C04 | N05 | 117.5° | 109.5° |
| C02 | C04 | H04 | 106.9° | 109.5° |
| C02 | C04 | H04A | 106.9° | 109.5° |
| N05 | C04 | H04 | 106.9° | 109.5° |
| N05 | C04 | H04A | 106.9° | 109.5° |
| C04 | N05 | C09 | 129.2° | 124.4° |
| C04 | N05 | C06 | 124.1° | 124.3° |
| H04 | C04 | H04A | 112.0° | 109.4° |
| C09 | N05 | C06 | 106.0° | 111.3° |
| N05 | C09 | C08 | 108.9° | 110.1° |
| N05 | C09 | O10 | 127.8° | 124.9° |
| N05 | C06 | C07 | 109.2° | 105.5° |
| N05 | C06 | H06 | 109.6° | 110.3° |
| N05 | C06 | H06A | 109.6° | 110.2° |
| C07 | C06 | H06 | 109.5° | 110.2° |
| C06 | C07 | C08 | 108.1° | 101.8° |
| C06 | C07 | H07 | 109.9° | 110.9° |
| C07 | C06 | H06A | 109.5° | 110.3° |
| C06 | C07 | H07A | 109.9° | 111.0° |
| H06 | C06 | H06A | 109.4° | 110.2° |
| C08 | C07 | H07 | 109.9° | 111.0° |
| C07 | C08 | C09 | 107.7° | 104.2° |
| C07 | C08 | H08 | 110.1° | 110.5° |
| C07 | C08 | H08A | 110.0° | 110.5° |
| C08 | C07 | H07A | 109.9° | 111.0° |
| H07 | C07 | H07A | 109.0° | 110.8° |
| C09 | C08 | H08 | 110.0° | 110.7° |
| C08 | C09 | O10 | 123.4° | 124.9° |
| C09 | C08 | H08A | 110.1° | 110.4° |
| H08 | C08 | H08A | 108.9° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | HN01 | HN0A | 180.0° | 179.8° |
| N01 | C02 | C04 | O03 | 155.9° | 180.0° |
| N01 | C02 | C04 | N05 | 142.7° | 180.0° |
| N01 | C02 | C04 | H04 | 97.3° | 60.0° |
| N01 | C02 | C04 | H04A | 22.7° | 60.0° |
| HN01 | N01 | C02 | C04 | 156.4° | 180.0° |
| HN01 | N01 | C02 | O03 | 0.0° | 0.0° |
| HN0A | N01 | C02 | C04 | 23.6° | 0.2° |
| HN0A | N01 | C02 | O03 | 180.0° | 179.7° |
| C02 | C04 | N05 | H04 | 120.0° | 120.0° |
| C02 | C04 | N05 | H04A | 120.0° | 120.0° |
| C02 | C04 | H04 | H04A | 116.7° | 120.0° |
| C02 | C04 | N05 | C09 | 177.5° | 90.3° |
| C02 | C04 | N05 | C06 | 13.6° | 90.0° |
| O03 | C02 | C04 | N05 | 13.2° | 0.0° |
| O03 | C02 | C04 | H04 | 106.7° | 120.0° |
| O03 | C02 | C04 | H04A | 133.2° | 120.0° |
| N05 | C04 | H04 | H04A | 116.7° | 120.0° |
| C04 | N05 | C09 | C06 | 170.5° | 179.7° |
| C04 | N05 | C06 | C07 | 172.1° | 163.0° |
| C04 | N05 | C06 | H06 | 52.1° | 44.0° |
| C04 | N05 | C09 | C08 | 171.7° | 179.5° |
| C04 | N05 | C09 | O10 | 9.1° | 0.4° |
| C04 | N05 | C06 | H06A | 68.0° | 77.9° |
| H04 | C04 | N05 | C09 | 57.4° | 149.7° |
| H04 | C04 | N05 | C06 | 133.6° | 30.0° |
| H04A | C04 | N05 | C09 | 62.6° | 29.7° |
| H04A | C04 | N05 | C06 | 106.4° | 150.0° |
| C09 | N05 | C06 | C07 | 1.0° | 17.3° |
| C09 | N05 | C06 | H06 | 119.0° | 136.3° |
| N05 | C09 | C08 | C07 | 1.0° | 15.9° |
| N05 | C09 | C08 | O10 | 179.3° | 179.9° |
| N05 | C09 | C08 | H08 | 121.0° | 134.6° |
| N05 | C09 | C08 | H08A | 119.0° | 102.8° |
| C09 | N05 | C06 | H06A | 120.9° | 101.8° |
| N05 | C06 | C07 | H06 | 120.0° | 119.0° |
| N05 | C06 | C07 | H06A | 120.0° | 119.0° |
| N05 | C06 | H06 | H06A | 120.1° | 122.0° |
| N05 | C06 | C07 | C08 | 0.4° | 25.4° |
| N05 | C06 | C07 | H07 | 120.4° | 92.7° |
| C06 | N05 | C09 | C08 | 1.2° | 0.8° |
| C06 | N05 | C09 | O10 | 179.5° | 179.3° |
| N05 | C06 | C07 | H07A | 119.6° | 143.6° |
| C07 | C06 | H06 | H06A | 120.1° | 122.0° |
| C06 | C07 | C08 | H07 | 120.0° | 118.1° |
| C06 | C07 | C08 | H07A | 120.0° | 118.2° |
| C06 | C07 | H07 | H07A | 120.5° | 123.8° |
| C06 | C07 | C08 | C09 | 0.4° | 24.6° |
| C06 | C07 | C08 | H08 | 120.4° | 143.5° |
| C06 | C07 | C08 | H08A | 119.6° | 94.0° |
| H06 | C06 | C07 | C08 | 119.6° | 144.4° |
| H06 | C06 | C07 | H07 | 0.4° | 26.3° |
| H06 | C06 | C07 | H07A | 120.4° | 97.4° |
| C08 | C07 | H07 | H07A | 120.6° | 123.8° |
| C07 | C08 | C09 | H08 | 120.0° | 118.8° |
| C07 | C08 | C09 | H08A | 120.0° | 118.6° |
| C07 | C08 | H08 | H08A | 120.7° | 122.5° |
| C07 | C08 | C09 | O10 | 179.7° | 164.0° |
| C08 | C07 | C06 | H06A | 120.4° | 93.6° |
| H07 | C07 | C08 | C09 | 119.6° | 93.5° |
| H07 | C07 | C08 | H08 | 0.3° | 25.4° |
| H07 | C07 | C08 | H08A | 120.4° | 147.9° |
| H07 | C07 | C06 | H06A | 119.6° | 148.3° |
| C09 | C08 | H08 | H08A | 120.7° | 122.6° |
| C09 | C08 | C07 | H07A | 120.4° | 142.8° |
| H08 | C08 | C09 | O10 | 59.7° | 45.3° |
| H08 | C08 | C07 | H07A | 119.7° | 98.3° |
| O10 | C09 | C08 | H08A | 60.3° | 77.3° |
| H08A | C08 | C07 | H07A | 0.4° | 24.2° |
| H06A | C06 | C07 | H07A | 0.4° | 24.6° |
