SZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | sing | 1.47Å | 1.45Å | |
| O | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| O | C6 | sing | 1.34Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | doub | 1.34Å | 1.49Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C5 | C4 | 110.3° | 109.5° |
| C5 | N | HN | 109.5° | 111.0° |
| C5 | N | HNA | 109.5° | 111.0° |
| N | C5 | H5 | 109.2° | 109.5° |
| N | C5 | H5A | 109.2° | 109.5° |
| C2 | O | C6 | 102.4° | 109.5° |
| O | C2 | C1 | 121.8° | 125.8° |
| O | C2 | C3 | 116.5° | 108.4° |
| O | C6 | C4 | 110.9° | 108.4° |
| O | C6 | C7 | 115.2° | 125.8° |
| C1 | C2 | C3 | 121.6° | 125.7° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C3 | C4 | 105.0° | 106.8° |
| C2 | C3 | H3 | 127.5° | 126.6° |
| C3 | C4 | C5 | 127.5° | 126.6° |
| C3 | C4 | C6 | 105.0° | 106.9° |
| C4 | C3 | H3 | 127.5° | 126.6° |
| C5 | C4 | C6 | 127.5° | 126.6° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | H5A | 109.2° | 109.5° |
| C4 | C6 | C7 | 133.8° | 125.8° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7B | 109.5° | 109.5° |
| HN | N | HNA | 109.5° | 110.9° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.7° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H7 | C7 | H7B | 109.4° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | C4 | C3 | 121.5° | 100.1° |
| N | C5 | C4 | H5 | 120.0° | 120.0° |
| N | C5 | C4 | H5A | 120.0° | 120.1° |
| N | C5 | C4 | C6 | 58.6° | 80.0° |
| C5 | N | HN | HNA | 120.0° | 123.9° |
| N | C5 | H5 | H5A | 119.7° | 120.0° |
| O | C2 | C1 | C3 | 179.8° | 179.9° |
| O | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | O | C6 | C4 | 0.2° | 0.1° |
| C2 | O | C6 | C7 | 179.7° | 180.0° |
| O | C2 | C1 | H1 | 0.0° | 0.0° |
| O | C2 | C1 | H1A | 120.0° | 120.0° |
| O | C2 | C1 | H1B | 120.0° | 120.0° |
| O | C2 | C3 | H3 | 179.9° | 180.0° |
| C6 | O | C2 | C1 | 180.0° | 180.0° |
| C6 | O | C2 | C3 | 0.1° | 0.1° |
| O | C6 | C4 | C3 | 0.2° | 0.0° |
| O | C6 | C4 | C5 | 179.9° | 180.0° |
| O | C6 | C4 | C7 | 179.9° | 180.0° |
| O | C6 | C7 | H7 | 0.0° | 0.0° |
| O | C6 | C7 | H7A | 120.0° | 120.0° |
| O | C6 | C7 | H7B | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 180.0° | 179.9° |
| C2 | C3 | C4 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1A | 59.8° | 60.1° |
| C3 | C2 | C1 | H1B | 60.2° | 59.9° |
| C3 | C4 | C5 | C6 | 179.9° | 179.9° |
| C3 | C4 | C6 | C7 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 1.5° | 140.0° |
| C3 | C4 | C5 | H5A | 118.5° | 20.0° |
| C5 | C4 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | N | HN | 180.0° | 56.1° |
| C4 | C5 | N | HNA | 60.0° | 180.0° |
| C5 | C4 | C3 | H3 | 0.0° | 0.0° |
| C4 | C5 | H5 | H5A | 119.7° | 120.0° |
| C6 | C4 | C3 | H3 | 179.9° | 180.0° |
| C6 | C4 | C5 | H5 | 178.6° | 40.0° |
| C6 | C4 | C5 | H5A | 61.4° | 159.9° |
| C4 | C6 | C7 | H7 | 179.9° | 179.9° |
| C4 | C6 | C7 | H7A | 59.9° | 60.0° |
| C4 | C6 | C7 | H7B | 60.1° | 60.1° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.1° |
| HN | N | C5 | H5 | 60.1° | 176.1° |
| HN | N | C5 | H5A | 59.9° | 64.0° |
| HNA | N | C5 | H5 | 60.0° | 60.1° |
| HNA | N | C5 | H5A | 180.0° | 59.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
