S5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.52Å | 1.53Å | |
| C07 | C08 | sing | 1.52Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C20 | sing | 1.53Å | 1.54Å | |
| C08 | C03 | sing | 1.52Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.51Å | 1.54Å | |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| C09 | N10 | sing | 1.47Å | 1.42Å | |
| C20 | N10 | sing | 1.46Å | 1.47Å | |
| N10 | C11 | sing | 1.39Å | 1.45Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O21 | sing | 1.34Å | 1.26Å | |
| C11 | N19 | doub | 1.33Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.32Å | Aromatic |
| C18 | N17 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.35Å | Aromatic |
| C12 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.31Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.34Å | Aromatic |
| C16 | N15 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| O21 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 113.5° | 112.4° |
| C07 | C06 | C05 | 111.7° | 112.9° |
| C07 | C06 | H062 | 108.9° | 108.8° |
| C07 | C06 | H061 | 108.9° | 108.7° |
| C06 | C07 | H072 | 108.5° | 108.9° |
| C06 | C07 | H071 | 108.4° | 108.9° |
| C07 | C08 | C03 | 114.1° | 113.6° |
| C07 | C08 | C09 | 104.9° | 109.2° |
| C08 | C07 | H072 | 108.4° | 108.9° |
| C08 | C07 | H071 | 108.5° | 108.9° |
| C07 | C08 | H081 | 108.2° | 108.0° |
| C06 | C05 | C04 | 111.0° | 111.7° |
| C06 | C05 | C20 | 108.5° | 114.7° |
| C06 | C05 | H051 | 108.9° | 106.8° |
| C05 | C06 | H062 | 108.9° | 108.8° |
| C05 | C06 | H061 | 108.9° | 108.8° |
| C04 | C05 | C20 | 110.0° | 108.4° |
| C05 | C04 | C03 | 111.6° | 111.9° |
| C05 | C04 | H041 | 108.9° | 109.0° |
| C05 | C04 | H042 | 108.9° | 108.9° |
| C04 | C05 | H051 | 109.3° | 107.4° |
| C05 | C20 | N10 | 119.7° | 110.7° |
| C05 | C20 | H202 | 106.8° | 109.2° |
| C05 | C20 | H201 | 106.8° | 109.2° |
| C20 | C05 | H051 | 109.1° | 107.5° |
| C03 | C08 | C09 | 113.0° | 110.5° |
| C08 | C03 | C04 | 111.9° | 113.9° |
| C08 | C03 | C02 | 114.2° | 108.6° |
| C08 | C03 | H031 | 106.6° | 108.5° |
| C03 | C08 | H081 | 108.0° | 108.1° |
| C08 | C09 | N10 | 123.3° | 109.2° |
| C09 | C08 | H081 | 108.4° | 107.3° |
| C08 | C09 | H091 | 105.9° | 109.5° |
| C08 | C09 | H092 | 105.9° | 109.5° |
| C04 | C03 | C02 | 110.3° | 108.6° |
| C04 | C03 | H031 | 106.7° | 108.7° |
| C03 | C04 | H041 | 109.0° | 109.0° |
| C03 | C04 | H042 | 109.0° | 109.0° |
| C03 | C02 | O01 | 118.2° | 120.0° |
| C03 | C02 | O21 | 122.1° | 120.0° |
| C02 | C03 | H031 | 106.6° | 108.6° |
| C09 | N10 | C20 | 113.3° | 115.1° |
| C09 | N10 | C11 | 103.7° | 111.0° |
| N10 | C09 | H091 | 105.9° | 109.6° |
| N10 | C09 | H092 | 105.9° | 109.5° |
| C20 | N10 | C11 | 117.8° | 111.0° |
| N10 | C20 | H202 | 106.9° | 109.3° |
