RZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | S | sing | 1.76Å | 1.72Å | |
| N3S | S | sing | 1.66Å | 1.62Å | |
| O1S | S | doub | 1.42Å | 1.47Å | |
| S | O2S | doub | 1.42Å | 1.45Å | |
| C1' | N' | sing | 1.47Å | 1.45Å | |
| N' | C7 | sing | 1.35Å | 1.33Å | |
| N' | HN' | sing | 0.97Å | 1.00Å | |
| O' | C7 | doub | 1.22Å | 1.26Å | |
| C7 | C1 | sing | 1.48Å | 1.50Å | |
| 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 | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2' | F2'1 | sing | 1.40Å | 1.30Å | |
| F3'1 | C3' | sing | 1.40Å | 1.36Å | |
| C4' | F4'1 | sing | 1.40Å | 1.41Å | |
| C5' | F5'1 | sing | 1.40Å | 1.38Å | |
| C2' | F2'2 | sing | 1.40Å | 1.32Å | |
| F3'2 | C3' | sing | 1.40Å | 1.31Å | |
| C4' | F4'2 | sing | 1.40Å | 1.34Å | |
| C5' | F5'2 | sing | 1.40Å | 1.34Å | |
| F5'3 | C5' | sing | 1.40Å | 1.36Å | |
| 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 | 1.50Å | |
| C3' | C4' | sing | 1.53Å | 1.57Å | |
| N3S | HN3S | sing | 0.97Å | 1.00Å | |
| N3S | HN3A | sing | 0.97Å | 1.00Å | |
| C5' | C4' | sing | 1.53Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | S | N3S | 106.5° | 107.2° |
| C4 | S | O1S | 106.6° | 106.4° |
| C4 | S | O2S | 106.5° | 106.4° |
| S | C4 | C2 | 120.2° | 119.8° |
| S | C4 | C6 | 120.8° | 119.8° |
| N3S | S | O1S | 111.2° | 106.4° |
| N3S | S | O2S | 107.9° | 106.4° |
| S | N3S | HN3S | 109.5° | 120.1° |
| S | N3S | HN3A | 109.5° | 120.0° |
| O1S | S | O2S | 117.6° | 123.2° |
| C1' | N' | C7 | 122.4° | 120.0° |
| C1' | N' | HN' | 118.8° | 120.0° |
| N' | C1' | C2' | 107.8° | 109.5° |
| N' | C1' | H1' | 110.1° | 109.5° |
| N' | C1' | H1'A | 110.0° | 109.5° |
| C7 | N' | HN' | 118.8° | 120.0° |
| N' | C7 | O' | 120.4° | 120.0° |
| N' | C7 | C1 | 121.2° | 120.0° |
| O' | C7 | C1 | 118.4° | 120.0° |
| C7 | C1 | C5 | 119.9° | 120.1° |
| C7 | C1 | C3 | 119.4° | 120.1° |
| C5 | C1 | C3 | 120.8° | 119.8° |
| C1 | C5 | C6 | 119.3° | 119.8° |
| C1 | C5 | H5 | 120.3° | 120.1° |
| C1 | C3 | C2 | 121.4° | 119.8° |
| C1 | C3 | H3 | 119.3° | 120.1° |
| C3 | C2 | C4 | 118.5° | 120.1° |
| C3 | C2 | H2 | 120.8° | 120.0° |
| C2 | C3 | H3 | 119.3° | 120.1° |
| C4 | C2 | H2 | 120.8° | 119.9° |
| C2 | C4 | C6 | 119.0° | 120.3° |
| C4 | C6 | C5 | 121.0° | 120.2° |
| C4 | C6 | H6 | 119.5° | 119.9° |
| C6 | C5 | H5 | 120.3° | 120.1° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| F2'1 | C2' | F2'2 | 103.8° | 109.5° |
