S8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.54Å | 1.50Å | |
| C9 | O1 | sing | 1.44Å | 1.42Å | |
| C8 | C7 | sing | 1.55Å | 1.52Å | |
| O1 | C6 | sing | 1.44Å | 1.38Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C4 | sing | 1.35Å | 1.39Å | |
| C4 | O | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| N | C3 | doub | 1.31Å | 1.33Å | Aromatic |
| N | S | sing | 1.56Å | 1.70Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.45Å | Aromatic |
| S | C1 | sing | 1.72Å | 1.73Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.35Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | O1 | 106.8° | 104.9° |
| C9 | C8 | C7 | 102.0° | 104.0° |
| C9 | C8 | H7 | 111.3° | 110.5° |
| C9 | C8 | H8 | 111.3° | 110.7° |
| C8 | C9 | H13 | 110.1° | 110.4° |
| C8 | C9 | H14 | 110.2° | 110.4° |
| C9 | O1 | C6 | 111.0° | 105.2° |
| O1 | C9 | H13 | 110.1° | 110.4° |
| O1 | C9 | H14 | 110.1° | 110.3° |
| C8 | C7 | C6 | 102.3° | 104.1° |
| C8 | C7 | H5 | 111.3° | 110.5° |
| C8 | C7 | H6 | 111.2° | 110.6° |
| C7 | C8 | H7 | 111.3° | 110.5° |
| C7 | C8 | H8 | 111.3° | 110.5° |
| O1 | C6 | C7 | 106.7° | 104.9° |
| O1 | C6 | C5 | 104.9° | 110.4° |
| O1 | C6 | H4 | 112.1° | 110.3° |
| C7 | C6 | C5 | 113.4° | 110.4° |
| C7 | C6 | H4 | 109.9° | 110.4° |
| C6 | C7 | H5 | 111.2° | 110.5° |
| C6 | C7 | H6 | 111.2° | 110.5° |
| C6 | C5 | N1 | 110.7° | 109.4° |
| C6 | C5 | H2 | 109.2° | 109.4° |
| C6 | C5 | H3 | 109.1° | 109.5° |
| C5 | C6 | H4 | 109.8° | 110.3° |
| C5 | N1 | C4 | 119.3° | 120.0° |
| C5 | N1 | H1 | 120.3° | 120.1° |
| N1 | C5 | H2 | 109.1° | 109.4° |
| N1 | C5 | H3 | 109.2° | 109.5° |
| N1 | C4 | O | 122.6° | 120.0° |
| N1 | C4 | C3 | 118.2° | 120.0° |
| C4 | N1 | H1 | 120.4° | 120.0° |
| O | C4 | C3 | 119.1° | 120.0° |
| C4 | C3 | N | 124.9° | 122.1° |
| C4 | C3 | C2 | 119.3° | 122.1° |
| C3 | N | S | 109.2° | 109.8° |
| N | C3 | C2 | 115.8° | 115.8° |
| N | S | C1 | 93.9° | 97.2° |
| C3 | C2 | C1 | 110.7° | 111.7° |
| C3 | C2 | H12 | 124.7° | 124.2° |
| S | C1 | C2 | 110.4° | 105.5° |
| S | C1 | C | 124.3° | 127.2° |
| C2 | C1 | C | 125.2° | 127.3° |
| C1 | C2 | H12 | 124.6° | 124.2° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.4° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 110.5° |
| H7 | C8 | H8 | 109.5° | 110.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.4° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | O1 | H13 | 119.6° | 118.9° |
| C8 | C9 | O1 | H14 | 119.6° | 118.8° |
| C9 | C8 | C7 | H7 | 118.8° | 118.6° |
| C9 | C8 | C7 | H8 | 118.8° | 118.8° |
| C8 | C9 | O1 | C6 | 12.9° | 40.3° |
| C9 | C8 | C7 | C6 | 32.5° | 0.0° |
| C9 | C8 | C7 | H5 | 151.4° | 118.6° |
| C9 | C8 | C7 | H6 | 86.3° | 118.7° |
| C9 | C8 | H7 | H8 | 123.5° | 122.8° |
| C8 | C9 | H13 | H14 | 121.3° | 122.2° |
| O1 | C9 | C8 | C7 | 28.6° | 23.9° |
| C9 | O1 | C6 | C7 | 8.8° | 40.3° |
| C9 | O1 | C6 | C5 | 129.5° | 159.2° |
| C9 | O1 | C6 | H4 | 111.5° | 78.6° |
| O1 | C9 | C8 | H7 | 90.1° | 94.7° |
| O1 | C9 | C8 | H8 | 147.4° | 142.6° |
| O1 | C9 | H13 | H14 | 121.2° | 122.2° |
| C8 | C7 | C6 | O1 | 26.3° | 23.9° |
| C8 | C7 | C6 | H5 | 118.9° | 118.7° |
| C8 | C7 | C6 | H6 | 118.9° | 118.8° |
