S8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.55Å | 1.52Å | |
| C6 | O | sing | 1.44Å | 1.43Å | |
| C5 | C4 | sing | 1.55Å | 1.54Å | |
| O | C7 | sing | 1.44Å | 1.40Å | |
| C4 | C7 | sing | 1.54Å | 1.55Å | |
| C4 | C | sing | 1.53Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.48Å | |
| C3 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | O | 109.5° | 103.5° |
| C6 | C5 | C4 | 104.8° | 102.1° |
| C6 | C5 | H2 | 110.6° | 110.9° |
| C5 | C6 | H3 | 109.5° | 110.6° |
| C6 | C5 | H15 | 110.6° | 110.9° |
| C5 | C6 | H16 | 109.5° | 110.6° |
| C6 | O | C7 | 111.6° | 107.0° |
| O | C6 | H3 | 109.5° | 110.6° |
| O | C6 | H16 | 109.4° | 110.6° |
| C5 | C4 | C7 | 105.3° | 104.2° |
| C5 | C4 | C | 111.7° | 110.5° |
| C5 | C4 | H1 | 109.7° | 110.6° |
| C4 | C5 | H2 | 110.6° | 110.9° |
| C4 | C5 | H15 | 110.6° | 110.9° |
| O | C7 | C4 | 108.6° | 107.3° |
| O | C7 | H4 | 109.7° | 109.9° |
| O | C7 | H5 | 109.7° | 110.0° |
| C7 | C4 | C | 110.6° | 110.4° |
| C7 | C4 | H1 | 109.6° | 110.5° |
| C4 | C7 | H4 | 109.7° | 109.8° |
| C4 | C7 | H5 | 109.7° | 109.8° |
| C4 | C | N | 108.1° | 109.5° |
| C | C4 | H1 | 109.9° | 110.5° |
| C4 | C | H8 | 109.8° | 109.5° |
| C4 | C | H9 | 109.8° | 109.5° |
| C | N | C1 | 112.6° | 111.0° |
| C | N | H6 | 108.7° | 111.0° |
| N | C | H8 | 109.8° | 109.4° |
| N | C | H9 | 109.8° | 109.4° |
| C1 | C3 | C2 | 60.4° | 60.0° |
| C3 | C1 | N | 114.9° | 117.5° |
| C3 | C1 | C2 | 59.7° | 60.0° |
| C3 | C1 | H10 | 116.9° | 117.5° |
| C1 | C3 | H13 | 119.9° | 117.5° |
| C1 | C3 | H14 | 119.9° | 117.5° |
| C3 | C2 | C1 | 59.9° | 60.0° |
| C3 | C2 | H11 | 120.0° | 117.5° |
| C3 | C2 | H12 | 120.0° | 117.5° |
| C2 | C3 | H13 | 119.9° | 117.5° |
| C2 | C3 | H14 | 119.9° | 117.5° |
| N | C1 | C2 | 117.1° | 117.5° |
| C1 | N | H6 | 108.7° | 111.0° |
| N | C1 | H10 | 118.3° | 115.6° |
| C2 | C1 | H10 | 116.7° | 117.5° |
| C1 | C2 | H11 | 120.0° | 117.5° |
| C1 | C2 | H12 | 120.0° | 117.5° |
| H2 | C5 | H15 | 109.5° | 110.9° |
| H3 | C6 | H16 | 109.5° | 110.7° |
| H4 | C7 | H5 | 109.5° | 109.9° |
| H8 | C | H9 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 115.5° |
| H13 | C3 | H14 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | O | H3 | 120.0° | 118.5° |
| C5 | C6 | O | H16 | 120.0° | 118.5° |
| C6 | C5 | C4 | H2 | 119.3° | 118.2° |
| C6 | C5 | C4 | H15 | 119.3° | 118.2° |
| C5 | C6 | O | C7 | 3.1° | 40.1° |
| C6 | C5 | C4 | C7 | 0.3° | 20.9° |
| C6 | C5 | C4 | C | 120.5° | 139.5° |
| C6 | C5 | C4 | H1 | 117.5° | 97.8° |
| C6 | C5 | H2 | H15 | 122.2° | 123.7° |
| C5 | C6 | H3 | H16 | 120.0° | 123.0° |
| O | C6 | C5 | C4 | 2.0° | 37.1° |
| C6 | O | C7 | C4 | 2.8° | 26.5° |
| O | C6 | C5 | H2 | 121.3° | 81.1° |
| O | C6 | H3 | H16 | 119.9° | 123.0° |
| C6 | O | C7 | H4 | 122.7° | 92.9° |
| C6 | O | C7 | H5 | 117.0° | 146.0° |
| O | C6 | C5 | H15 | 117.3° | 155.2° |
| C5 | C4 | C7 | O | 1.5° | 2.0° |
| C5 | C4 | C7 | C | 120.8° | 118.6° |
| C5 | C4 | C7 | H1 | 117.9° | 118.8° |
| C5 | C4 | C | H1 | 121.9° | 122.7° |
