ZSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.40Å | |
| C | N1 | doub | 1.30Å | 1.32Å | |
| N2 | C | sing | 1.38Å | 1.35Å | |
| N3 | N2 | sing | 1.40Å | 1.38Å | |
| C1 | N3 | doub | 1.31Å | 1.31Å | |
| C1 | N4 | sing | 1.36Å | 1.38Å | |
| N4 | C2 | doub | 1.31Å | 1.33Å | |
| N5 | C2 | sing | 1.38Å | 1.34Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C1 | sing | 1.48Å | 1.47Å | |
| C3 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 122.7° | 120.0° |
| N | C | N2 | 115.8° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H | 120.0° | 120.0° |
| N1 | C | N2 | 121.5° | 120.0° |
| C | N1 | H2 | 112.0° | 120.1° |
| C | N2 | N3 | 117.8° | 120.0° |
| C | N2 | H3 | 121.1° | 120.0° |
| N2 | N3 | C1 | 115.5° | 120.0° |
| N3 | N2 | H3 | 121.1° | 120.0° |
| N3 | C1 | N4 | 129.2° | 126.1° |
| N3 | C1 | C8 | 120.9° | 126.0° |
| C1 | N4 | C2 | 106.7° | 111.5° |
| N4 | C1 | C8 | 109.9° | 107.9° |
| N4 | C2 | N5 | 123.7° | 125.4° |
| N4 | C2 | C3 | 111.9° | 109.3° |
| N5 | C2 | C3 | 124.4° | 125.4° |
| C2 | N5 | H5 | 120.0° | 120.0° |
| C2 | N5 | H4 | 120.0° | 120.0° |
| C2 | C3 | C4 | 134.1° | 134.4° |
| C2 | C3 | C8 | 105.3° | 106.0° |
| C3 | C4 | C5 | 118.8° | 119.7° |
| C4 | C3 | C8 | 120.6° | 119.6° |
| C3 | C4 | H6 | 120.6° | 120.1° |
| C4 | C5 | C6 | 120.6° | 120.7° |
| C4 | C5 | H7 | 119.7° | 119.7° |
| C5 | C4 | H6 | 120.6° | 120.2° |
| C5 | C6 | C7 | 120.6° | 120.5° |
| C6 | C5 | H7 | 119.7° | 119.6° |
| C5 | C6 | H8 | 119.7° | 119.7° |
| C6 | C7 | C8 | 118.7° | 119.7° |
| C6 | C7 | H9 | 120.7° | 120.2° |
| C7 | C6 | H8 | 119.7° | 119.8° |
| C7 | C8 | C1 | 133.1° | 134.7° |
| C7 | C8 | C3 | 120.7° | 119.9° |
| C8 | C7 | H9 | 120.6° | 120.2° |
| C1 | C8 | C3 | 106.2° | 105.3° |
| H1 | N | H | 120.0° | 120.1° |
| H5 | N5 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | N2 | 178.2° | 180.0° |
| N | C | N2 | N3 | 2.4° | 180.0° |
| N | C | N1 | H2 | 178.2° | 180.0° |
| N | C | N2 | H3 | 177.6° | 0.0° |
| C | N | H1 | H | 180.0° | 180.0° |
| N1 | C | N2 | N3 | 175.9° | 0.0° |
| N1 | C | N2 | H3 | 4.1° | 180.0° |
| N1 | C | N | H1 | 178.3° | 180.0° |
| N1 | C | N | H | 1.7° | 0.0° |
| C | N2 | N3 | H3 | 180.0° | 180.0° |
| C | N2 | N3 | C1 | 179.9° | 180.0° |
| N2 | C | N1 | H2 | 0.0° | 0.0° |
| N2 | C | N | H1 | 0.0° | 0.0° |
| N2 | C | N | H | 180.0° | 180.0° |
| N2 | N3 | C1 | N4 | 1.0° | 0.1° |
| N2 | N3 | C1 | C8 | 178.7° | 180.0° |
| N3 | C1 | N4 | C8 | 179.7° | 179.9° |
| N3 | C1 | N4 | C2 | 179.4° | 179.6° |
| N3 | C1 | C8 | C7 | 0.6° | 0.1° |
| N3 | C1 | C8 | C3 | 179.4° | 180.0° |
| C1 | N3 | N2 | H3 | 0.1° | 0.0° |
| C1 | N4 | C2 | N5 | 178.7° | 179.5° |
| C1 | N4 | C2 | C3 | 0.2° | 0.7° |
| N4 | C1 | C8 | C7 | 179.1° | 180.0° |
| N4 | C1 | C8 | C3 | 0.4° | 0.1° |
| N4 | C2 | N5 | C3 | 178.8° | 179.8° |
| N4 | C2 | C3 | C4 | 178.9° | 179.8° |
| C2 | N4 | C1 | C8 | 0.3° | 0.5° |
| N4 | C2 | C3 | C8 | 0.0° | 0.6° |
| N4 | C2 | N5 | H5 | 0.0° | 179.8° |
| N4 | C2 | N5 | H4 | 180.0° | 0.3° |
| N5 | C2 | C3 | C4 | 0.0° | 0.0° |
| N5 | C2 | C3 | C8 | 178.9° | 179.5° |
| C2 | N5 | H5 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C8 | 178.9° | 179.5° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C8 | C7 | 179.2° | 179.6° |
| C2 | C3 | C8 | C1 | 0.2° | 0.3° |
| C2 | C3 | C4 | H6 | 1.3° | 0.7° |
| C3 | C2 | N5 | H5 | 178.7° | 0.0° |
| C3 | C2 | N5 | H4 | 1.2° | 179.9° |
| C3 | C4 | C5 | H6 | 180.0° | 179.3° |
| C3 | C4 | C5 | C6 | 0.2° | 0.7° |
| C4 | C3 | C8 | C7 | 0.0° | 0.1° |
| C4 | C3 | C8 | C1 | 178.9° | 180.0° |
| C3 | C4 | C5 | H7 | 179.8° | 179.7° |
| C4 | C5 | C6 | H7 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 0.1° | 0.4° |
| C5 | C4 | C3 | C8 | 0.2° | 0.5° |
| C4 | C5 | C6 | H8 | 179.9° | 179.5° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H9 | 179.9° | 179.7° |
| C6 | C5 | C4 | H6 | 179.7° | 180.0° |
| C6 | C7 | C8 | H9 | 180.0° | 179.6° |
| C6 | C7 | C8 | C1 | 178.5° | 179.8° |
| C6 | C7 | C8 | C3 | 0.2° | 0.3° |
| C7 | C6 | C5 | H7 | 179.9° | 180.0° |
| C7 | C8 | C1 | C3 | 178.8° | 179.9° |
| C8 | C7 | C6 | H8 | 179.9° | 180.0° |
| C1 | C8 | C7 | H9 | 1.5° | 0.2° |
| C3 | C8 | C7 | H9 | 179.8° | 179.9° |
| C8 | C3 | C4 | H6 | 179.8° | 179.8° |
| H9 | C7 | C6 | H8 | 0.1° | 0.4° |
| H7 | C5 | C6 | H8 | 0.1° | 0.1° |
| H7 | C5 | C4 | H6 | 0.3° | 0.4° |
