S7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C05 | O07 | sing | 1.43Å | 1.40Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C04 | N03 | sing | 1.47Å | 1.57Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| N03 | C08 | sing | 1.35Å | 1.45Å | |
| C02 | N17 | sing | 1.35Å | 1.44Å | |
| O09 | C08 | doub | 1.22Å | 1.24Å | |
| C08 | N10 | sing | 1.35Å | 1.47Å | |
| N17 | C18 | sing | 1.46Å | 1.54Å | |
| N17 | C15 | sing | 1.35Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| N10 | C15 | sing | 1.35Å | 1.45Å | |
| N10 | C11 | sing | 1.46Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | O21 | sing | 1.43Å | 1.47Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C19 | O21 | sing | 1.43Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | O14 | sing | 1.43Å | 1.47Å | |
| C12 | O14 | sing | 1.43Å | 1.49Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | 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 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| O07 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | O07 | 109.1° | 109.5° |
| C06 | C05 | C04 | 111.9° | 109.5° |
| C06 | C05 | H051 | 108.5° | 109.5° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C06 | H2 | 109.4° | 109.5° |
| O07 | C05 | C04 | 108.6° | 109.5° |
| O07 | C05 | H051 | 110.6° | 109.4° |
| C05 | O07 | H1 | 109.5° | 114.0° |
| C05 | C04 | N03 | 115.5° | 109.5° |
| C05 | C04 | H041 | 108.0° | 109.5° |
| C05 | C04 | H042 | 108.0° | 109.5° |
| C04 | C05 | H051 | 108.2° | 109.4° |
| C04 | N03 | C02 | 120.0° | 120.0° |
| C04 | N03 | C08 | 121.3° | 120.0° |
| N03 | C04 | H041 | 108.0° | 109.4° |
| N03 | C04 | H042 | 108.0° | 109.5° |
| O01 | C02 | N03 | 119.6° | 120.0° |
| O01 | C02 | N17 | 118.4° | 120.1° |
| C02 | N03 | C08 | 118.6° | 120.0° |
| N03 | C02 | N17 | 122.0° | 120.0° |
| N03 | C08 | O09 | 118.9° | 120.0° |
| N03 | C08 | N10 | 120.8° | 120.0° |
| C02 | N17 | C18 | 119.0° | 120.0° |
| C02 | N17 | C15 | 119.2° | 120.0° |
| O09 | C08 | N10 | 120.3° | 120.0° |
| C08 | N10 | C15 | 118.6° | 120.0° |
| C08 | N10 | C11 | 121.6° | 120.0° |
| C18 | N17 | C15 | 121.7° | 120.0° |
| N17 | C18 | C19 | 113.4° | 109.5° |
| N17 | C18 | H181 | 108.5° | 109.5° |
| N17 | C18 | H182 | 108.5° | 109.5° |
| N17 | C15 | N10 | 120.6° | 120.0° |
| N17 | C15 | O16 | 120.0° | 120.0° |
| C18 | C19 | C20 | 116.1° | 117.8° |
| C18 | C19 | O21 | 118.3° | 117.8° |
| C19 | C18 | H181 | 108.5° | 109.4° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C18 | C19 | H191 | 116.8° | 115.7° |
| C15 | N10 | C11 | 119.7° | 120.0° |
| N10 | C15 | O16 | 119.3° | 120.0° |
| N10 | C11 | C12 | 110.4° | 109.5° |
| N10 | C11 | H112 | 109.2° | 109.5° |
| N10 | C11 | H111 | 109.2° | 109.5° |
| C19 | C20 | O21 | 58.5° | 57.6° |
| C20 | C19 | O21 | 57.8° | 57.6° |
| C20 | C19 | H191 | 116.6° | 117.8° |
| C19 | C20 | H202 | 120.3° | 117.8° |
| C19 | C20 | H201 | 120.2° | 117.8° |
| C20 | O21 | C19 | 63.6° | 64.8° |
| O21 | C20 | H202 | 120.3° | 117.8° |
| O21 | C20 | H201 | 120.2° | 117.8° |
| O21 | C19 | H191 | 118.1° | 117.8° |
| C11 | C12 | C13 | 120.7° | 117.8° |
| C11 | C12 | O14 | 114.7° | 117.8° |
| C12 | C11 | H112 | 109.2° | 109.5° |
| C12 | C11 | H111 | 109.2° | 109.4° |
