S7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | S08 | doub | 1.42Å | 1.46Å | |
| O19 | S08 | doub | 1.42Å | 1.46Å | |
| S08 | C07 | sing | 1.76Å | 1.80Å | |
| S08 | N10 | sing | 1.66Å | 1.69Å | |
| C20 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | N05 | doub | 1.32Å | 1.32Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.54Å | |
| N10 | C18 | sing | 1.47Å | 1.52Å | |
| C03 | N05 | sing | 1.32Å | 1.31Å | Aromatic |
| C03 | N04 | sing | 1.39Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.57Å | |
| N16 | C15 | sing | 1.35Å | 1.45Å | |
| C15 | O17 | doub | 1.21Å | 1.18Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| N04 | H042 | sing | 0.97Å | 1.00Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | S08 | O19 | 102.8° | 123.1° |
| O09 | S08 | C07 | 112.5° | 106.4° |
| O09 | S08 | N10 | 112.8° | 106.4° |
| O19 | S08 | C07 | 112.2° | 106.4° |
| O19 | S08 | N10 | 112.4° | 106.4° |
| C07 | S08 | N10 | 104.3° | 107.2° |
| S08 | C07 | C20 | 120.9° | 120.3° |
| S08 | C07 | C06 | 119.6° | 120.4° |
| S08 | N10 | C11 | 118.9° | 120.6° |
| S08 | N10 | C18 | 118.0° | 120.7° |
| C07 | C20 | C02 | 118.4° | 118.5° |
| C20 | C07 | C06 | 119.4° | 119.3° |
| C07 | C20 | H201 | 120.8° | 120.8° |
| C20 | C02 | C01 | 121.5° | 120.5° |
| C20 | C02 | C03 | 118.9° | 119.1° |
| C02 | C20 | H201 | 120.8° | 120.7° |
| C07 | C06 | N05 | 120.6° | 120.9° |
| C07 | C06 | H061 | 119.7° | 119.5° |
| C01 | C02 | C03 | 119.6° | 120.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | N05 | 120.8° | 120.6° |
| C02 | C03 | N04 | 119.9° | 119.7° |
| C06 | N05 | C03 | 121.9° | 121.6° |
| N05 | C06 | H061 | 119.7° | 119.6° |
| C11 | N10 | C18 | 107.9° | 118.7° |
| N10 | C11 | C12 | 112.6° | 108.8° |
| N10 | C11 | H112 | 108.7° | 109.5° |
| N10 | C11 | H111 | 108.7° | 109.7° |
| N10 | C18 | C14 | 110.2° | 108.8° |
| N10 | C18 | H181 | 109.3° | 109.6° |
| N10 | C18 | H182 | 109.3° | 109.7° |
| N05 | C03 | N04 | 119.3° | 119.7° |
| C03 | N04 | H042 | 109.5° | 120.0° |
| C03 | N04 | H041 | 109.5° | 120.0° |
| C11 | C12 | C13 | 111.2° | 109.3° |
| C11 | C12 | H121 | 109.0° | 109.5° |
| C11 | C12 | H122 | 109.0° | 109.5° |
| C12 | C11 | H112 | 108.7° | 109.6° |
| C12 | C11 | H111 | 108.7° | 109.6° |
| C18 | C14 | C13 | 110.7° | 109.3° |
| C18 | C14 | C15 | 106.1° | 109.5° |
| C14 | C18 | H181 | 109.3° | 109.6° |
| C14 | C18 | H182 | 109.3° | 109.5° |
| C18 | C14 | H141 | 108.9° | 109.5° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C13 | C14 | H141 | 109.8° | 109.5° |
| C14 | C13 | H132 | 108.9° | 109.4° |
| C14 | C13 | H131 | 108.9° | 109.4° |
| C14 | C15 | N16 | 118.6° | 120.0° |
| C14 | C15 | O17 | 120.8° | 120.1° |
| C15 | C14 | H141 | 108.4° | 109.5° |
| N16 | C15 | O17 | 120.6° | 119.9° |
| C15 | N16 | H161 | 120.0° | 120.0° |
| C15 | N16 | H162 | 120.0° | 120.0° |
| H181 | C18 | H182 | 109.5° | 109.6° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.6° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H042 | N04 | H041 | 109.5° | 120.0° |
