S10
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C10 | doub | 1.22Å | 1.22Å | |
| C10 | O11 | sing | 1.35Å | 1.44Å | |
| C10 | N9 | sing | 1.35Å | 1.32Å | |
| O11 | C12 | sing | 1.45Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.46Å | 1.43Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C6 | N5 | sing | 1.46Å | 1.47Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| N5 | C4 | sing | 1.35Å | 1.36Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | O14 | doub | 1.22Å | 1.24Å | |
| C4 | O3 | sing | 1.35Å | 1.47Å | |
| O3 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C10 | O11 | 119.6° | 120.1° |
| O15 | C10 | N9 | 126.1° | 120.0° |
| O11 | C10 | N9 | 113.6° | 120.0° |
| C10 | O11 | C12 | 118.2° | 120.0° |
| C10 | N9 | C8 | 118.8° | 120.0° |
| C10 | N9 | H9 | 120.6° | 120.0° |
| O11 | C12 | C13 | 105.5° | 109.4° |
| O11 | C12 | H121 | 111.7° | 109.5° |
| O11 | C12 | H122 | 110.8° | 109.5° |
| C13 | C12 | H121 | 111.6° | 109.5° |
| C13 | C12 | H122 | 110.8° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| H121 | C12 | H122 | 106.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| C8 | N9 | H9 | 120.6° | 120.0° |
| N9 | C8 | C7 | 105.9° | 109.4° |
| N9 | C8 | H8C1 | 111.5° | 109.5° |
| N9 | C8 | H8C2 | 110.7° | 109.5° |
| C7 | C8 | H8C1 | 111.4° | 109.5° |
| C7 | C8 | H8C2 | 110.7° | 109.5° |
| C8 | C7 | C6 | 111.8° | 109.4° |
| C8 | C7 | H7C1 | 108.7° | 109.5° |
| C8 | C7 | H7C2 | 108.2° | 109.5° |
| H8C1 | C8 | H8C2 | 106.8° | 109.5° |
| C6 | C7 | H7C1 | 108.7° | 109.5° |
| C6 | C7 | H7C2 | 108.2° | 109.5° |
| C7 | C6 | N5 | 117.5° | 109.4° |
| C7 | C6 | H6C1 | 105.0° | 109.5° |
| C7 | C6 | H6C2 | 106.9° | 109.5° |
| H7C1 | C7 | H7C2 | 111.3° | 109.5° |
| N5 | C6 | H6C1 | 105.0° | 109.5° |
| N5 | C6 | H6C2 | 106.9° | 109.5° |
| C6 | N5 | C4 | 129.6° | 120.0° |
| C6 | N5 | H5 | 115.2° | 120.0° |
| H6C1 | C6 | H6C2 | 116.0° | 109.5° |
| C4 | N5 | H5 | 115.2° | 120.0° |
| N5 | C4 | O14 | 130.1° | 120.0° |
| N5 | C4 | O3 | 112.1° | 120.0° |
| O14 | C4 | O3 | 117.8° | 120.1° |
| C4 | O3 | C2 | 124.4° | 120.0° |
| O3 | C2 | C1 | 108.9° | 109.4° |
| O3 | C2 | H2C1 | 109.8° | 109.5° |
| O3 | C2 | H2C2 | 109.6° | 109.5° |
| C1 | C2 | H2C1 | 109.8° | 109.5° |
| C1 | C2 | H2C2 | 109.7° | 109.5° |
| C2 | C1 | H1C1 | 109.5° | 109.4° |
| C2 | C1 | H1C2 | 109.5° | 109.5° |
| C2 | C1 | H1C3 | 109.5° | 109.5° |
| H2C1 | C2 | H2C2 | 109.0° | 109.4° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.4° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C10 | O11 | N9 | 170.8° | 180.0° |
| O15 | C10 | O11 | C12 | 46.9° | 0.0° |
| O15 | C10 | N9 | C8 | 30.0° | 0.0° |
| O15 | C10 | N9 | H9 | 150.0° | 180.0° |
| C10 | O11 | C12 | C13 | 172.4° | 180.0° |
| C10 | O11 | C12 | H121 | 66.1° | 60.0° |
| C10 | O11 | C12 | H122 | 52.4° | 60.0° |
| O11 | C10 | N9 | C8 | 140.1° | 180.0° |
| O11 | C10 | N9 | H9 | 39.9° | 0.0° |
| N9 | C10 | O11 | C12 | 142.3° | 180.0° |
| C10 | N9 | C8 | H9 | 180.0° | 180.0° |
| C10 | N9 | C8 | C7 | 79.2° | 180.0° |
| C10 | N9 | C8 | H8C1 | 42.2° | 60.0° |
| C10 | N9 | C8 | H8C2 | 160.9° | 60.0° |
| O11 | C12 | C13 | H121 | 121.5° | 120.0° |
| O11 | C12 | C13 | H122 | 120.0° | 120.0° |
| O11 | C12 | H121 | H122 | 121.1° | 120.0° |
| O11 | C12 | C13 | H131 | 144.9° | 60.0° |
| O11 | C12 | C13 | H132 | 95.0° | 180.0° |
