RYX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | S | sing | 1.76Å | 1.68Å | |
| N3S | S | sing | 1.66Å | 1.59Å | |
| O1S | S | doub | 1.42Å | 1.46Å | |
| S | O2S | doub | 1.42Å | 1.43Å | |
| C1' | N' | sing | 1.46Å | 1.44Å | |
| N' | C7 | sing | 1.35Å | 1.34Å | |
| N' | HN' | sing | 0.97Å | 1.00Å | |
| O' | C7 | doub | 1.22Å | 1.22Å | |
| C7 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| F2'1 | C2' | sing | 1.40Å | 1.33Å | |
| F3'1 | C3' | sing | 1.40Å | 1.35Å | |
| C2' | F2'2 | sing | 1.40Å | 1.35Å | |
| C3' | F3'2 | sing | 1.40Å | 1.34Å | |
| C3' | F3'3 | sing | 1.40Å | 1.34Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.53Å | 1.49Å | |
| N3S | HN3S | sing | 0.97Å | 1.00Å | |
| N3S | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | S | N3S | 106.1° | 107.2° |
| C4 | S | O1S | 104.4° | 106.4° |
| C4 | S | O2S | 106.3° | 106.3° |
| S | C4 | C2 | 121.5° | 119.9° |
| S | C4 | C6 | 122.5° | 119.8° |
| N3S | S | O1S | 114.0° | 106.4° |
| N3S | S | O2S | 109.4° | 106.4° |
| S | N3S | HN3S | 109.5° | 119.9° |
| S | N3S | HN3A | 109.5° | 120.0° |
| O1S | S | O2S | 115.8° | 123.2° |
| C1' | N' | C7 | 119.7° | 120.0° |
| C1' | N' | HN' | 120.1° | 120.0° |
| N' | C1' | C2' | 101.8° | 109.5° |
| N' | C1' | H1' | 112.1° | 109.5° |
| N' | C1' | H1'A | 112.1° | 109.4° |
| C7 | N' | HN' | 120.2° | 120.0° |
| N' | C7 | O' | 120.2° | 120.0° |
| N' | C7 | C1 | 121.2° | 120.0° |
| O' | C7 | C1 | 118.6° | 120.0° |
| C7 | C1 | C5 | 120.6° | 120.1° |
| C7 | C1 | C3 | 119.6° | 120.2° |
| C5 | C1 | C3 | 119.7° | 119.7° |
| C1 | C5 | C6 | 115.9° | 119.9° |
| C1 | C5 | H5 | 122.1° | 120.1° |
| C1 | C3 | C2 | 123.7° | 119.8° |
| C1 | C3 | H3 | 118.1° | 120.1° |
| C3 | C2 | C4 | 118.4° | 120.2° |
| C3 | C2 | H2 | 120.8° | 119.9° |
| C2 | C3 | H3 | 118.2° | 120.1° |
| C4 | C2 | H2 | 120.8° | 119.9° |
| C2 | C4 | C6 | 116.0° | 120.3° |
| C4 | C6 | C5 | 125.9° | 120.1° |
| C4 | C6 | H6 | 117.0° | 119.9° |
| C6 | C5 | H5 | 122.0° | 120.0° |
| C5 | C6 | H6 | 117.1° | 120.0° |
| F2'1 | C2' | F2'2 | 117.3° | 109.4° |
| F2'1 | C2' | C1' | 95.5° | 109.5° |
| F2'1 | C2' | C3' | 121.7° | 109.4° |
| F3'1 | C3' | F3'2 | 112.3° | 109.5° |
| F3'1 | C3' | F3'3 | 122.0° | 109.4° |
| F3'1 | C3' | C2' | 105.8° | 109.5° |
| F2'2 | C2' | C1' | 118.0° | 109.5° |
| F2'2 | C2' | C3' | 96.3° | 109.5° |
| F3'2 | C3' | F3'3 | 106.1° | 109.5° |
| F3'2 | C3' | C2' | 115.2° | 109.5° |
| F3'3 | C3' | C2' | 94.6° | 109.5° |
| C2' | C1' | H1' | 112.1° | 109.5° |
| C2' | C1' | H1'A | 112.1° | 109.5° |
| C1' | C2' | C3' | 109.4° | 109.5° |
| H1' | C1' | H1'A | 106.7° | 109.5° |
| HN3S | N3S | HN3A | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | S | N3S | O1S | 114.3° | 113.6° |
| C4 | S | N3S | O2S | 114.2° | 113.5° |
| C4 | S | O1S | O2S | 116.4° | 122.9° |
| S | C4 | C2 | C3 | 177.8° | 180.0° |
| S | C4 | C2 | C6 | 179.9° | 180.0° |
| S | C4 | C2 | H2 | 2.2° | 0.0° |
| S | C4 | C6 | C5 | 176.6° | 180.0° |
| S | C4 | C6 | H6 | 3.4° | 0.1° |
| C4 | S | N3S | HN3S | 180.0° | 0.0° |
| C4 | S | N3S | HN3A | 60.0° | 180.0° |
| N3S | S | O1S | O2S | 128.3° | 123.0° |
| N3S | S | C4 | C2 | 48.7° | 90.0° |
| N3S | S | C4 | C6 | 131.3° | 90.0° |
| S | N3S | HN3S | HN3A | 120.0° | 179.9° |
| O1S | S | C4 | C2 | 169.4° | 156.5° |
