SZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C7 | sing | 1.50Å | 1.53Å | |
| C2 | C3 | sing | 1.46Å | 1.53Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.50Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 109.5° | 109.6° |
| N | C1 | C7 | 108.5° | 109.6° |
| C1 | N | HN | 109.5° | 111.0° |
| C1 | N | HNA | 109.5° | 111.0° |
| N | C1 | H1 | 111.5° | 109.6° |
| C2 | C1 | C7 | 113.4° | 108.5° |
| C1 | C2 | C3 | 112.5° | 112.4° |
| C2 | C1 | H1 | 106.5° | 109.7° |
| C1 | C2 | H2 | 108.5° | 109.0° |
| C1 | C2 | H2A | 108.5° | 108.9° |
| C1 | C7 | C6 | 115.4° | 112.5° |
| C7 | C1 | H1 | 107.5° | 109.8° |
| C1 | C7 | H7 | 107.5° | 108.9° |
| C1 | C7 | H7A | 107.5° | 108.9° |
| C2 | C3 | C4 | 112.6° | 112.4° |
| C3 | C2 | H2 | 108.5° | 108.9° |
| C3 | C2 | H2A | 108.5° | 108.8° |
| C2 | C3 | H3 | 108.4° | 108.9° |
| C2 | C3 | H3A | 108.4° | 108.9° |
| C3 | C4 | C5 | 111.3° | 108.5° |
| C4 | C3 | H3 | 108.4° | 108.9° |
| C4 | C3 | H3A | 108.4° | 108.9° |
| C3 | C4 | H4 | 108.9° | 109.6° |
| C3 | C4 | H4A | 108.9° | 109.6° |
| C4 | C5 | C6 | 112.4° | 112.5° |
| C5 | C4 | H4 | 108.8° | 109.7° |
| C5 | C4 | H4A | 108.9° | 109.6° |
| C4 | C5 | H5 | 108.5° | 108.8° |
| C4 | C5 | H5A | 108.5° | 108.9° |
| C5 | C6 | C7 | 112.9° | 112.8° |
| C6 | C5 | H5 | 108.5° | 108.9° |
| C6 | C5 | H5A | 108.5° | 108.9° |
| C5 | C6 | H6 | 108.3° | 108.8° |
| C5 | C6 | H6A | 108.3° | 108.8° |
| C7 | C6 | H6 | 108.3° | 108.9° |
| C7 | C6 | H6A | 108.3° | 108.8° |
| C6 | C7 | H7 | 107.6° | 108.8° |
| C6 | C7 | H7A | 107.6° | 108.9° |
| HN | N | HNA | 109.5° | 111.0° |
| H2 | C2 | H2A | 110.4° | 108.8° |
| H3 | C3 | H3A | 110.5° | 108.8° |
| H4 | C4 | H4A | 110.1° | 109.8° |
| H5 | C5 | H5A | 110.5° | 108.8° |
| H6 | C6 | H6A | 110.6° | 108.7° |
| H7 | C7 | H7A | 111.3° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | C7 | 121.3° | 119.7° |
| N | C1 | C2 | H1 | 120.7° | 120.4° |
| N | C1 | C7 | H1 | 120.8° | 120.5° |
| N | C1 | C2 | C3 | 148.8° | 160.3° |
| N | C1 | C7 | C6 | 157.6° | 146.1° |
| C1 | N | HN | HNA | 120.0° | 124.0° |
| N | C1 | C2 | H2 | 91.2° | 79.0° |
| N | C1 | C2 | H2A | 28.8° | 39.6° |
| N | C1 | C7 | H7 | 82.4° | 25.4° |
| N | C1 | C7 | H7A | 37.6° | 93.1° |
| C2 | C1 | C7 | H1 | 117.4° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 120.8° |
| C1 | C2 | C3 | H2A | 120.0° | 120.7° |
| C1 | C2 | C3 | C4 | 78.7° | 61.9° |
| C2 | C1 | C7 | C6 | 35.7° | 94.2° |
| C2 | C1 | N | HN | 180.0° | 180.0° |
| C2 | C1 | N | HNA | 60.0° | 56.0° |
| C1 | C2 | H2 | H2A | 118.8° | 118.6° |
| C1 | C2 | C3 | H3 | 161.3° | 177.3° |
| C1 | C2 | C3 | H3A | 41.3° | 58.8° |
| C2 | C1 | C7 | H7 | 155.7° | 145.0° |
| C2 | C1 | C7 | H7A | 84.3° | 26.6° |
| C7 | C1 | C2 | C3 | 90.0° | 80.0° |
| C1 | C7 | C6 | C5 | 42.1° | 41.7° |
| C1 | C7 | C6 | H7 | 120.0° | 120.8° |
| C1 | C7 | C6 | H7A | 120.0° | 120.8° |