| H161 | N16 | H162 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | S08 | O19 | C07 | 121.2° | 123.0° |
| O09 | S08 | O19 | N10 | 121.7° | 122.9° |
| O09 | S08 | C07 | N10 | 122.7° | 113.6° |
| O09 | S08 | C07 | C20 | 27.9° | 156.5° |
| O09 | S08 | C07 | C06 | 154.4° | 23.6° |
| O09 | S08 | N10 | C11 | 60.6° | 23.6° |
| O09 | S08 | N10 | C18 | 165.7° | 156.4° |
| O19 | S08 | C07 | N10 | 121.9° | 113.5° |
| O19 | S08 | C07 | C20 | 143.3° | 23.6° |
| O19 | S08 | C07 | C06 | 39.0° | 156.4° |
| O19 | S08 | N10 | C11 | 176.4° | 156.4° |
| O19 | S08 | N10 | C18 | 50.0° | 23.5° |
| S08 | C07 | C20 | C06 | 177.7° | 180.0° |
| S08 | C07 | C20 | C02 | 179.5° | 180.0° |
| S08 | C07 | C06 | N05 | 179.4° | 180.0° |
| C07 | S08 | N10 | C11 | 61.8° | 90.0° |
| C07 | S08 | N10 | C18 | 71.8° | 90.0° |
| S08 | C07 | C20 | H201 | 0.5° | 0.3° |
| S08 | C07 | C06 | H061 | 0.6° | 0.0° |
| N10 | S08 | C07 | C20 | 94.8° | 90.0° |
| N10 | S08 | C07 | C06 | 82.9° | 90.0° |
| S08 | N10 | C11 | C18 | 137.8° | 179.9° |
| S08 | N10 | C11 | C12 | 168.4° | 126.4° |
| S08 | N10 | C18 | C14 | 165.5° | 126.4° |
| S08 | N10 | C18 | H181 | 45.4° | 113.8° |
| S08 | N10 | C18 | H182 | 74.3° | 6.5° |
| S08 | N10 | C11 | H112 | 71.1° | 6.6° |
| S08 | N10 | C11 | H111 | 48.0° | 113.8° |
| C07 | C20 | C02 | H201 | 180.0° | 179.7° |
| C07 | C20 | C02 | C01 | 179.2° | 180.0° |
| C07 | C20 | C02 | C03 | 0.9° | 0.0° |
| C20 | C07 | C06 | N05 | 1.7° | 0.0° |
| C20 | C07 | C06 | H061 | 178.3° | 180.0° |
| C02 | C20 | C07 | C06 | 1.8° | 0.0° |
| C20 | C02 | C01 | C03 | 179.9° | 179.9° |
| C20 | C02 | C03 | N05 | 0.2° | 0.0° |
| C20 | C02 | C03 | N04 | 179.9° | 180.0° |
| C20 | C02 | C01 | H011 | 89.9° | 90.0° |
| C20 | C02 | C01 | H012 | 150.0° | 150.0° |
| C20 | C02 | C01 | H013 | 30.1° | 30.1° |
| C07 | C06 | N05 | H061 | 180.0° | 180.0° |
| C07 | C06 | N05 | C03 | 0.5° | 0.0° |
| C06 | C07 | C20 | H201 | 178.2° | 179.7° |
| C01 | C02 | C03 | N05 | 179.7° | 179.9° |
| C01 | C02 | C03 | N04 | 0.3° | 0.0° |
| C01 | C02 | C20 | H201 | 0.8° | 0.2° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 119.9° | 120.0° |
| C02 | C03 | N05 | C06 | 0.4° | 0.0° |
| C02 | C03 | N05 | N04 | 179.9° | 180.0° |
| C03 | C02 | C20 | H201 | 179.1° | 179.7° |
| C03 | C02 | C01 | H011 | 89.9° | 90.0° |
| C03 | C02 | C01 | H012 | 30.1° | 30.0° |
| C03 | C02 | C01 | H013 | 150.0° | 150.0° |
| C02 | C03 | N04 | H042 | 179.9° | 0.0° |
| C02 | C03 | N04 | H041 | 60.1° | 180.0° |
| C06 | N05 | C03 | N04 | 179.7° | 180.0° |
| N10 | C11 | C12 | H112 | 120.5° | 119.8° |
| N10 | C11 | C12 | H111 | 120.5° | 119.9° |
| C11 | N10 | C18 | C14 | 56.1° | 53.6° |
| N10 | C11 | C12 | C13 | 54.1° | 54.6° |
| C11 | N10 | C18 | H181 | 176.2° | 66.2° |
| C11 | N10 | C18 | H182 | 64.0° | 173.4° |
| N10 | C11 | C12 | H121 | 174.3° | 65.3° |
| N10 | C11 | C12 | H122 | 66.2° | 174.6° |
| N10 | C11 | H112 | H111 | 118.6° | 120.4° |
| C18 | N10 | C11 | C12 | 53.7° | 53.6° |
| N10 | C18 | C14 | H181 | 120.1° | 119.8° |
| N10 | C18 | C14 | H182 | 120.1° | 119.9° |