| N10 | C20 | H201 | 106.9° | 109.2° |
| N10 | C11 | N19 | 116.7° | 120.7° |
| N10 | C11 | C12 | 124.1° | 120.8° |
| O01 | C02 | O21 | 119.6° | 120.0° |
| C02 | O21 | H2 | 109.5° | 116.9° |
| N19 | C11 | C12 | 119.2° | 118.5° |
| C11 | N19 | C18 | 121.6° | 121.0° |
| C11 | C12 | N13 | 136.4° | 135.3° |
| C11 | C12 | C16 | 117.2° | 118.6° |
| N19 | C18 | N17 | 121.3° | 122.6° |
| N19 | C18 | H181 | 119.3° | 118.7° |
| C18 | N17 | C16 | 120.7° | 120.6° |
| N17 | C18 | H181 | 119.4° | 118.7° |
| N13 | C12 | C16 | 106.5° | 106.1° |
| C12 | N13 | C14 | 108.4° | 107.2° |
| C12 | N13 | H131 | 125.8° | 126.3° |
| C12 | C16 | N17 | 120.0° | 118.6° |
| C12 | C16 | N15 | 106.9° | 106.8° |
| N13 | C14 | N15 | 109.8° | 110.1° |
| N13 | C14 | H141 | 125.1° | 124.9° |
| C14 | N13 | H131 | 125.8° | 126.5° |
| N17 | C16 | N15 | 133.1° | 134.5° |
| C16 | N15 | C14 | 108.4° | 109.8° |
| N15 | C14 | H141 | 125.1° | 124.9° |
| H202 | C20 | H201 | 109.5° | 109.3° |
| H041 | C04 | H042 | 109.4° | 109.0° |
| H062 | C06 | H061 | 109.5° | 108.8° |
| H072 | C07 | H071 | 109.5° | 108.8° |
| H091 | C09 | H092 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H072 | 120.6° | 120.7° |
| C06 | C07 | C08 | H071 | 120.6° | 120.8° |
| C07 | C06 | C05 | H062 | 120.3° | 120.8° |
| C07 | C06 | C05 | H061 | 120.3° | 120.7° |
| C07 | C06 | C05 | C04 | 41.4° | 60.2° |
| C07 | C06 | C05 | C20 | 79.5° | 63.6° |
| C06 | C07 | C08 | C03 | 55.7° | 38.9° |
| C06 | C07 | C08 | C09 | 68.6° | 84.9° |
| C07 | C06 | C05 | H051 | 161.8° | 177.4° |
| C07 | C06 | H062 | H061 | 119.0° | 118.3° |
| C06 | C07 | H072 | H071 | 118.2° | 118.6° |
| C06 | C07 | C08 | H081 | 176.0° | 158.8° |
| C08 | C07 | C06 | C05 | 16.4° | 16.5° |
| C07 | C08 | C03 | C09 | 119.7° | 123.1° |
| C07 | C08 | C03 | H081 | 120.4° | 119.8° |
| C07 | C08 | C09 | H081 | 115.4° | 116.8° |
| C07 | C08 | C03 | C04 | 32.5° | 53.9° |
| C07 | C08 | C03 | C02 | 158.8° | 174.9° |
| C07 | C08 | C09 | N10 | 56.6° | 31.4° |
| C07 | C08 | C03 | H031 | 83.7° | 67.3° |
| C08 | C07 | C06 | H062 | 136.7° | 137.3° |
| C08 | C07 | C06 | H061 | 103.9° | 104.3° |
| C08 | C07 | H072 | H071 | 118.2° | 118.6° |
| C07 | C08 | C09 | H091 | 65.3° | 88.5° |
| C07 | C08 | C09 | H092 | 178.5° | 151.3° |
| C06 | C05 | C04 | C20 | 120.1° | 127.3° |
| C06 | C05 | C04 | H051 | 120.1° | 116.8° |
| C06 | C05 | C20 | H051 | 118.5° | 118.6° |
| C06 | C05 | C04 | C03 | 64.8° | 45.0° |
| C06 | C05 | C20 | N10 | 25.3° | 34.4° |
| C06 | C05 | C20 | H202 | 146.8° | 154.7° |
| C06 | C05 | C20 | H201 | 96.1° | 85.9° |
| C06 | C05 | C04 | H041 | 55.5° | 165.7° |
| C06 | C05 | C04 | H042 | 174.8° | 75.5° |
| C05 | C06 | H062 | H061 | 119.0° | 118.4° |
| C05 | C06 | C07 | H072 | 137.0° | 104.3° |
| C05 | C06 | C07 | H071 | 104.2° | 137.2° |
