JNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.46Å | 1.42Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.35Å | |
| N3 | N4 | sing | 1.40Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 122.2° | 120.6° |
| C8 | C7 | C6 | 122.5° | 120.8° |
| C7 | C8 | H8 | 118.9° | 119.7° |
| C8 | C7 | H7 | 118.7° | 119.6° |
| C8 | C9 | C10 | 116.4° | 119.6° |
| C9 | C8 | H8 | 118.9° | 119.7° |
| C8 | C9 | H9 | 121.8° | 120.2° |
| C7 | C6 | C5 | 114.2° | 119.8° |
| C6 | C7 | H7 | 118.8° | 119.6° |
| C7 | C6 | H6 | 122.9° | 120.1° |
| C9 | C10 | C5 | 119.8° | 119.7° |
| C9 | C10 | C2 | 134.6° | 134.0° |
| C10 | C9 | H9 | 121.8° | 120.1° |
| C6 | C5 | C10 | 124.8° | 119.4° |
| C6 | C5 | N4 | 130.1° | 133.8° |
| C5 | C6 | H6 | 122.9° | 120.1° |
| C5 | C10 | C2 | 105.6° | 106.3° |
| C10 | C5 | N4 | 105.0° | 106.8° |
| C10 | C2 | N3 | 111.0° | 107.6° |
| C10 | C2 | N1 | 122.4° | 126.2° |
| C5 | N4 | N3 | 114.0° | 109.2° |
| C5 | N4 | HN4 | 123.0° | 125.4° |
| N3 | C2 | N1 | 126.6° | 126.2° |
| C2 | N3 | N4 | 104.4° | 110.1° |
| C2 | N1 | HN1 | 109.5° | 120.0° |
| C2 | N1 | HN1A | 109.5° | 120.0° |
| N3 | N4 | HN4 | 123.0° | 125.4° |
| HN1 | N1 | HN1A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.0° | 0.0° |
| C8 | C9 | C10 | C2 | 179.9° | 180.0° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.0° |
| C7 | C6 | C5 | N4 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.8° | 179.8° |
| C9 | C10 | C5 | C6 | 0.2° | 0.0° |
| C9 | C10 | C5 | C2 | 179.9° | 180.0° |
| C9 | C10 | C5 | N4 | 180.0° | 180.0° |
| C9 | C10 | C2 | N3 | 179.9° | 180.0° |
| C9 | C10 | C2 | N1 | 0.2° | 0.0° |
| C10 | C9 | C8 | H8 | 179.8° | 179.8° |
| C6 | C5 | C10 | N4 | 179.7° | 180.0° |
| C6 | C5 | C10 | C2 | 179.7° | 180.0° |
| C6 | C5 | N4 | N3 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C5 | N4 | HN4 | 0.4° | 0.0° |
| C5 | C10 | C2 | N3 | 0.0° | 0.0° |
| C5 | C10 | C2 | N1 | 179.7° | 180.0° |
| C10 | C5 | N4 | N3 | 0.1° | 0.0° |
| C5 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C5 | C6 | H6 | 179.8° | 180.0° |
| C10 | C5 | N4 | HN4 | 179.9° | 180.0° |
| C2 | C10 | C5 | N4 | 0.0° | 0.0° |
| C10 | C2 | N3 | N1 | 179.7° | 180.0° |
| C10 | C2 | N3 | N4 | 0.0° | 0.0° |
| C2 | C10 | C9 | H9 | 0.1° | 0.0° |
| C10 | C2 | N1 | HN1 | 179.7° | 0.0° |
| C10 | C2 | N1 | HN1A | 59.7° | 180.0° |
| C5 | N4 | N3 | C2 | 0.0° | 0.0° |
| C5 | N4 | N3 | HN4 | 180.0° | 180.0° |
| N4 | C5 | C6 | H6 | 0.1° | 0.0° |
| C2 | N3 | N4 | HN4 | 179.9° | 180.0° |
| N3 | C2 | N1 | HN1 | 0.0° | 180.0° |
| N3 | C2 | N1 | HN1A | 120.0° | 0.0° |
| N1 | C2 | N3 | N4 | 179.7° | 180.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 180.0° |
| H8 | C8 | C7 | H7 | 0.2° | 0.2° |
| H8 | C8 | C9 | H9 | 0.2° | 0.2° |
| H7 | C7 | C6 | H6 | 0.0° | 0.0° |
