S7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.46Å | |
| N02 | C15 | sing | 1.47Å | 1.44Å | |
| N02 | C03 | sing | 1.35Å | 1.45Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| O14 | C03 | doub | 1.22Å | 1.19Å | |
| O13 | C12 | doub | 1.22Å | 1.19Å | |
| O18 | C16 | doub | 1.21Å | 1.26Å | |
| C03 | C04 | sing | 1.48Å | 1.53Å | |
| C16 | O17 | sing | 1.34Å | 1.26Å | |
| C10 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.33Å | 1.34Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.37Å | 1.36Å | |
| C12 | N09 | sing | 1.35Å | 1.41Å | |
| N11 | C07 | doub | 1.34Å | 1.28Å | Aromatic |
| N09 | N08 | sing | 1.40Å | 1.51Å | |
| C05 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N08 | sing | 1.38Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N08 | H1 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| O17 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C15 | 117.5° | 120.0° |
| C01 | N02 | C03 | 122.3° | 120.0° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C15 | N02 | C03 | 120.3° | 120.0° |
| N02 | C15 | C16 | 104.6° | 109.5° |
| N02 | C15 | H151 | 110.7° | 109.4° |
| N02 | C15 | H152 | 110.7° | 109.5° |
| N02 | C03 | O14 | 120.4° | 120.0° |
| N02 | C03 | C04 | 121.1° | 120.0° |
| C15 | C16 | O18 | 120.3° | 120.0° |
| C15 | C16 | O17 | 119.2° | 120.0° |
| C16 | C15 | H151 | 110.7° | 109.4° |
| C16 | C15 | H152 | 110.7° | 109.5° |
| O14 | C03 | C04 | 118.6° | 120.0° |
| O13 | C12 | N11 | 122.2° | 125.6° |
| O13 | C12 | N09 | 121.2° | 125.6° |
| O18 | C16 | O17 | 120.4° | 120.0° |
| C03 | C04 | C10 | 120.0° | 120.4° |
| C03 | C04 | C05 | 120.7° | 120.4° |
| C16 | O17 | H2 | 109.5° | 116.9° |
| C04 | C10 | N11 | 121.4° | 120.8° |
| C10 | C04 | C05 | 119.3° | 119.2° |
| C04 | C10 | H101 | 119.3° | 119.6° |
| C10 | N11 | C12 | 134.8° | 130.2° |
| C10 | N11 | C07 | 120.8° | 120.9° |
| N11 | C10 | H101 | 119.3° | 119.6° |
| C04 | C05 | C06 | 117.8° | 118.5° |
| C04 | C05 | H051 | 121.1° | 120.8° |
| N11 | C12 | N09 | 116.7° | 108.8° |
| C12 | N11 | C07 | 104.4° | 108.9° |
| C12 | N09 | N08 | 104.6° | 107.2° |
| C12 | N09 | H091 | 127.7° | 126.4° |
| N11 | C07 | C06 | 121.4° | 120.9° |
| N11 | C07 | N08 | 116.6° | 108.2° |
| N09 | N08 | C07 | 97.7° | 106.9° |
| N09 | N08 | H1 | 131.1° | 126.5° |
| N08 | N09 | H091 | 127.7° | 126.4° |
| C05 | C06 | C07 | 119.3° | 119.7° |
| C06 | C05 | H051 | 121.1° | 120.7° |
| C05 | C06 | H061 | 120.4° | 120.2° |
| C06 | C07 | N08 | 122.0° | 130.9° |
| C07 | C06 | H061 | 120.3° | 120.1° |
| C07 | N08 | H1 | 131.2° | 126.6° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C15 | C03 | 178.3° | 179.9° |
| C01 | N02 | C15 | C16 | 69.7° | 89.9° |
| C01 | N02 | C03 | O14 | 1.5° | 174.2° |
| C01 | N02 | C03 | C04 | 179.4° | 5.9° |
| C01 | N02 | C15 | H151 | 171.1° | 30.0° |
| C01 | N02 | C15 | H152 | 49.5° | 150.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C15 | C16 | H151 | 119.2° | 119.9° |
| N02 | C15 | C16 | H152 | 119.2° | 120.1° |
| C15 | N02 | C03 | O14 | 179.8° | 5.8° |
| N02 | C15 | C16 | O18 | 141.3° | 0.2° |
| C15 | N02 | C03 | C04 | 1.1° | 174.1° |