| O1S | S | C4 | C6 | 10.5° | 23.5° |
| O1S | S | N3S | HN3S | 65.7° | 113.5° |
| O1S | S | N3S | HN3A | 54.3° | 66.4° |
| O2S | S | C4 | C2 | 67.7° | 23.6° |
| O2S | S | C4 | C6 | 112.4° | 156.5° |
| O2S | S | N3S | HN3S | 65.8° | 113.5° |
| O2S | S | N3S | HN3A | 174.2° | 66.5° |
| C1' | N' | C7 | HN' | 180.0° | 180.0° |
| C1' | N' | C7 | O' | 0.7° | 0.0° |
| C1' | N' | C7 | C1 | 178.4° | 180.0° |
| N' | C1' | C2' | F2'1 | 92.1° | 60.0° |
| N' | C1' | C2' | F2'2 | 32.9° | 60.0° |
| N' | C1' | C2' | H1' | 120.0° | 120.0° |
| N' | C1' | C2' | H1'A | 120.0° | 120.0° |
| N' | C1' | H1' | H1'A | 123.1° | 120.0° |
| N' | C1' | C2' | C3' | 141.5° | 180.0° |
| N' | C7 | O' | C1 | 177.8° | 180.0° |
| N' | C7 | C1 | C5 | 174.3° | 180.0° |
| N' | C7 | C1 | C3 | 3.0° | 0.3° |
| C7 | N' | C1' | C2' | 114.4° | 180.0° |
| C7 | N' | C1' | H1' | 125.6° | 60.0° |
| C7 | N' | C1' | H1'A | 5.6° | 60.0° |
| HN' | N' | C7 | O' | 179.3° | 180.0° |
| HN' | N' | C7 | C1 | 1.6° | 0.1° |
| HN' | N' | C1' | C2' | 65.6° | 0.0° |
| HN' | N' | C1' | H1' | 54.4° | 120.0° |
| HN' | N' | C1' | H1'A | 174.4° | 120.0° |
| O' | C7 | C1 | C5 | 3.5° | 0.0° |
| O' | C7 | C1 | C3 | 179.2° | 179.7° |
| C7 | C1 | C5 | C3 | 177.3° | 179.7° |
| C7 | C1 | C3 | C2 | 178.3° | 179.7° |
| C7 | C1 | C3 | H3 | 1.7° | 0.4° |
| C7 | C1 | C5 | C6 | 176.2° | 179.7° |
| C7 | C1 | C5 | H5 | 3.8° | 0.3° |
| C5 | C1 | C3 | C2 | 4.4° | 0.0° |
| C5 | C1 | C3 | H3 | 175.6° | 179.9° |
| C1 | C5 | C6 | C4 | 5.1° | 0.0° |
| C1 | C5 | C6 | H5 | 180.0° | 180.0° |
| C1 | C5 | C6 | H6 | 174.9° | 180.0° |
| C1 | C3 | C2 | H3 | 180.0° | 179.9° |
| C1 | C3 | C2 | C4 | 6.1° | 0.0° |
| C1 | C3 | C2 | H2 | 173.9° | 180.0° |
| C3 | C1 | C5 | C6 | 1.1° | 0.0° |
| C3 | C1 | C5 | H5 | 178.9° | 180.0° |
| C3 | C2 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C4 | C6 | 2.1° | 0.0° |
| C4 | C2 | C3 | H3 | 173.9° | 179.9° |
| C2 | C4 | C6 | C5 | 3.5° | 0.0° |
| C2 | C4 | C6 | H6 | 176.6° | 180.0° |
| H2 | C2 | C3 | H3 | 6.1° | 0.1° |
| H2 | C2 | C4 | C6 | 177.8° | 180.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | H5 | 174.9° | 180.0° |
| H5 | C5 | C6 | H6 | 5.1° | 0.1° |
| F2'1 | C2' | C3' | F3'1 | 51.5° | 60.0° |
| F2'1 | C2' | F2'2 | C1' | 113.3° | 120.0° |
| F2'1 | C2' | F2'2 | C3' | 130.7° | 120.0° |
| F2'1 | C2' | C3' | F3'2 | 73.2° | 60.0° |
| F2'1 | C2' | C3' | F3'3 | 176.6° | 180.0° |
| F2'1 | C2' | C1' | C3' | 126.4° | 120.0° |
| F2'1 | C2' | C1' | H1' | 27.9° | 180.0° |
| F2'1 | C2' | C1' | H1'A | 147.9° | 60.0° |
| F3'1 | C3' | C2' | F2'2 | 179.1° | 60.0° |
| F3'1 | C3' | F3'2 | F3'3 | 135.6° | 120.0° |
| F3'1 | C3' | F3'2 | C2' | 121.2° | 120.0° |
| F3'1 | C3' | F3'3 | C2' | 111.8° | 120.0° |
| F3'1 | C3' | C2' | C1' | 58.2° | 180.0° |
| F2'2 | C2' | C3' | F3'2 | 54.4° | 180.0° |
| F2'2 | C2' | C3' | F3'3 | 55.8° | 60.0° |
| F2'2 | C2' | C1' | C3' | 108.6° | 120.1° |
| F2'2 | C2' | C1' | H1' | 152.9° | 60.0° |
| F2'2 | C2' | C1' | H1'A | 87.1° | 180.0° |
| F3'2 | C3' | F3'3 | C2' | 117.9° | 120.0° |
| F3'2 | C3' | C2' | C1' | 177.1° | 60.0° |
| F3'3 | C3' | C2' | C1' | 66.9° | 60.0° |
| C2' | C1' | H1' | H1'A | 123.1° | 120.0° |
| H1' | C1' | C2' | C3' | 98.5° | 60.0° |
| H1'A | C1' | C2' | C3' | 21.5° | 60.0° |