| C8 | C7 | C6 | C5 | 141.3° | 142.8° |
| C8 | C7 | C6 | H4 | 95.4° | 94.9° |
| C8 | C7 | H5 | H6 | 123.3° | 122.8° |
| C7 | C8 | H7 | H8 | 123.5° | 122.6° |
| C7 | C8 | C9 | H13 | 90.9° | 142.8° |
| C7 | C8 | C9 | H14 | 148.2° | 94.9° |
| O1 | C6 | C7 | C5 | 115.0° | 118.9° |
| O1 | C6 | C7 | H4 | 121.7° | 118.8° |
| O1 | C6 | C5 | H4 | 120.6° | 122.2° |
| O1 | C6 | C5 | N1 | 70.0° | 67.9° |
| O1 | C6 | C5 | H2 | 169.8° | 52.0° |
| O1 | C6 | C5 | H3 | 50.2° | 172.1° |
| O1 | C6 | C7 | H5 | 145.2° | 94.8° |
| O1 | C6 | C7 | H6 | 92.6° | 142.7° |
| C6 | O1 | C9 | H13 | 106.7° | 159.2° |
| C6 | O1 | C9 | H14 | 132.5° | 78.5° |
| C7 | C6 | C5 | H4 | 123.4° | 122.3° |
| C7 | C6 | C5 | N1 | 173.9° | 176.6° |
| C7 | C6 | C5 | H2 | 53.7° | 63.5° |
| C7 | C6 | C5 | H3 | 65.9° | 56.5° |
| C6 | C7 | H5 | H6 | 123.3° | 122.6° |
| C6 | C7 | C8 | H7 | 86.3° | 118.6° |
| C6 | C7 | C8 | H8 | 151.3° | 118.8° |
| C6 | C5 | N1 | H2 | 120.2° | 119.9° |
| C6 | C5 | N1 | H3 | 120.2° | 120.0° |
| C6 | C5 | N1 | C4 | 163.9° | 180.0° |
| C6 | C5 | N1 | H1 | 16.1° | 0.4° |
| C6 | C5 | H2 | H3 | 119.4° | 120.0° |
| C5 | C6 | C7 | H5 | 99.8° | 24.2° |
| C5 | C6 | C7 | H6 | 22.5° | 98.4° |
| C5 | N1 | C4 | H1 | 180.0° | 179.6° |
| C5 | N1 | C4 | O | 0.2° | 0.4° |
| C5 | N1 | C4 | C3 | 179.9° | 179.7° |
| N1 | C5 | H2 | H3 | 119.4° | 120.1° |
| N1 | C5 | C6 | H4 | 50.6° | 54.3° |
| N1 | C4 | O | C3 | 179.8° | 179.9° |
| N1 | C4 | C3 | N | 5.5° | 0.1° |
| N1 | C4 | C3 | C2 | 174.3° | 180.0° |
| C4 | N1 | C5 | H2 | 75.9° | 60.1° |
| C4 | N1 | C5 | H3 | 43.7° | 60.0° |
| O | C4 | C3 | N | 174.7° | 180.0° |
| O | C4 | C3 | C2 | 5.5° | 0.0° |
| O | C4 | N1 | H1 | 179.8° | 180.0° |
| C4 | C3 | N | C2 | 179.8° | 180.0° |
| C4 | C3 | N | S | 179.7° | 179.9° |
| C4 | C3 | C2 | C1 | 179.7° | 179.9° |
| C3 | C4 | N1 | H1 | 0.1° | 0.1° |
| C4 | C3 | C2 | H12 | 0.2° | 0.1° |
| C3 | N | S | C1 | 0.1° | 0.0° |
| N | C3 | C2 | C1 | 0.1° | 0.0° |
| N | C3 | C2 | H12 | 179.9° | 180.0° |
| S | N | C3 | C2 | 0.2° | 0.0° |
| N | S | C1 | C2 | 0.1° | 0.0° |
| N | S | C1 | C | 179.7° | 180.0° |
| C3 | C2 | C1 | S | 0.0° | 0.0° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 179.8° | 180.0° |
| S | C1 | C2 | C | 179.8° | 180.0° |
| S | C1 | C | H9 | 0.0° | 90.0° |
| S | C1 | C | H10 | 120.0° | 30.0° |
| S | C1 | C | H11 | 120.0° | 150.0° |
| S | C1 | C2 | H12 | 180.0° | 180.0° |
| C2 | C1 | C | H9 | 179.8° | 89.9° |
| C2 | C1 | C | H10 | 59.7° | 150.0° |
| C2 | C1 | C | H11 | 60.2° | 30.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | C2 | H12 | 0.3° | 0.0° |
| H1 | N1 | C5 | H2 | 104.1° | 120.3° |
| H1 | N1 | C5 | H3 | 136.3° | 119.6° |
| H2 | C5 | C6 | H4 | 69.6° | 174.2° |
| H3 | C5 | C6 | H4 | 170.8° | 65.7° |
| H4 | C6 | C7 | H5 | 23.5° | 146.4° |
| H4 | C6 | C7 | H6 | 145.7° | 23.9° |
| H5 | C7 | C8 | H7 | 32.6° | 0.0° |
| H5 | C7 | C8 | H8 | 89.9° | 122.6° |
| H6 | C7 | C8 | H7 | 154.9° | 122.7° |
| H6 | C7 | C8 | H8 | 32.4° | 0.1° |
| H7 | C8 | C9 | H13 | 150.3° | 24.2° |
| H7 | C8 | C9 | H14 | 29.4° | 146.5° |
| H8 | C8 | C9 | H13 | 27.9° | 98.5° |
| H8 | C8 | C9 | H14 | 93.0° | 23.8° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
