8S6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C10 | O11 | sing | 1.34Å | 1.26Å | |
| C9 | C2 | sing | 1.53Å | 1.53Å | |
| O7 | C6 | doub | 1.21Å | 1.26Å | |
| C2 | N3 | sing | 1.46Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O5 | C4 | doub | 1.21Å | 1.18Å | |
| N3 | C4 | sing | 1.35Å | 1.45Å | |
| C4 | C6 | sing | 1.49Å | 1.53Å | |
| C6 | O8 | sing | 1.35Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| O11 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | C9 | 119.7° | 120.0° |
| O12 | C10 | O11 | 120.2° | 120.0° |
| C9 | C10 | O11 | 120.1° | 120.0° |
| C10 | C9 | C2 | 112.6° | 109.5° |
| C10 | C9 | H5 | 108.7° | 109.5° |
| C10 | C9 | H6 | 108.7° | 109.4° |
| C10 | O11 | H9 | 109.5° | 117.0° |
| C9 | C2 | N3 | 108.5° | 109.5° |
| C9 | C2 | C1 | 109.9° | 109.5° |
| C9 | C2 | H4 | 109.2° | 109.5° |
| C2 | C9 | H5 | 108.7° | 109.5° |
| C2 | C9 | H6 | 108.7° | 109.5° |
| O7 | C6 | C4 | 120.0° | 120.0° |
| O7 | C6 | O8 | 119.9° | 120.0° |
| N3 | C2 | C1 | 109.7° | 109.5° |
| C2 | N3 | C4 | 119.7° | 120.0° |
| N3 | C2 | H4 | 110.3° | 109.5° |
| C2 | N3 | H7 | 120.1° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.2° | 109.5° |
| O5 | C4 | N3 | 119.9° | 120.0° |
| O5 | C4 | C6 | 120.0° | 120.0° |
| N3 | C4 | C6 | 120.1° | 120.0° |
| C4 | N3 | H7 | 120.2° | 120.0° |
| C4 | C6 | O8 | 120.1° | 120.0° |
| C6 | O8 | H8 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | C9 | O11 | 179.8° | 180.0° |
| O12 | C10 | C9 | C2 | 125.1° | 0.1° |
| O12 | C10 | C9 | H5 | 4.6° | 120.0° |
| O12 | C10 | C9 | H6 | 114.4° | 120.0° |
| O12 | C10 | O11 | H9 | 0.0° | 0.0° |
| C10 | C9 | C2 | H5 | 120.5° | 120.0° |
| C10 | C9 | C2 | H6 | 120.5° | 120.0° |
| C10 | C9 | C2 | N3 | 171.2° | 65.0° |
| C10 | C9 | C2 | C1 | 68.9° | 175.0° |
| C10 | C9 | C2 | H4 | 50.9° | 55.0° |
| C10 | C9 | H5 | H6 | 118.6° | 120.0° |
| C9 | C10 | O11 | H9 | 179.8° | 180.0° |
| O11 | C10 | C9 | C2 | 54.7° | 180.0° |
| O11 | C10 | C9 | H5 | 175.2° | 60.0° |
| O11 | C10 | C9 | H6 | 65.8° | 60.0° |
| C9 | C2 | N3 | C1 | 120.0° | 120.0° |
| C9 | C2 | N3 | H4 | 119.6° | 120.0° |
| C9 | C2 | C1 | H4 | 119.8° | 120.0° |
| C9 | C2 | N3 | C4 | 83.7° | 155.0° |
| C9 | C2 | C1 | H1 | 180.0° | 180.0° |
| C9 | C2 | C1 | H2 | 60.0° | 60.1° |
| C9 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C9 | H5 | H6 | 118.6° | 120.0° |
| C9 | C2 | N3 | H7 | 96.3° | 25.0° |
| O7 | C6 | C4 | O5 | 79.1° | 180.0° |
| O7 | C6 | C4 | N3 | 101.1° | 0.1° |
| O7 | C6 | C4 | O8 | 179.9° | 179.9° |
| O7 | C6 | O8 | H8 | 0.0° | 0.0° |
| N3 | C2 | C1 | H4 | 121.0° | 120.0° |
| C2 | N3 | C4 | O5 | 0.3° | 0.0° |
| C2 | N3 | C4 | H7 | 180.0° | 179.9° |
| C2 | N3 | C4 | C6 | 179.9° | 180.0° |
| N3 | C2 | C1 | H1 | 60.8° | 60.0° |
| N3 | C2 | C1 | H2 | 179.2° | 180.0° |
| N3 | C2 | C1 | H3 | 59.2° | 60.0° |
| N3 | C2 | C9 | H5 | 68.3° | 55.0° |
| N3 | C2 | C9 | H6 | 50.7° | 175.0° |
| C1 | C2 | N3 | C4 | 156.3° | 85.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C9 | H5 | 51.6° | 65.0° |
| C1 | C2 | C9 | H6 | 170.6° | 55.0° |
| C1 | C2 | N3 | H7 | 23.7° | 95.0° |
| O5 | C4 | N3 | C6 | 179.8° | 179.9° |
| O5 | C4 | C6 | O8 | 101.1° | 0.1° |
| O5 | C4 | N3 | H7 | 179.6° | 180.0° |
| N3 | C4 | C6 | O8 | 78.7° | 180.0° |
| C4 | N3 | C2 | H4 | 35.9° | 35.0° |
| C6 | C4 | N3 | H7 | 0.2° | 0.1° |
| C4 | C6 | O8 | H8 | 179.9° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.2° | 60.0° |
| H2 | C1 | C2 | H4 | 59.9° | 60.0° |
| H3 | C1 | C2 | H4 | 179.8° | 180.0° |
| H4 | C2 | C9 | H5 | 171.4° | 175.0° |
| H4 | C2 | C9 | H6 | 69.6° | 65.0° |
| H4 | C2 | N3 | H7 | 144.1° | 145.0° |