| N02 | C15 | C16 | O17 | 37.4° | 180.0° |
| N02 | C15 | H151 | H152 | 122.3° | 120.0° |
| C15 | N02 | C01 | H013 | 180.0° | 85.2° |
| C15 | N02 | C01 | H012 | 60.0° | 154.7° |
| C15 | N02 | C01 | H011 | 60.0° | 34.7° |
| C03 | N02 | C15 | C16 | 108.6° | 90.0° |
| N02 | C03 | O14 | C04 | 179.1° | 179.9° |
| N02 | C03 | C04 | C10 | 80.1° | 145.2° |
| N02 | C03 | C04 | C05 | 100.2° | 34.8° |
| C03 | N02 | C15 | H151 | 10.6° | 150.1° |
| C03 | N02 | C15 | H152 | 132.2° | 30.1° |
| C03 | N02 | C01 | H013 | 1.7° | 94.8° |
| C03 | N02 | C01 | H012 | 118.3° | 25.2° |
| C03 | N02 | C01 | H011 | 121.7° | 145.2° |
| C15 | C16 | O18 | O17 | 178.6° | 179.8° |
| C16 | C15 | H151 | H152 | 122.3° | 120.0° |
| C15 | C16 | O17 | H2 | 178.6° | 180.0° |
| O14 | C03 | C04 | C10 | 99.0° | 34.9° |
| O14 | C03 | C04 | C05 | 80.7° | 145.1° |
| O13 | C12 | N11 | C10 | 0.1° | 0.3° |
| O13 | C12 | N11 | N09 | 179.8° | 179.7° |
| O13 | C12 | N11 | C07 | 180.0° | 179.7° |
| O13 | C12 | N09 | N08 | 179.9° | 179.7° |
| O13 | C12 | N09 | H091 | 0.1° | 0.3° |
| O18 | C16 | C15 | H151 | 99.5° | 119.7° |
| O18 | C16 | C15 | H152 | 22.1° | 120.3° |
| O18 | C16 | O17 | H2 | 0.0° | 0.2° |
| C03 | C04 | C10 | C05 | 179.6° | 180.0° |
| C03 | C04 | C10 | N11 | 179.4° | 180.0° |
| C03 | C04 | C05 | C06 | 179.5° | 180.0° |
| C03 | C04 | C10 | H101 | 0.6° | 0.1° |
| C03 | C04 | C05 | H051 | 0.5° | 0.0° |
| O17 | C16 | C15 | H151 | 81.8° | 60.1° |
| O17 | C16 | C15 | H152 | 156.6° | 59.9° |
| C04 | C10 | N11 | H101 | 180.0° | 179.9° |
| C04 | C10 | N11 | C12 | 180.0° | 180.0° |
| C04 | C10 | N11 | C07 | 0.1° | 0.0° |
| C10 | C04 | C05 | C06 | 0.1° | 0.0° |
| C10 | C04 | C05 | H051 | 179.9° | 180.0° |
| N11 | C10 | C04 | C05 | 0.2° | 0.0° |
| C10 | N11 | C12 | C07 | 180.0° | 180.0° |
| C10 | N11 | C12 | N09 | 179.7° | 180.0° |
| C10 | N11 | C07 | C06 | 0.1° | 0.1° |
| C10 | N11 | C07 | N08 | 179.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C04 | C10 | H101 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 179.9° |
| N11 | C12 | N09 | N08 | 0.3° | 0.0° |
| C12 | N11 | C07 | C06 | 179.8° | 180.0° |
| C12 | N11 | C07 | N08 | 0.0° | 0.0° |
| C12 | N11 | C10 | H101 | 0.0° | 0.0° |
| N11 | C12 | N09 | H091 | 179.7° | 180.0° |
| N09 | C12 | N11 | C07 | 0.2° | 0.0° |
| C12 | N09 | N08 | H091 | 180.0° | 180.0° |
| C12 | N09 | N08 | C07 | 0.2° | 0.0° |
| C12 | N09 | N08 | H1 | 179.8° | 180.0° |
| N11 | C07 | N08 | N09 | 0.1° | 0.0° |
| N11 | C07 | C06 | C05 | 0.2° | 0.1° |
| N11 | C07 | C06 | N08 | 179.8° | 179.9° |
| C07 | N11 | C10 | H101 | 179.9° | 179.9° |
| N11 | C07 | C06 | H061 | 179.8° | 180.0° |
| N11 | C07 | N08 | H1 | 179.9° | 180.0° |
| N09 | N08 | C07 | C06 | 179.7° | 179.9° |
| N09 | N08 | C07 | H1 | 180.0° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | N08 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C06 | C07 | N08 | H1 | 0.3° | 0.1° |
| N08 | C07 | C06 | H061 | 0.0° | 0.1° |
| C07 | N08 | N09 | H091 | 179.8° | 180.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 0.1° | 0.1° |
| H1 | N08 | N09 | H091 | 0.2° | 0.0° |