| N10 | C18 | C14 | C13 | 60.3° | 54.6° |
| N10 | C18 | C14 | C15 | 177.0° | 174.6° |
| N10 | C18 | H181 | H182 | 119.7° | 120.5° |
| N10 | C18 | C14 | H141 | 60.5° | 65.3° |
| C18 | N10 | C11 | H112 | 66.7° | 173.4° |
| C18 | N10 | C11 | H111 | 174.2° | 66.3° |
| C03 | N05 | C06 | H061 | 179.5° | 180.0° |
| N05 | C03 | N04 | H042 | 0.0° | 180.0° |
| N05 | C03 | N04 | H041 | 120.0° | 0.0° |
| C03 | N04 | H042 | H041 | 120.0° | 180.0° |
| C11 | C12 | C13 | H121 | 120.3° | 120.0° |
| C11 | C12 | C13 | H122 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 56.2° | 61.4° |
| C11 | C12 | C13 | H132 | 64.2° | 178.6° |
| C11 | C12 | C13 | H131 | 176.5° | 58.6° |
| C11 | C12 | H121 | H122 | 119.2° | 120.1° |
| C12 | C11 | H112 | H111 | 118.6° | 120.4° |
| C18 | C14 | C13 | C12 | 59.7° | 61.3° |
| C18 | C14 | C13 | C15 | 118.7° | 120.0° |
| C18 | C14 | C13 | H141 | 120.3° | 119.9° |
| C18 | C14 | C15 | H141 | 116.8° | 120.0° |
| C18 | C14 | C15 | N16 | 111.0° | 180.0° |
| C18 | C14 | C15 | O17 | 67.4° | 0.0° |
| C14 | C18 | H181 | H182 | 119.6° | 120.2° |
| C18 | C14 | C13 | H132 | 60.6° | 178.6° |
| C18 | C14 | C13 | H131 | 179.9° | 58.6° |
| C12 | C13 | C14 | H132 | 120.3° | 120.1° |
| C12 | C13 | C14 | H131 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 178.4° | 178.7° |
| C12 | C13 | C14 | H141 | 60.5° | 58.6° |
| C12 | C13 | H132 | H131 | 118.9° | 120.0° |
| C13 | C12 | H121 | H122 | 119.2° | 120.0° |
| C13 | C12 | C11 | H112 | 66.4° | 174.4° |
| C13 | C12 | C11 | H111 | 174.5° | 65.3° |
| C13 | C14 | C15 | H141 | 121.8° | 120.1° |
| C13 | C14 | C15 | N16 | 127.6° | 60.2° |
| C13 | C14 | C15 | O17 | 54.0° | 119.9° |
| C13 | C14 | C18 | H181 | 179.5° | 65.2° |
| C13 | C14 | C18 | H182 | 59.8° | 174.6° |
| C14 | C13 | H132 | H131 | 119.0° | 119.9° |
| C14 | C13 | C12 | H121 | 176.4° | 58.6° |
| C14 | C13 | C12 | H122 | 64.1° | 178.6° |
| C14 | C15 | N16 | O17 | 178.4° | 180.0° |
| C15 | C14 | C18 | H181 | 56.9° | 54.8° |
| C15 | C14 | C18 | H182 | 62.9° | 65.5° |
| C15 | C14 | C13 | H132 | 58.1° | 58.6° |
| C15 | C14 | C13 | H131 | 61.2° | 61.3° |
| C14 | C15 | N16 | H161 | 178.4° | 179.9° |
| C14 | C15 | N16 | H162 | 1.6° | 0.1° |
| N16 | C15 | C14 | H141 | 5.8° | 59.9° |
| C15 | N16 | H161 | H162 | 180.0° | 179.9° |
| O17 | C15 | C14 | H141 | 175.8° | 120.0° |
| O17 | C15 | N16 | H161 | 0.0° | 0.1° |
| O17 | C15 | N16 | H162 | 180.0° | 180.0° |
| H181 | C18 | C14 | H141 | 59.6° | 174.8° |
| H182 | C18 | C14 | H141 | 179.4° | 54.6° |
| H141 | C14 | C13 | H132 | 179.2° | 61.5° |
| H141 | C14 | C13 | H131 | 59.8° | 178.6° |
| H132 | C13 | C12 | H121 | 56.1° | 61.4° |
| H132 | C13 | C12 | H122 | 175.6° | 58.6° |
| H131 | C13 | C12 | H121 | 63.2° | 178.5° |
| H131 | C13 | C12 | H122 | 56.2° | 61.4° |
| H121 | C12 | C11 | H112 | 53.9° | 54.4° |
| H121 | C12 | C11 | H111 | 65.2° | 174.8° |
| H122 | C12 | C11 | H112 | 173.3° | 65.7° |
| H122 | C12 | C11 | H111 | 54.2° | 54.7° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
