ZS1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.37Å | 1.32Å | |
| N1 | C | doub | 1.31Å | 1.34Å | |
| C1 | N1 | sing | 1.36Å | 1.35Å | |
| N2 | C1 | doub | 1.30Å | 1.26Å | |
| C1 | C2 | sing | 1.49Å | 1.47Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C | sing | 1.48Å | 1.48Å | |
| C2 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 124.0° | 125.3° |
| N | C | C7 | 124.7° | 125.3° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H | 120.0° | 120.0° |
| C | N1 | C1 | 108.0° | 111.4° |
| N1 | C | C7 | 111.2° | 109.3° |
| N1 | C1 | N2 | 123.1° | 126.1° |
| N1 | C1 | C2 | 110.0° | 107.9° |
| N2 | C1 | C2 | 126.9° | 126.0° |
| C1 | N2 | H2 | 112.0° | 120.0° |
| C1 | C2 | C3 | 132.5° | 134.6° |
| C1 | C2 | C7 | 106.3° | 105.3° |
| C2 | C3 | C4 | 117.4° | 119.7° |
| C3 | C2 | C7 | 121.2° | 120.1° |
| C2 | C3 | H3 | 121.3° | 120.1° |
| C3 | C4 | C5 | 121.3° | 120.4° |
| C3 | C4 | H4 | 119.3° | 119.8° |
| C4 | C3 | H3 | 121.3° | 120.2° |
| C4 | C5 | C6 | 121.2° | 120.4° |
| C4 | C5 | H5 | 119.4° | 119.8° |
| C5 | C4 | H4 | 119.3° | 119.8° |
| C5 | C6 | C7 | 117.2° | 119.7° |
| C6 | C5 | H5 | 119.4° | 119.8° |
| C5 | C6 | H6 | 121.4° | 120.1° |
| C6 | C7 | C | 133.9° | 134.4° |
| C6 | C7 | C2 | 121.6° | 119.7° |
| C7 | C6 | H6 | 121.4° | 120.2° |
| C | C7 | C2 | 104.5° | 106.0° |
| H1 | N | H | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C7 | 178.8° | 180.0° |
| N | C | N1 | C1 | 178.5° | 180.0° |
| N | C | C7 | C6 | 1.0° | 0.1° |
| N | C | C7 | C2 | 178.0° | 180.0° |
| C | N | H1 | H | 180.0° | 179.9° |
| C | N1 | C1 | N2 | 178.0° | 179.9° |
| C | N1 | C1 | C2 | 0.3° | 0.0° |
| N1 | C | C7 | C6 | 179.8° | 179.9° |
| N1 | C | C7 | C2 | 0.8° | 0.0° |
| N1 | C | N | H1 | 0.0° | 0.1° |
| N1 | C | N | H | 180.0° | 180.0° |
| N1 | C1 | N2 | C2 | 177.9° | 179.9° |
| N1 | C1 | C2 | C3 | 179.9° | 180.0° |
| C1 | N1 | C | C7 | 0.3° | 0.0° |
| N1 | C1 | C2 | C7 | 0.8° | 0.0° |
| N1 | C1 | N2 | H2 | 0.0° | 0.1° |
| N2 | C1 | C2 | C3 | 1.7° | 0.1° |
| N2 | C1 | C2 | C7 | 177.4° | 179.9° |
| C1 | C2 | C3 | C7 | 179.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C7 | C6 | 180.0° | 180.0° |
| C1 | C2 | C7 | C | 0.9° | 0.0° |
| C2 | C1 | N2 | H2 | 177.9° | 180.0° |
| C1 | C2 | C3 | H3 | 0.5° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C7 | C6 | 0.8° | 0.0° |
| C3 | C2 | C7 | C | 179.9° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | C7 | 0.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C | 179.4° | 180.0° |
| C5 | C6 | C7 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C6 | C7 | C | C2 | 179.0° | 179.9° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C | C7 | C6 | H6 | 0.6° | 0.1° |
| C7 | C | N | H1 | 178.6° | 179.9° |
| C7 | C | N | H | 1.4° | 0.0° |
| C2 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | C2 | C3 | H3 | 179.5° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H5 | C5 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
