JOZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.51Å | 1.49Å | |
| C6 | N10 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.35Å | 1.38Å | |
| C9 | O11 | doub | 1.22Å | 1.23Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C4 | C2 | 119.9° | 119.6° |
| C4 | C8 | C7 | 121.1° | 120.0° |
| C4 | C8 | C9 | 118.2° | 121.2° |
| C8 | C4 | H4 | 120.1° | 120.2° |
| C4 | C2 | C1 | 119.6° | 120.1° |
| C2 | C4 | H4 | 120.1° | 120.2° |
| C4 | C2 | H2 | 120.2° | 119.9° |
| C6 | C5 | C7 | 109.4° | 110.0° |
| C5 | C6 | N10 | 111.8° | 111.0° |
| C6 | C5 | H5 | 109.5° | 109.4° |
| C6 | C5 | H5A | 109.5° | 109.4° |
| C5 | C6 | H6 | 108.7° | 109.2° |
| C5 | C6 | H6A | 108.7° | 109.1° |
| C5 | C7 | C8 | 120.6° | 119.2° |
| C5 | C7 | C3 | 120.4° | 121.0° |
| C7 | C5 | H5 | 109.5° | 109.4° |
| C7 | C5 | H5A | 109.5° | 109.4° |
| C6 | N10 | C9 | 122.8° | 121.2° |
| N10 | C6 | H6 | 108.7° | 109.2° |
| N10 | C6 | H6A | 108.7° | 109.2° |
| C6 | N10 | HN10 | 118.6° | 119.4° |
| C8 | C7 | C3 | 119.0° | 119.9° |
| C7 | C8 | C9 | 120.7° | 118.8° |
| C7 | C3 | C1 | 120.2° | 119.9° |
| C7 | C3 | H3 | 119.9° | 120.1° |
| C8 | C9 | N10 | 115.3° | 119.1° |
| C8 | C9 | O11 | 119.2° | 120.5° |
| C2 | C1 | C3 | 120.3° | 120.4° |
| C2 | C1 | H1 | 119.8° | 119.8° |
| C1 | C2 | H2 | 120.2° | 119.9° |
| C3 | C1 | H1 | 119.8° | 119.8° |
| C1 | C3 | H3 | 119.9° | 120.0° |
| N10 | C9 | O11 | 125.5° | 120.5° |
| C9 | N10 | HN10 | 118.6° | 119.4° |
| H5 | C5 | H5A | 109.4° | 109.3° |
| H6 | C6 | H6A | 110.2° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C4 | C2 | H4 | 180.0° | 179.7° |
| C4 | C8 | C7 | C5 | 179.7° | 180.0° |
| C4 | C8 | C7 | C9 | 179.6° | 179.9° |
| C4 | C8 | C7 | C3 | 0.0° | 0.0° |
| C8 | C4 | C2 | C1 | 0.2° | 0.1° |
| C4 | C8 | C9 | N10 | 165.5° | 162.3° |
| C4 | C8 | C9 | O11 | 15.0° | 17.7° |
| C8 | C4 | C2 | H2 | 179.8° | 179.9° |
| C2 | C4 | C8 | C7 | 0.2° | 0.1° |
| C2 | C4 | C8 | C9 | 179.8° | 179.9° |
| C4 | C2 | C1 | H2 | 180.0° | 180.0° |
| C4 | C2 | C1 | C3 | 0.0° | 0.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C7 | H5 | 120.0° | 120.2° |
| C6 | C5 | C7 | H5A | 120.0° | 120.1° |
| C5 | C6 | N10 | H6 | 120.0° | 120.4° |
| C5 | C6 | N10 | H6A | 120.0° | 120.3° |
| C6 | C5 | C7 | C8 | 32.1° | 34.0° |
| C6 | C5 | C7 | C3 | 148.2° | 146.0° |
| C5 | C6 | N10 | C9 | 39.4° | 37.8° |
| C6 | C5 | H5 | H5A | 120.0° | 119.7° |
| C5 | C6 | H6 | H6A | 119.1° | 119.2° |
| C5 | C6 | N10 | HN10 | 140.6° | 142.3° |
| C7 | C5 | C6 | N10 | 49.4° | 51.1° |
| C5 | C7 | C8 | C3 | 179.7° | 180.0° |
| C5 | C7 | C8 | C9 | 0.1° | 0.1° |
| C5 | C7 | C3 | C1 | 179.9° | 179.9° |
| C7 | C5 | H5 | H5A | 120.0° | 119.7° |
| C7 | C5 | C6 | H6 | 70.5° | 171.6° |
| C7 | C5 | C6 | H6A | 169.5° | 69.2° |
| C5 | C7 | C3 | H3 | 0.1° | 0.0° |
| C6 | N10 | C9 | C8 | 6.3° | 2.9° |
| C6 | N10 | C9 | HN10 | 180.0° | 179.9° |
| C6 | N10 | C9 | O11 | 174.3° | 177.2° |
| N10 | C6 | C5 | H5 | 70.6° | 171.3° |
| N10 | C6 | C5 | H5A | 169.4° | 69.0° |
| N10 | C6 | H6 | H6A | 119.1° | 119.3° |
| C8 | C7 | C3 | C1 | 0.2° | 0.1° |
| C7 | C8 | C9 | N10 | 14.8° | 17.6° |
| C7 | C8 | C9 | O11 | 164.7° | 162.4° |
| C7 | C8 | C4 | H4 | 179.8° | 179.7° |
| C8 | C7 | C5 | H5 | 87.9° | 154.1° |
| C8 | C7 | C5 | H5A | 152.1° | 86.2° |
| C8 | C7 | C3 | H3 | 179.8° | 180.0° |
| C3 | C7 | C8 | C9 | 179.6° | 179.9° |
| C7 | C3 | C1 | C2 | 0.2° | 0.1° |
| C7 | C3 | C1 | H3 | 180.0° | 179.9° |
| C3 | C7 | C5 | H5 | 91.8° | 25.8° |
| C3 | C7 | C5 | H5A | 28.2° | 93.9° |
| C7 | C3 | C1 | H1 | 179.8° | 179.9° |
| C8 | C9 | N10 | O11 | 179.5° | 180.0° |
| C9 | C8 | C4 | H4 | 0.2° | 0.4° |
| C8 | C9 | N10 | HN10 | 173.7° | 177.2° |
| C2 | C1 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C4 | H4 | 179.8° | 179.7° |
| C2 | C1 | C3 | H3 | 179.8° | 180.0° |
| C3 | C1 | C2 | H2 | 180.0° | 180.0° |
| C9 | N10 | C6 | H6 | 80.6° | 158.2° |
| C9 | N10 | C6 | H6A | 159.4° | 82.6° |
| O11 | C9 | N10 | HN10 | 5.7° | 2.8° |
| H4 | C4 | C2 | H2 | 0.2° | 0.3° |
| H5 | C5 | C6 | H6 | 169.4° | 68.3° |
| H5 | C5 | C6 | H6A | 49.5° | 50.9° |
| H5A | C5 | C6 | H6 | 49.4° | 51.4° |
| H5A | C5 | C6 | H6A | 70.6° | 170.6° |
| H6 | C6 | N10 | HN10 | 99.4° | 21.9° |
| H6A | C6 | N10 | HN10 | 20.6° | 97.4° |
| H1 | C1 | C2 | H2 | 0.0° | 0.0° |
| H1 | C1 | C3 | H3 | 0.2° | 0.0° |