| C11 | C12 | H121 | 116.9° | 115.7° |
| C12 | C13 | O14 | 59.1° | 57.7° |
| C13 | C12 | O14 | 57.6° | 57.6° |
| C13 | C12 | H121 | 116.2° | 117.8° |
| C12 | C13 | H131 | 120.1° | 117.7° |
| C12 | C13 | H132 | 120.2° | 117.8° |
| C13 | O14 | C12 | 63.3° | 64.7° |
| O14 | C13 | H131 | 120.1° | 117.7° |
| O14 | C13 | H132 | 120.2° | 117.8° |
| O14 | C12 | H121 | 117.4° | 117.8° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 115.8° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 115.7° |
| H041 | C04 | H042 | 109.4° | 109.4° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H061 | C06 | H2 | 109.5° | 109.5° |
| H062 | C06 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | O07 | C04 | 122.2° | 120.1° |
| C06 | C05 | O07 | H051 | 119.2° | 120.0° |
| C06 | C05 | C04 | H051 | 119.4° | 120.1° |
| C06 | C05 | C04 | N03 | 36.0° | 180.0° |
| C06 | C05 | C04 | H041 | 84.9° | 60.0° |
| C06 | C05 | C04 | H042 | 156.9° | 59.9° |
| C05 | C06 | H061 | H062 | 120.0° | 120.0° |
| C05 | C06 | H061 | H2 | 120.0° | 120.0° |
| C05 | C06 | H062 | H2 | 120.0° | 120.0° |
| C06 | C05 | O07 | H1 | 91.6° | 60.0° |
| O07 | C05 | C04 | H051 | 120.1° | 119.9° |
| O07 | C05 | C04 | N03 | 84.5° | 59.9° |
| O07 | C05 | C04 | H041 | 154.6° | 60.1° |
| O07 | C05 | C04 | H042 | 36.4° | 180.0° |
| O07 | C05 | C06 | H061 | 180.0° | 180.0° |
| O07 | C05 | C06 | H062 | 60.0° | 60.0° |
| O07 | C05 | C06 | H2 | 60.0° | 60.0° |
| C05 | C04 | N03 | H041 | 120.9° | 120.0° |
| C05 | C04 | N03 | H042 | 120.9° | 120.1° |
| C05 | C04 | N03 | C02 | 101.5° | 90.0° |
| C05 | C04 | N03 | C08 | 77.9° | 90.0° |
| C05 | C04 | H041 | H042 | 117.3° | 120.0° |
| C04 | C05 | C06 | H061 | 59.7° | 60.0° |
| C04 | C05 | C06 | H062 | 60.2° | 60.0° |
| C04 | C05 | C06 | H2 | 179.8° | 180.0° |
| C04 | C05 | O07 | H1 | 30.6° | 179.9° |
| C04 | N03 | C02 | O01 | 0.5° | 0.2° |
| C04 | N03 | C02 | C08 | 179.4° | 180.0° |
| C04 | N03 | C02 | N17 | 179.6° | 179.7° |
| C04 | N03 | C08 | O09 | 0.6° | 0.0° |
| C04 | N03 | C08 | N10 | 179.1° | 180.0° |
| N03 | C04 | H041 | H042 | 117.3° | 120.0° |
| N03 | C04 | C05 | H051 | 155.4° | 60.0° |
| O01 | C02 | N03 | N17 | 179.9° | 179.9° |
| O01 | C02 | N03 | C08 | 180.0° | 179.8° |
| O01 | C02 | N17 | C18 | 0.6° | 0.0° |
| O01 | C02 | N17 | C15 | 179.7° | 179.5° |
| C02 | N03 | C08 | O09 | 180.0° | 180.0° |
| C02 | N03 | C08 | N10 | 0.3° | 0.0° |
| N03 | C02 | N17 | C18 | 179.3° | 180.0° |
| N03 | C02 | N17 | C15 | 0.2° | 0.6° |
| C02 | N03 | C04 | H041 | 19.4° | 30.0° |
| C02 | N03 | C04 | H042 | 137.6° | 149.9° |
| C08 | N03 | C02 | N17 | 0.2° | 0.3° |
| N03 | C08 | O09 | N10 | 179.8° | 180.0° |
| N03 | C08 | N10 | C15 | 1.1° | 0.0° |
| N03 | C08 | N10 | C11 | 178.5° | 179.7° |
| C08 | N03 | C04 | H041 | 161.2° | 150.0° |
| C08 | N03 | C04 | H042 | 43.0° | 30.1° |
| C02 | N17 | C18 | C15 | 179.1° | 179.5° |
| C02 | N17 | C18 | C19 | 124.6° | 90.0° |
| C02 | N17 | C15 | N10 | 1.1° | 0.6° |
| C02 | N17 | C15 | O16 | 179.7° | 179.5° |
| C02 | N17 | C18 | H181 | 114.8° | 30.0° |
| C02 | N17 | C18 | H182 | 4.1° | 150.0° |
| O09 | C08 | N10 | C15 | 179.2° | 180.0° |
| O09 | C08 | N10 | C11 | 1.7° | 0.3° |
| C08 | N10 | C15 | N17 | 1.5° | 0.3° |