| C7 | C1 | N | HN | 55.8° | 60.9° |
| C7 | C1 | N | HNA | 175.8° | 175.1° |
| C7 | C1 | C2 | H2 | 30.1° | 40.7° |
| C7 | C1 | C2 | H2A | 150.0° | 159.3° |
| C1 | C7 | C6 | H6 | 77.9° | 162.6° |
| C1 | C7 | C6 | H6A | 162.1° | 79.1° |
| C1 | C7 | H7 | H7A | 117.5° | 118.5° |
| C2 | C3 | C4 | H3 | 120.0° | 120.8° |
| C2 | C3 | C4 | H3A | 120.0° | 120.8° |
| C2 | C3 | C4 | C5 | 58.8° | 80.0° |
| C3 | C2 | C1 | H1 | 28.0° | 39.9° |
| C3 | C2 | H2 | H2A | 118.7° | 118.5° |
| C2 | C3 | H3 | H3A | 118.7° | 118.5° |
| C2 | C3 | C4 | H4 | 61.2° | 39.8° |
| C2 | C3 | C4 | H4A | 178.8° | 160.3° |
| C3 | C4 | C5 | H4 | 120.0° | 119.7° |
| C3 | C4 | C5 | H4A | 120.0° | 119.7° |
| C3 | C4 | C5 | C6 | 77.3° | 94.2° |
| C4 | C3 | C2 | H2 | 41.3° | 58.8° |
| C4 | C3 | C2 | H2A | 161.3° | 177.3° |
| C4 | C3 | H3 | H3A | 118.7° | 118.6° |
| C3 | C4 | H4 | H4A | 119.2° | 120.5° |
| C3 | C4 | C5 | H5 | 162.7° | 145.1° |
| C3 | C4 | C5 | H5A | 42.7° | 26.6° |
| C4 | C5 | C6 | H5 | 120.0° | 120.7° |
| C4 | C5 | C6 | H5A | 120.0° | 120.8° |
| C4 | C5 | C6 | C7 | 93.2° | 41.7° |
| C5 | C4 | C3 | H3 | 178.8° | 159.2° |
| C5 | C4 | C3 | H3A | 61.2° | 40.8° |
| C5 | C4 | H4 | H4A | 119.3° | 120.5° |
| C4 | C5 | H5 | H5A | 118.8° | 118.5° |
| C4 | C5 | C6 | H6 | 26.8° | 79.2° |
| C4 | C5 | C6 | H6A | 146.8° | 162.6° |
| C5 | C6 | C7 | H6 | 120.0° | 120.9° |
| C5 | C6 | C7 | H6A | 120.0° | 120.8° |
| C6 | C5 | C4 | H4 | 42.7° | 25.6° |
| C6 | C5 | C4 | H4A | 162.7° | 146.1° |
| C6 | C5 | H5 | H5A | 118.8° | 118.5° |
| C5 | C6 | H6 | H6A | 118.6° | 118.3° |
| C5 | C6 | C7 | H7 | 77.9° | 162.5° |
| C5 | C6 | C7 | H7A | 162.1° | 79.1° |
| C6 | C7 | C1 | H1 | 81.7° | 25.7° |
| C7 | C6 | C5 | H5 | 146.8° | 162.5° |
| C7 | C6 | C5 | H5A | 26.8° | 79.1° |
| C7 | C6 | H6 | H6A | 118.6° | 118.4° |
| C6 | C7 | H7 | H7A | 117.6° | 118.5° |
| HN | N | C1 | H1 | 62.4° | 59.6° |
| HNA | N | C1 | H1 | 57.6° | 64.4° |
| H1 | C1 | C2 | H2 | 148.0° | 160.7° |
| H1 | C1 | C2 | H2A | 92.0° | 80.8° |
| H1 | C1 | C7 | H7 | 38.3° | 95.1° |
| H1 | C1 | C7 | H7A | 158.3° | 146.4° |
| H2 | C2 | C3 | H3 | 78.7° | 62.0° |
| H2 | C2 | C3 | H3A | 161.3° | 179.6° |
| H2A | C2 | C3 | H3 | 41.3° | 56.5° |
| H2A | C2 | C3 | H3A | 78.7° | 61.9° |
| H3 | C3 | C4 | H4 | 58.8° | 81.0° |
| H3 | C3 | C4 | H4A | 61.2° | 39.5° |
| H3A | C3 | C4 | H4 | 178.8° | 160.5° |
| H3A | C3 | C4 | H4A | 58.8° | 79.0° |
| H4 | C4 | C5 | H5 | 77.3° | 95.2° |
| H4 | C4 | C5 | H5A | 162.7° | 146.3° |
| H4A | C4 | C5 | H5 | 42.7° | 25.4° |
| H4A | C4 | C5 | H5A | 77.3° | 93.1° |
| H5 | C5 | C6 | H6 | 93.2° | 41.6° |
| H5 | C5 | C6 | H6A | 26.8° | 76.7° |
| H5A | C5 | C6 | H6 | 146.8° | 160.0° |
| H5A | C5 | C6 | H6A | 93.2° | 41.8° |
| H6 | C6 | C7 | H7 | 162.1° | 76.6° |
| H6 | C6 | C7 | H7A | 42.1° | 41.8° |
| H6A | C6 | C7 | H7 | 42.1° | 41.7° |
| H6A | C6 | C7 | H7A | 77.9° | 160.1° |