| C04 | C05 | C20 | H051 | 119.9° | 115.8° |
| C05 | C04 | C03 | C08 | 25.7° | 10.2° |
| C05 | C04 | C03 | H041 | 120.3° | 120.7° |
| C05 | C04 | C03 | H042 | 120.3° | 120.4° |
| C05 | C04 | C03 | C02 | 102.7° | 131.3° |
| C04 | C05 | C20 | N10 | 96.3° | 91.2° |
| C04 | C05 | C20 | H202 | 25.2° | 29.1° |
| C04 | C05 | C20 | H201 | 142.3° | 148.5° |
| C05 | C04 | C03 | H031 | 141.8° | 110.8° |
| C05 | C04 | H041 | H042 | 119.0° | 118.7° |
| C04 | C05 | C06 | H062 | 78.9° | 178.9° |
| C04 | C05 | C06 | H061 | 161.8° | 60.5° |
| C20 | C05 | C04 | C03 | 55.3° | 82.3° |
| C05 | C20 | N10 | C09 | 53.1° | 63.9° |
| C05 | C20 | N10 | H202 | 121.4° | 120.3° |
| C05 | C20 | N10 | H201 | 121.4° | 120.2° |
| C05 | C20 | N10 | C11 | 174.4° | 168.9° |
| C05 | C20 | H202 | H201 | 115.3° | 119.3° |
| C20 | C05 | C04 | H041 | 175.6° | 38.4° |
| C20 | C05 | C04 | H042 | 65.1° | 157.2° |
| C20 | C05 | C06 | H062 | 160.1° | 57.2° |
| C20 | C05 | C06 | H061 | 40.8° | 175.7° |
| C03 | C08 | C09 | H081 | 119.7° | 117.6° |
| C08 | C03 | C04 | C02 | 128.4° | 121.0° |
| C08 | C03 | C04 | H031 | 116.2° | 121.0° |
| C08 | C03 | C02 | H031 | 117.4° | 117.8° |
| C03 | C08 | C09 | N10 | 68.3° | 94.1° |
| C08 | C03 | C02 | O01 | 71.0° | 99.7° |
| C08 | C03 | C02 | O21 | 111.3° | 80.4° |
| C08 | C03 | C04 | H041 | 94.7° | 110.4° |
| C08 | C03 | C04 | H042 | 146.0° | 130.7° |
| C03 | C08 | C07 | H072 | 176.3° | 159.6° |
| C03 | C08 | C07 | H071 | 64.9° | 81.8° |
| C03 | C08 | C09 | H091 | 169.8° | 145.9° |
| C03 | C08 | C09 | H092 | 53.6° | 25.7° |
| C09 | C08 | C03 | C04 | 87.2° | 69.2° |
| C09 | C08 | C03 | C02 | 39.1° | 51.9° |
| C08 | C09 | N10 | H091 | 121.9° | 120.0° |
| C08 | C09 | N10 | H092 | 121.9° | 119.8° |
| C08 | C09 | N10 | C20 | 32.3° | 67.2° |
| C08 | C09 | N10 | C11 | 161.2° | 165.7° |
| C09 | C08 | C03 | H031 | 156.5° | 169.7° |
| C09 | C08 | C07 | H072 | 52.1° | 35.9° |
| C09 | C08 | C07 | H071 | 170.9° | 154.4° |
| C08 | C09 | H091 | H092 | 113.8° | 120.1° |
| C04 | C03 | C02 | H031 | 115.5° | 118.0° |
| C04 | C03 | C02 | O01 | 162.0° | 24.5° |
| C04 | C03 | C02 | O21 | 15.7° | 155.4° |
| C03 | C04 | H041 | H042 | 119.1° | 118.9° |
| C03 | C04 | C05 | H051 | 175.0° | 161.8° |
| C04 | C03 | C08 | H081 | 152.9° | 173.7° |
| C03 | C02 | O01 | O21 | 177.8° | 179.9° |
| C02 | C03 | C04 | H041 | 137.0° | 10.6° |
| C02 | C03 | C04 | H042 | 17.6° | 108.3° |
| C02 | C03 | C08 | H081 | 80.8° | 65.3° |
| C03 | C02 | O21 | H2 | 177.7° | 180.0° |
| C09 | N10 | C20 | C11 | 121.3° | 127.2° |
| C09 | N10 | C11 | N19 | 76.3° | 5.4° |
| C09 | N10 | C11 | C12 | 100.6° | 173.9° |
| C09 | N10 | C20 | H202 | 68.3° | 56.4° |
| C09 | N10 | C20 | H201 | 174.5° | 175.8° |
| N10 | C09 | C08 | H081 | 172.0° | 148.2° |
| N10 | C09 | H091 | H092 | 113.8° | 120.2° |
