PZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C8 | sing | 1.47Å | 1.51Å | |
| N7 | C12 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C9 | N10 | sing | 1.47Å | 1.52Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.59Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 1.01Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N7 | C12 | 120.1° | 110.9° |
| N7 | C8 | C9 | 110.7° | 109.4° |
| C8 | N7 | HN7 | 106.0° | 111.0° |
| N7 | C8 | H8 | 109.1° | 109.5° |
| N7 | C8 | H8A | 109.1° | 109.5° |
| N7 | C12 | C11 | 105.5° | 109.4° |
| C12 | N7 | HN7 | 106.1° | 111.0° |
| N7 | C12 | H12 | 110.8° | 109.5° |
| N7 | C12 | H12A | 110.8° | 109.5° |
| C8 | C9 | N10 | 109.3° | 109.4° |
| C9 | C8 | H8 | 109.1° | 109.5° |
| C9 | C8 | H8A | 109.1° | 109.5° |
| C8 | C9 | H9 | 109.6° | 109.5° |
| C8 | C9 | H9A | 109.6° | 109.5° |
| C9 | N10 | C11 | 121.9° | 110.9° |
| N10 | C9 | H9 | 109.6° | 109.5° |
| N10 | C9 | H9A | 109.5° | 109.5° |
| C9 | N10 | HN10 | 105.6° | 111.0° |
| N10 | C11 | C12 | 109.7° | 109.4° |
| C11 | N10 | HN10 | 105.5° | 111.0° |
| N10 | C11 | H11 | 109.4° | 109.5° |
| N10 | C11 | H11A | 109.4° | 109.5° |
| C12 | C11 | H11 | 109.4° | 109.5° |
| C12 | C11 | H11A | 109.4° | 109.5° |
| C11 | C12 | H12 | 110.8° | 109.5° |
| C11 | C12 | H12A | 110.8° | 109.5° |
| H8 | C8 | H8A | 109.9° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H12 | C12 | H12A | 108.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N7 | C12 | HN7 | 120.0° | 123.9° |
| N7 | C8 | C9 | H8 | 120.0° | 120.0° |
| N7 | C8 | C9 | H8A | 120.0° | 120.0° |
| N7 | C8 | C9 | N10 | 37.0° | 58.4° |
| C8 | N7 | C12 | C11 | 60.7° | 59.4° |
| N7 | C8 | H8 | H8A | 119.5° | 120.1° |
| N7 | C8 | C9 | H9 | 157.0° | 178.4° |
| N7 | C8 | C9 | H9A | 83.0° | 61.6° |
| C8 | N7 | C12 | H12 | 179.3° | 179.3° |
| C8 | N7 | C12 | H12A | 59.3° | 60.7° |
| C12 | N7 | C8 | C9 | 53.4° | 59.4° |
| N7 | C12 | C11 | N10 | 54.2° | 58.4° |
| N7 | C12 | C11 | H12 | 120.0° | 119.9° |
| N7 | C12 | C11 | H12A | 120.0° | 120.0° |
| C12 | N7 | C8 | H8 | 66.6° | 60.6° |
| C12 | N7 | C8 | H8A | 173.4° | 179.3° |
| N7 | C12 | C11 | H11 | 174.2° | 178.4° |
| N7 | C12 | C11 | H11A | 65.8° | 61.6° |
| N7 | C12 | H12 | H12A | 121.6° | 120.1° |
| C8 | C9 | N10 | H9 | 120.0° | 119.9° |
| C8 | C9 | N10 | H9A | 120.0° | 120.0° |
| C8 | C9 | N10 | C11 | 42.3° | 59.4° |
| C9 | C8 | N7 | HN7 | 66.6° | 64.5° |
| C9 | C8 | H8 | H8A | 119.5° | 120.0° |
| C8 | C9 | H9 | H9A | 120.1° | 120.1° |
| C8 | C9 | N10 | HN10 | 77.7° | 64.5° |
| C9 | N10 | C11 | HN10 | 120.0° | 123.9° |
| C9 | N10 | C11 | C12 | 51.9° | 59.4° |
| N10 | C9 | C8 | H8 | 83.0° | 61.6° |
| N10 | C9 | C8 | H8A | 157.0° | 178.4° |
| N10 | C9 | H9 | H9A | 120.1° | 120.1° |
| C9 | N10 | C11 | H11 | 171.9° | 179.3° |
| C9 | N10 | C11 | H11A | 68.2° | 60.6° |
| N10 | C11 | C12 | H11 | 120.0° | 120.0° |
| N10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C11 | N10 | C9 | H9 | 162.3° | 179.3° |
| C11 | N10 | C9 | H9A | 77.7° | 60.7° |
| N10 | C11 | H11 | H11A | 119.9° | 120.1° |
| N10 | C11 | C12 | H12 | 174.1° | 178.4° |
| N10 | C11 | C12 | H12A | 65.8° | 61.6° |
| C11 | C12 | N7 | HN7 | 59.3° | 64.5° |
| C12 | C11 | N10 | HN10 | 68.2° | 64.5° |
| C12 | C11 | H11 | H11A | 119.9° | 120.0° |
| C11 | C12 | H12 | H12A | 121.7° | 120.1° |
| HN7 | N7 | C8 | H8 | 173.4° | 175.5° |
| HN7 | N7 | C8 | H8A | 53.4° | 55.4° |
| HN7 | N7 | C12 | H12 | 60.7° | 55.4° |
| HN7 | N7 | C12 | H12A | 179.3° | 175.5° |
| H8 | C8 | C9 | H9 | 37.0° | 58.4° |
| H8 | C8 | C9 | H9A | 157.0° | 178.4° |
| H8A | C8 | C9 | H9 | 83.0° | 61.6° |
| H8A | C8 | C9 | H9A | 37.0° | 58.4° |
| H9 | C9 | N10 | HN10 | 42.3° | 55.4° |
| H9A | C9 | N10 | HN10 | 162.3° | 175.5° |
| HN10 | N10 | C11 | H11 | 51.8° | 55.4° |
| HN10 | N10 | C11 | H11A | 171.8° | 175.5° |
| H11 | C11 | C12 | H12 | 65.8° | 61.6° |
| H11 | C11 | C12 | H12A | 54.2° | 58.4° |
| H11A | C11 | C12 | H12 | 54.1° | 58.4° |
| H11A | C11 | C12 | H12A | 174.2° | 178.4° |