| C08 | N10 | C15 | C11 | 177.5° | 179.7° |
| C08 | N10 | C15 | O16 | 179.3° | 179.7° |
| C08 | N10 | C11 | C12 | 79.1° | 89.8° |
| C08 | N10 | C11 | H112 | 41.1° | 30.3° |
| C08 | N10 | C11 | H111 | 160.8° | 150.2° |
| N17 | C18 | C19 | H181 | 120.6° | 120.0° |
| N17 | C18 | C19 | H182 | 120.6° | 120.0° |
| C18 | N17 | C15 | N10 | 179.9° | 180.0° |
| N17 | C18 | C19 | C20 | 72.6° | 177.4° |
| C18 | N17 | C15 | O16 | 0.7° | 0.0° |
| N17 | C18 | C19 | O21 | 6.8° | 111.4° |
| N17 | C18 | H181 | H182 | 118.2° | 120.0° |
| N17 | C18 | C19 | H191 | 143.6° | 35.6° |
| C15 | N17 | C18 | C19 | 54.4° | 89.5° |
| N17 | C15 | N10 | O16 | 179.2° | 180.0° |
| N17 | C15 | N10 | C11 | 179.0° | 180.0° |
| C15 | N17 | C18 | H181 | 66.2° | 150.5° |
| C15 | N17 | C18 | H182 | 175.0° | 30.5° |
| C18 | C19 | C20 | O21 | 108.4° | 106.9° |
| C18 | C19 | C20 | H191 | 143.8° | 146.3° |
| C18 | C19 | O21 | H191 | 150.0° | 146.3° |
| C19 | C18 | H181 | H182 | 118.2° | 120.0° |
| C18 | C19 | C20 | H202 | 142.6° | 146.3° |
| C18 | C19 | C20 | H201 | 0.7° | 0.0° |
| C15 | N10 | C11 | C12 | 98.4° | 90.0° |
| C15 | N10 | C11 | H112 | 141.4° | 150.0° |
| C15 | N10 | C11 | H111 | 21.7° | 30.0° |
| C11 | N10 | C15 | O16 | 1.8° | 0.0° |
| N10 | C11 | C12 | H112 | 120.2° | 120.0° |
| N10 | C11 | C12 | H111 | 120.1° | 120.0° |
| N10 | C11 | C12 | C13 | 2.3° | 177.6° |
| N10 | C11 | C12 | O14 | 67.9° | 116.4° |
| N10 | C11 | H112 | H111 | 119.6° | 120.0° |
| N10 | C11 | C12 | H121 | 148.8° | 30.5° |
| C19 | C20 | O21 | H202 | 109.1° | 106.8° |
| C19 | C20 | O21 | H201 | 109.1° | 106.8° |
| C20 | C19 | O21 | H191 | 105.3° | 106.9° |
| C20 | C19 | C18 | H181 | 166.8° | 57.4° |
| C20 | C19 | C18 | H182 | 48.0° | 62.6° |
| C19 | C20 | H202 | H201 | 145.5° | 147.0° |
| O21 | C20 | H202 | H201 | 145.5° | 147.0° |
| O21 | C19 | C18 | H181 | 127.4° | 8.6° |
| O21 | C19 | C18 | H182 | 113.8° | 128.6° |
| C11 | C12 | C13 | O14 | 101.6° | 106.8° |
| C11 | C12 | C13 | H121 | 151.3° | 146.4° |
| C11 | C12 | O14 | H121 | 143.0° | 146.2° |
| C12 | C11 | H112 | H111 | 119.5° | 119.9° |
| C11 | C12 | C13 | H131 | 7.6° | 0.1° |
| C11 | C12 | C13 | H132 | 149.2° | 146.3° |
| C12 | C13 | O14 | H131 | 109.2° | 106.8° |
| C12 | C13 | O14 | H132 | 109.2° | 106.8° |
| C13 | C12 | O14 | H121 | 105.1° | 106.9° |
| C13 | C12 | C11 | H112 | 122.5° | 62.4° |
| C13 | C12 | C11 | H111 | 117.8° | 57.6° |
| C12 | C13 | H131 | H132 | 145.3° | 146.9° |
| O14 | C13 | H131 | H132 | 145.2° | 147.1° |
| O14 | C12 | C11 | H112 | 171.9° | 3.7° |
| O14 | C12 | C11 | H111 | 52.2° | 123.6° |
| H112 | C11 | C12 | H121 | 28.7° | 150.5° |
| H111 | C11 | C12 | H121 | 91.0° | 89.6° |
| H121 | C12 | C13 | H131 | 143.7° | 146.4° |
| H121 | C12 | C13 | H132 | 2.1° | 0.1° |
| H181 | C18 | C19 | H191 | 23.1° | 155.6° |
| H182 | C18 | C19 | H191 | 95.8° | 84.4° |
| H191 | C19 | C20 | H202 | 1.2° | 0.0° |
| H191 | C19 | C20 | H201 | 143.1° | 146.3° |
| H041 | C04 | C05 | H051 | 34.5° | 180.0° |
| H042 | C04 | C05 | H051 | 83.7° | 60.1° |
| H051 | C05 | C06 | H061 | 59.5° | 60.0° |
| H051 | C05 | C06 | H062 | 179.5° | 180.0° |
| H051 | C05 | C06 | H2 | 60.5° | 60.0° |
| H051 | C05 | O07 | H1 | 149.2° | 60.0° |
| H061 | C06 | H062 | H2 | 120.0° | 120.0° |