| C20 | N10 | C11 | N19 | 157.6° | 124.0° |
| C20 | N10 | C11 | C12 | 25.5° | 56.6° |
| N10 | C20 | H202 | H201 | 115.4° | 119.4° |
| N10 | C20 | C05 | H051 | 143.9° | 153.0° |
| C20 | N10 | C09 | H091 | 154.2° | 172.9° |
| C20 | N10 | C09 | H092 | 89.6° | 52.7° |
| N10 | C11 | N19 | C12 | 177.1° | 179.4° |
| N10 | C11 | N19 | C18 | 178.7° | 180.0° |
| N10 | C11 | C12 | N13 | 2.4° | 0.6° |
| N10 | C11 | C12 | C16 | 178.3° | 179.8° |
| C11 | N10 | C20 | H202 | 53.0° | 70.8° |
| C11 | N10 | C20 | H201 | 64.2° | 48.6° |
| C11 | N10 | C09 | H091 | 76.9° | 45.7° |
| C11 | N10 | C09 | H092 | 39.3° | 74.5° |
| O01 | C02 | C03 | H031 | 46.5° | 142.5° |
| O01 | C02 | O21 | H2 | 0.0° | 0.0° |
| O21 | C02 | C03 | H031 | 131.2° | 37.4° |
| C11 | N19 | C18 | N17 | 0.8° | 0.1° |
| N19 | C11 | C12 | N13 | 179.3° | 180.0° |
| N19 | C11 | C12 | C16 | 1.5° | 0.9° |
| C11 | N19 | C18 | H181 | 179.2° | 179.7° |
| C12 | C11 | N19 | C18 | 1.6° | 0.6° |
| C11 | C12 | N13 | C16 | 179.3° | 179.2° |
| C11 | C12 | N13 | C14 | 179.1° | 179.3° |
| C11 | C12 | C16 | N17 | 0.6° | 0.5° |
| C11 | C12 | C16 | N15 | 179.4° | 179.4° |
| C11 | C12 | N13 | H131 | 0.9° | 0.8° |
| N19 | C18 | N17 | H181 | 180.0° | 179.8° |
| N19 | C18 | N17 | C16 | 0.1° | 0.3° |
| C18 | N17 | C16 | C12 | 0.2° | 0.0° |
| C18 | N17 | C16 | N15 | 179.8° | 180.0° |
| C12 | N13 | C14 | H131 | 180.0° | 179.9° |
| N13 | C12 | C16 | N17 | 179.9° | 179.9° |
| N13 | C12 | C16 | N15 | 0.0° | 0.0° |
| C12 | N13 | C14 | N15 | 0.4° | 0.0° |
| C12 | N13 | C14 | H141 | 179.7° | 180.0° |
| C16 | C12 | N13 | C14 | 0.2° | 0.0° |
| C12 | C16 | N17 | N15 | 179.9° | 179.9° |
| C12 | C16 | N15 | C14 | 0.2° | 0.0° |
| C16 | C12 | N13 | H131 | 179.8° | 180.0° |
| N13 | C14 | N15 | C16 | 0.3° | 0.0° |
| N13 | C14 | N15 | H141 | 180.0° | 180.0° |
| N17 | C16 | N15 | C14 | 179.9° | 179.9° |
| C16 | N17 | C18 | H181 | 179.9° | 180.0° |
| C16 | N15 | C14 | H141 | 179.7° | 180.0° |
| N15 | C14 | N13 | H131 | 179.6° | 180.0° |
| H141 | C14 | N13 | H131 | 0.3° | 0.0° |
| H202 | C20 | C05 | H051 | 94.7° | 86.7° |
| H201 | C20 | C05 | H051 | 22.4° | 32.7° |
| H031 | C03 | C04 | H041 | 21.5° | 128.5° |
| H031 | C03 | C04 | H042 | 97.8° | 9.6° |
| H031 | C03 | C08 | H081 | 36.7° | 52.5° |
| H041 | C04 | C05 | H051 | 64.7° | 77.5° |
| H042 | C04 | C05 | H051 | 54.7° | 41.3° |
| H051 | C05 | C06 | H062 | 41.5° | 61.7° |
| H051 | C05 | C06 | H061 | 77.8° | 56.7° |
| H062 | C06 | C07 | H072 | 102.7° | 16.6° |
| H062 | C06 | C07 | H071 | 16.1° | 101.9° |
| H061 | C06 | C07 | H072 | 16.7° | 135.0° |
| H061 | C06 | C07 | H071 | 135.5° | 16.5° |
| H072 | C07 | C08 | H081 | 63.4° | 80.5° |
| H071 | C07 | C08 | H081 | 55.4° | 38.0° |
| H081 | C08 | C09 | H091 | 50.1° | 28.3° |
| H081 | C08 | C09 | H092 | 66.1° | 91.9° |