| O11 | C12 | C13 | H133 | 24.9° | 60.0° |
| C13 | C12 | H121 | H122 | 121.0° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| H121 | C12 | C13 | H131 | 23.4° | 180.0° |
| H121 | C12 | C13 | H132 | 143.5° | 60.0° |
| H121 | C12 | C13 | H133 | 96.6° | 60.0° |
| H122 | C12 | C13 | H131 | 95.1° | 60.0° |
| H122 | C12 | C13 | H132 | 25.0° | 60.0° |
| H122 | C12 | C13 | H133 | 144.9° | 180.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| N9 | C8 | C7 | H8C1 | 121.4° | 120.0° |
| N9 | C8 | C7 | H8C2 | 120.0° | 120.0° |
| N9 | C8 | H8C1 | H8C2 | 121.0° | 120.0° |
| N9 | C8 | C7 | C6 | 120.0° | 180.0° |
| N9 | C8 | C7 | H7C1 | 120.0° | 60.0° |
| N9 | C8 | C7 | H7C2 | 1.0° | 60.0° |
| H9 | N9 | C8 | C7 | 100.8° | 0.0° |
| H9 | N9 | C8 | H8C1 | 137.8° | 120.0° |
| H9 | N9 | C8 | H8C2 | 19.1° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 121.0° | 120.0° |
| C8 | C7 | C6 | H7C1 | 120.0° | 120.0° |
| C8 | C7 | C6 | H7C2 | 119.0° | 120.0° |
| C8 | C7 | H7C1 | H7C2 | 119.0° | 120.0° |
| C8 | C7 | C6 | N5 | 93.6° | 180.0° |
| C8 | C7 | C6 | H6C1 | 150.2° | 60.0° |
| C8 | C7 | C6 | H6C2 | 26.5° | 60.0° |
| H8C1 | C8 | C7 | C6 | 118.6° | 60.0° |
| H8C1 | C8 | C7 | H7C1 | 1.4° | 180.0° |
| H8C1 | C8 | C7 | H7C2 | 122.4° | 60.0° |
| H8C2 | C8 | C7 | C6 | 0.0° | 60.0° |
| H8C2 | C8 | C7 | H7C1 | 120.0° | 60.0° |
| H8C2 | C8 | C7 | H7C2 | 119.0° | 180.0° |
| C6 | C7 | H7C1 | H7C2 | 119.1° | 120.0° |
| C7 | C6 | N5 | H6C1 | 116.2° | 120.0° |
| C7 | C6 | N5 | H6C2 | 120.0° | 120.0° |
| C7 | C6 | H6C1 | H6C2 | 117.7° | 120.0° |
| C7 | C6 | N5 | C4 | 66.8° | 180.0° |
| C7 | C6 | N5 | H5 | 113.2° | 0.0° |
| H7C1 | C7 | C6 | N5 | 146.4° | 60.0° |
| H7C1 | C7 | C6 | H6C1 | 30.2° | 180.0° |
| H7C1 | C7 | C6 | H6C2 | 93.5° | 60.0° |
| H7C2 | C7 | C6 | N5 | 25.4° | 60.0° |
| H7C2 | C7 | C6 | H6C1 | 90.8° | 60.0° |
| H7C2 | C7 | C6 | H6C2 | 145.4° | 180.0° |
| N5 | C6 | H6C1 | H6C2 | 117.8° | 120.0° |
| C6 | N5 | C4 | H5 | 180.0° | 180.0° |
| C6 | N5 | C4 | O14 | 14.2° | 0.0° |
| C6 | N5 | C4 | O3 | 162.8° | 180.0° |
| H6C1 | C6 | N5 | C4 | 176.9° | 60.0° |
| H6C1 | C6 | N5 | H5 | 3.1° | 120.0° |
| H6C2 | C6 | N5 | C4 | 53.2° | 60.0° |
| H6C2 | C6 | N5 | H5 | 126.8° | 120.0° |
| N5 | C4 | O14 | O3 | 176.9° | 180.0° |
| N5 | C4 | O3 | C2 | 110.3° | 180.0° |
| H5 | N5 | C4 | O14 | 165.8° | 180.0° |
| H5 | N5 | C4 | O3 | 17.2° | 0.0° |
| O14 | C4 | O3 | C2 | 67.1° | 0.0° |
| C4 | O3 | C2 | C1 | 149.9° | 180.0° |
| C4 | O3 | C2 | H2C1 | 29.7° | 60.0° |
| C4 | O3 | C2 | H2C2 | 90.1° | 60.0° |
| O3 | C2 | C1 | H2C1 | 120.2° | 120.0° |
| O3 | C2 | C1 | H2C2 | 120.0° | 120.0° |
| O3 | C2 | H2C1 | H2C2 | 120.1° | 120.0° |
| O3 | C2 | C1 | H1C1 | 93.2° | 180.0° |
| O3 | C2 | C1 | H1C2 | 26.8° | 60.0° |
| O3 | C2 | C1 | H1C3 | 146.8° | 60.0° |
| C1 | C2 | H2C1 | H2C2 | 120.2° | 120.0° |
| C2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| C2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| C2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H2C1 | C2 | C1 | H1C1 | 146.5° | 60.0° |
| H2C1 | C2 | C1 | H1C2 | 93.4° | 180.0° |
| H2C1 | C2 | C1 | H1C3 | 26.6° | 60.0° |
| H2C2 | C2 | C1 | H1C1 | 26.7° | 60.0° |
| H2C2 | C2 | C1 | H1C2 | 146.8° | 60.0° |
| H2C2 | C2 | C1 | H1C3 | 93.2° | 180.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