| C5 | C4 | C | N | 168.7° | 178.8° |
| C4 | C5 | H2 | H15 | 122.2° | 123.6° |
| C4 | C5 | C6 | H3 | 122.0° | 155.5° |
| C5 | C4 | C7 | H4 | 121.3° | 117.4° |
| C5 | C4 | C7 | H5 | 118.4° | 121.6° |
| C5 | C4 | C | H8 | 48.9° | 58.9° |
| C5 | C4 | C | H9 | 71.5° | 61.2° |
| C4 | C5 | C6 | H16 | 118.0° | 81.5° |
| O | C7 | C4 | H4 | 119.9° | 119.4° |
| O | C7 | C4 | H5 | 119.9° | 119.6° |
| O | C7 | C4 | C | 119.3° | 116.6° |
| O | C7 | C4 | H1 | 119.3° | 120.8° |
| C7 | O | C6 | H3 | 123.1° | 158.5° |
| O | C7 | H4 | H5 | 120.4° | 121.2° |
| C7 | O | C6 | H16 | 116.9° | 78.5° |
| C7 | C4 | C | H1 | 121.1° | 122.6° |
| C7 | C4 | C | N | 74.4° | 66.5° |
| C7 | C4 | C5 | H2 | 119.6° | 97.3° |
| C4 | C7 | H4 | H5 | 120.4° | 121.0° |
| C7 | C4 | C | H8 | 165.9° | 173.6° |
| C7 | C4 | C | H9 | 45.4° | 53.5° |
| C7 | C4 | C5 | H15 | 118.9° | 139.1° |
| C4 | C | N | H8 | 119.8° | 119.9° |
| C4 | C | N | H9 | 119.8° | 120.1° |
| C4 | C | N | C1 | 169.7° | 180.0° |
| C | C4 | C5 | H2 | 120.3° | 21.3° |
| C | C4 | C7 | H4 | 0.6° | 124.0° |
| C | C4 | C7 | H5 | 120.8° | 3.0° |
| C4 | C | N | H6 | 49.3° | 56.0° |
| C4 | C | H8 | H9 | 120.7° | 120.1° |
| C | C4 | C5 | H15 | 1.2° | 102.3° |
| C | N | C1 | C3 | 69.5° | 136.4° |
| C | N | C1 | H6 | 120.5° | 124.0° |
| C | N | C1 | C2 | 136.8° | 155.0° |
| N | C | C4 | H1 | 46.8° | 56.1° |
| N | C | H8 | H9 | 120.6° | 119.9° |
| C | N | C1 | H10 | 75.2° | 9.4° |
| C1 | C3 | C2 | H13 | 109.6° | 107.4° |
| C1 | C3 | C2 | H14 | 109.6° | 107.4° |
| C3 | C1 | N | C2 | 67.2° | 68.6° |
| C3 | C1 | N | H10 | 144.7° | 145.8° |
| C3 | C1 | C2 | H10 | 107.0° | 107.5° |
| C3 | C1 | N | H6 | 50.9° | 12.4° |
| C1 | C3 | C2 | H11 | 109.4° | 107.5° |
| C1 | C3 | C2 | H12 | 109.4° | 107.5° |
| C1 | C3 | H13 | H14 | 144.5° | 145.6° |
| C3 | C2 | H11 | H12 | 144.8° | 145.7° |
| C2 | C3 | H13 | H14 | 144.5° | 145.8° |
| N | C1 | C2 | H10 | 148.5° | 145.0° |
| C1 | N | C | H8 | 70.5° | 60.0° |
| C1 | N | C | H9 | 49.9° | 60.0° |
| N | C1 | C2 | H11 | 146.1° | 0.0° |
| N | C1 | C2 | H12 | 5.0° | 145.0° |
| N | C1 | C3 | H13 | 142.4° | 145.0° |
| N | C1 | C3 | H14 | 1.5° | 0.0° |
| C2 | C1 | N | H6 | 16.3° | 81.0° |
| C1 | C2 | H11 | H12 | 144.8° | 145.7° |
| H1 | C4 | C5 | H2 | 1.8° | 144.0° |
| H1 | C4 | C7 | H4 | 120.8° | 1.4° |
| H1 | C4 | C7 | H5 | 0.6° | 119.6° |
| H1 | C4 | C | H8 | 73.0° | 63.8° |
| H1 | C4 | C | H9 | 166.6° | 176.1° |
| H1 | C4 | C5 | H15 | 123.3° | 20.4° |
| H2 | C5 | C6 | H3 | 118.7° | 37.3° |
| H2 | C5 | C6 | H16 | 1.3° | 160.4° |
| H3 | C6 | C5 | H15 | 2.8° | 86.3° |
| H6 | N | C | H8 | 169.0° | 176.0° |
| H6 | N | C | H9 | 70.6° | 64.0° |
| H6 | N | C1 | H10 | 164.3° | 133.3° |
| H10 | C1 | C2 | H11 | 2.5° | 145.0° |
| H10 | C1 | C2 | H12 | 143.6° | 0.0° |
| H10 | C1 | C3 | H13 | 2.9° | 0.0° |
| H10 | C1 | C3 | H14 | 143.7° | 145.0° |
| H11 | C2 | C3 | H13 | 0.1° | 145.1° |
| H11 | C2 | C3 | H14 | 141.0° | 0.1° |
| H12 | C2 | C3 | H13 | 141.0° | 0.1° |
| H12 | C2 | C3 | H14 | 0.1° | 145.1° |
| H15 | C5 | C6 | H16 | 122.8° | 36.7° |
