36N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| N10 | C5 | sing | 1.33Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | C1 | doub | 1.34Å | 1.34Å | Aromatic |
| C6 | N7 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C1 | sing | 1.46Å | 1.47Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N10 | C5 | 119.8° | 119.9° |
| N10 | C9 | C8 | 120.8° | 120.6° |
| N10 | C9 | H5 | 119.6° | 119.6° |
| N10 | C5 | N3 | 133.3° | 133.5° |
| N10 | C5 | C6 | 119.4° | 119.4° |
| C9 | C8 | N7 | 120.3° | 120.4° |
| C9 | C8 | H2 | 119.8° | 119.8° |
| C8 | C9 | H5 | 119.6° | 119.7° |
| C5 | N3 | C2 | 109.7° | 110.0° |
| N3 | C5 | C6 | 107.3° | 107.2° |
| C5 | N3 | H1 | 125.1° | 125.0° |
| N3 | C2 | C1 | 110.2° | 110.0° |
| C2 | N3 | H1 | 125.1° | 125.0° |
| N3 | C2 | H4 | 124.9° | 125.0° |
| C5 | C6 | N7 | 120.0° | 120.0° |
| C5 | C6 | C1 | 106.0° | 105.9° |
| C8 | N7 | C6 | 119.6° | 119.6° |
| N7 | C8 | H2 | 119.9° | 119.8° |
| C2 | C1 | C6 | 106.8° | 107.0° |
| C2 | C1 | H3 | 126.6° | 126.5° |
| C1 | C2 | H4 | 124.9° | 125.0° |
| N7 | C6 | C1 | 134.0° | 134.0° |
| C6 | C1 | H3 | 126.6° | 126.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C9 | N10 | C5 | N3 | 179.9° | 180.0° |
| C9 | N10 | C5 | C6 | 0.1° | 0.0° |
| N10 | C9 | C8 | N7 | 0.1° | 0.0° |
| N10 | C9 | C8 | H2 | 179.9° | 179.9° |
| C5 | N10 | C9 | C8 | 0.1° | 0.0° |
| N10 | C5 | N3 | C6 | 180.0° | 180.0° |
| N10 | C5 | N3 | C2 | 180.0° | 180.0° |
| N10 | C5 | C6 | N7 | 0.0° | 0.0° |
| N10 | C5 | C6 | C1 | 180.0° | 180.0° |
| N10 | C5 | N3 | H1 | 0.1° | 0.3° |
| C5 | N10 | C9 | H5 | 179.9° | 180.0° |
| C9 | C8 | N7 | H2 | 180.0° | 179.9° |
| C9 | C8 | N7 | C6 | 0.2° | 0.0° |
| C5 | N3 | C2 | H1 | 180.0° | 179.7° |
| C5 | N3 | C2 | C1 | 0.1° | 0.0° |
| N3 | C5 | C6 | N7 | 180.0° | 180.0° |
| N3 | C5 | C6 | C1 | 0.0° | 0.0° |
| C5 | N3 | C2 | H4 | 179.9° | 180.0° |
| C2 | N3 | C5 | C6 | 0.0° | 0.0° |
| N3 | C2 | C1 | H4 | 180.0° | 180.0° |
| N3 | C2 | C1 | C6 | 0.1° | 0.0° |
| N3 | C2 | C1 | H3 | 179.9° | 179.9° |
| C5 | C6 | N7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | N7 | C1 | 180.0° | 180.0° |
| C6 | C5 | N3 | H1 | 179.9° | 179.7° |
| C5 | C6 | C1 | H3 | 179.9° | 179.9° |
| C8 | N7 | C6 | C1 | 179.9° | 180.0° |
| N7 | C8 | C9 | H5 | 179.9° | 180.0° |
| C2 | C1 | C6 | N7 | 180.0° | 180.0° |
| C2 | C1 | C6 | H3 | 180.0° | 179.9° |
| C1 | C2 | N3 | H1 | 179.9° | 179.7° |
| C6 | N7 | C8 | H2 | 179.7° | 179.9° |
| N7 | C6 | C1 | H3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H4 | 179.9° | 180.0° |
| H1 | N3 | C2 | H4 | 0.1° | 0.3° |
| H2 | C8 | C9 | H5 | 0.1° | 0.1° |
| H3 | C1 | C2 | H4 | 0.2° | 0.1° |
