SZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.41Å | |
| C1 | C2 | sing | 1.54Å | 1.50Å | |
| C1 | C7 | sing | 1.54Å | 1.50Å | |
| O1 | C5 | sing | 1.34Å | 1.41Å | |
| O1 | C6 | sing | 1.45Å | 1.42Å | |
| C2 | N2 | sing | 1.49Å | 1.44Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.49Å | 1.43Å | |
| O2 | C5 | doub | 1.21Å | 1.16Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C4 | C7 | sing | 1.54Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| 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 | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | 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) |
| N1 | C1 | C2 | 118.8° | 110.3° |
| N1 | C1 | C7 | 117.9° | 110.3° |
| N1 | C1 | H1 | 94.5° | 110.3° |
| C1 | N1 | HN1 | 109.5° | 111.0° |
| C1 | N1 | HN1A | 109.4° | 111.0° |
| C2 | C1 | C7 | 110.5° | 105.1° |
| C1 | C2 | N2 | 104.8° | 104.6° |
| C2 | C1 | H1 | 105.3° | 110.3° |
| C1 | C2 | H2 | 111.1° | 110.4° |
| C1 | C2 | H2A | 111.1° | 110.4° |
| C1 | C7 | C4 | 101.2° | 105.1° |
| C7 | C1 | H1 | 106.7° | 110.4° |
| C1 | C7 | H7 | 112.3° | 110.3° |
| C1 | C7 | H7A | 112.3° | 110.3° |
| C5 | O1 | C6 | 115.7° | 117.0° |
| O1 | C5 | O2 | 120.3° | 120.0° |
| O1 | C5 | C4 | 117.7° | 120.0° |
| O1 | C6 | H6 | 109.5° | 109.5° |
| O1 | C6 | H6A | 109.4° | 109.5° |
| O1 | C6 | H6B | 109.5° | 109.4° |
| C2 | N2 | C3 | 126.4° | 111.0° |
| C2 | N2 | C4 | 108.5° | 104.2° |
| N2 | C2 | H2 | 111.0° | 110.3° |
| N2 | C2 | H2A | 111.1° | 110.4° |
| C3 | N2 | C4 | 125.0° | 111.0° |
| N2 | C3 | H3 | 109.5° | 109.5° |
| N2 | C3 | H3A | 109.5° | 109.5° |
| N2 | C3 | H3B | 109.4° | 109.5° |
| N2 | C4 | C5 | 127.1° | 110.4° |
| N2 | C4 | C7 | 112.0° | 104.6° |
| N2 | C4 | H4 | 92.9° | 110.4° |
| O2 | C5 | C4 | 122.0° | 120.0° |
| C5 | C4 | C7 | 115.6° | 110.4° |
| C5 | C4 | H4 | 85.3° | 110.4° |
| C7 | C4 | H4 | 117.1° | 110.5° |
| C4 | C7 | H7 | 112.3° | 110.3° |
| C4 | C7 | H7A | 112.3° | 110.3° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| H2 | C2 | H2A | 107.9° | 110.5° |
| H3 | C3 | H3A | 109.4° | 109.4° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H7 | C7 | H7A | 106.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C7 | 140.9° | 118.9° |
| N1 | C1 | C2 | H1 | 104.2° | 122.1° |
| N1 | C1 | C7 | H1 | 104.6° | 122.1° |
| N1 | C1 | C2 | N2 | 158.1° | 142.8° |
| N1 | C1 | C7 | C4 | 152.3° | 118.9° |
| C1 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C1 | C2 | H2 | 81.9° | 98.5° |
| N1 | C1 | C2 | H2A | 38.1° | 24.0° |
| N1 | C1 | C7 | H7 | 32.3° | 0.0° |
| N1 | C1 | C7 | H7A | 87.7° | 122.2° |
| C2 | C1 | C7 | H1 | 114.0° | 119.0° |
| C1 | C2 | N2 | H2 | 120.0° | 118.8° |
| C1 | C2 | N2 | H2A | 120.0° | 118.8° |
| C1 | C2 | N2 | C3 | 163.5° | 159.0° |
| C1 | C2 | N2 | C4 | 16.1° | 39.5° |
| C2 | C1 | C7 | C4 | 10.9° | 0.0° |
| C2 | C1 | N1 | HN1 | 180.0° | 61.4° |
| C2 | C1 | N1 | HN1A | 60.0° | 174.6° |
| C1 | C2 | H2 | H2A | 121.9° | 122.5° |
| C2 | C1 | C7 | H7 | 109.1° | 118.9° |
| C2 | C1 | C7 | H7A | 130.9° | 118.9° |
| C7 | C1 | C2 | N2 | 17.1° | 23.9° |
| C1 | C7 | C4 | N2 | 0.7° | 23.9° |
| C1 | C7 | C4 | C5 | 155.5° | 142.6° |
| C1 | C7 | C4 | H7 | 120.0° | 118.9° |
| C1 | C7 | C4 | H7A | 120.0° | 118.9° |
| C7 | C1 | N1 | HN1 | 41.9° | 177.1° |
| C7 | C1 | N1 | HN1A | 78.1° | 58.9° |
| C7 | C1 | C2 | H2 | 137.1° | 142.6° |
| C7 | C1 | C2 | H2A | 102.9° | 94.9° |
| C1 | C7 | C4 | H4 | 106.3° | 95.0° |
| C1 | C7 | H7 | H7A | 123.3° | 122.2° |
| O1 | C5 | C4 | N2 | 168.3° | 161.5° |
| O1 | C5 | O2 | C4 | 176.5° | 180.0° |
| O1 | C5 | C4 | C7 | 16.2° | 83.4° |
| O1 | C5 | C4 | H4 | 101.6° | 39.1° |
| C5 | O1 | C6 | H6 | 180.0° | 60.0° |
| C5 | O1 | C6 | H6A | 60.0° | 60.0° |
| C5 | O1 | C6 | H6B | 60.0° | 180.0° |
| C6 | O1 | C5 | O2 | 14.1° | 0.0° |
| C6 | O1 | C5 | C4 | 169.3° | 180.0° |
| O1 | C6 | H6 | H6A | 120.0° | 120.0° |
| O1 | C6 | H6 | H6B | 120.0° | 120.0° |
| O1 | C6 | H6A | H6B | 120.0° | 120.0° |
| C2 | N2 | C3 | C4 | 179.5° | 115.4° |
| C2 | N2 | C4 | C5 | 162.9° | 158.3° |
| C2 | N2 | C4 | C7 | 10.0° | 39.5° |
| N2 | C2 | C1 | H1 | 97.7° | 95.1° |
| N2 | C2 | H2 | H2A | 121.9° | 122.4° |
| C2 | N2 | C3 | H3 | 180.0° | 60.1° |
| C2 | N2 | C3 | H3A | 60.0° | 179.9° |
| C2 | N2 | C3 | H3B | 60.0° | 59.9° |
| C2 | N2 | C4 | H4 | 110.9° | 79.4° |
| C3 | N2 | C4 | C5 | 16.7° | 82.2° |
| C3 | N2 | C4 | C7 | 169.6° | 159.0° |
| C3 | N2 | C2 | H2 | 43.5° | 82.2° |
| C3 | N2 | C2 | H2A | 76.5° | 40.2° |
| N2 | C3 | H3 | H3A | 120.0° | 120.0° |
| N2 | C3 | H3 | H3B | 120.0° | 120.0° |
| N2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | N2 | C4 | H4 | 69.5° | 40.1° |
| N2 | C4 | C5 | O2 | 15.1° | 18.5° |
| N2 | C4 | C5 | C7 | 152.1° | 115.2° |
| N2 | C4 | C5 | H4 | 90.0° | 122.4° |
| N2 | C4 | C7 | H4 | 105.6° | 118.8° |
| C4 | N2 | C2 | H2 | 136.1° | 158.3° |
| C4 | N2 | C2 | H2A | 103.9° | 79.3° |
| C4 | N2 | C3 | H3 | 0.5° | 55.3° |
| C4 | N2 | C3 | H3A | 119.5° | 64.7° |
| C4 | N2 | C3 | H3B | 120.4° | 175.3° |
| N2 | C4 | C7 | H7 | 119.2° | 142.8° |
| N2 | C4 | C7 | H7A | 120.7° | 95.0° |
| O2 | C5 | C4 | C7 | 167.2° | 96.6° |
| O2 | C5 | C4 | H4 | 75.0° | 140.9° |
| C5 | C4 | C7 | H4 | 98.2° | 122.4° |
| C5 | C4 | C7 | H7 | 84.5° | 98.4° |
| C5 | C4 | C7 | H7A | 35.5° | 23.7° |
| C4 | C7 | C1 | H1 | 103.1° | 119.0° |
| C4 | C7 | H7 | H7A | 123.3° | 122.2° |
| H1 | C1 | N1 | HN1 | 69.7° | 60.7° |
| H1 | C1 | N1 | HN1A | 170.3° | 63.3° |
| H1 | C1 | C2 | H2 | 22.2° | 23.6° |
| H1 | C1 | C2 | H2A | 142.2° | 146.1° |
| H1 | C1 | C7 | H7 | 136.9° | 122.1° |
| H1 | C1 | C7 | H7A | 16.9° | 0.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H4 | C4 | C7 | H7 | 13.7° | 24.0° |
| H4 | C4 | C7 | H7A | 133.7° | 146.1° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