| F2'1 | C2' | C1' | 110.0° | 109.5° |
| F2'1 | C2' | C3' | 112.4° | 109.5° |
| F3'1 | C3' | F3'2 | 106.6° | 109.5° |
| F3'1 | C3' | C2' | 108.8° | 109.5° |
| F3'1 | C3' | C4' | 111.3° | 109.5° |
| F4'1 | C4' | F4'2 | 113.1° | 109.5° |
| F4'1 | C4' | C3' | 124.4° | 109.5° |
| F4'1 | C4' | C5' | 98.6° | 109.5° |
| F5'1 | C5' | F5'2 | 112.7° | 109.4° |
| F5'1 | C5' | F5'3 | 118.9° | 109.5° |
| F5'1 | C5' | C4' | 100.3° | 109.5° |
| F2'2 | C2' | C1' | 114.0° | 109.4° |
| F2'2 | C2' | C3' | 103.6° | 109.4° |
| F3'2 | C3' | C2' | 105.4° | 109.4° |
| F3'2 | C3' | C4' | 117.7° | 109.4° |
| F4'2 | C4' | C3' | 101.0° | 109.5° |
| F4'2 | C4' | C5' | 113.6° | 109.5° |
| F5'2 | C5' | F5'3 | 113.0° | 109.5° |
| F5'2 | C5' | C4' | 105.4° | 109.5° |
| F5'3 | C5' | C4' | 104.3° | 109.5° |
| C2' | C1' | H1' | 110.0° | 109.5° |
| C2' | C1' | H1'A | 110.0° | 109.5° |
| C1' | C2' | C3' | 112.7° | 109.5° |
| H1' | C1' | H1'A | 108.9° | 109.5° |
| C2' | C3' | C4' | 106.7° | 109.5° |
| C3' | C4' | C5' | 106.3° | 109.4° |
| HN3S | N3S | HN3A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | S | N3S | O1S | 115.8° | 113.5° |
| C4 | S | N3S | O2S | 114.0° | 113.5° |
| C4 | S | O1S | O2S | 119.3° | 123.0° |
| S | C4 | C2 | C3 | 179.0° | 180.0° |
| S | C4 | C2 | C6 | 178.7° | 179.9° |
| S | C4 | C2 | H2 | 1.0° | 0.0° |
| S | C4 | C6 | C5 | 179.5° | 180.0° |
| S | C4 | C6 | H6 | 0.5° | 0.1° |
| C4 | S | N3S | HN3S | 180.0° | 120.0° |
| C4 | S | N3S | HN3A | 60.0° | 60.0° |
| N3S | S | O1S | O2S | 125.0° | 123.0° |
| N3S | S | C4 | C2 | 50.2° | 90.0° |
| N3S | S | C4 | C6 | 131.1° | 90.1° |
| S | N3S | HN3S | HN3A | 120.0° | 180.0° |
| O1S | S | C4 | C2 | 169.0° | 156.5° |
| O1S | S | C4 | C6 | 12.3° | 23.5° |
| O1S | S | N3S | HN3S | 64.2° | 126.5° |
| O1S | S | N3S | HN3A | 55.8° | 53.5° |
| O2S | S | C4 | C2 | 64.7° | 23.5° |
| O2S | S | C4 | C6 | 114.0° | 156.4° |
| O2S | S | N3S | HN3S | 66.0° | 6.5° |
| O2S | S | N3S | HN3A | 174.0° | 173.5° |
| C1' | N' | C7 | HN' | 180.0° | 180.0° |
| C1' | N' | C7 | O' | 3.5° | 0.0° |
| C1' | N' | C7 | C1 | 178.2° | 180.0° |
| N' | C1' | C2' | F2'1 | 62.1° | 60.0° |
| N' | C1' | C2' | F2'2 | 54.0° | 60.1° |
| N' | C1' | C2' | H1' | 120.0° | 120.0° |
| N' | C1' | C2' | H1'A | 120.0° | 120.0° |
| N' | C1' | H1' | H1'A | 120.7° | 120.0° |
| N' | C1' | C2' | C3' | 171.7° | 180.0° |
| N' | C7 | O' | C1 | 178.4° | 180.0° |
| N' | C7 | C1 | C5 | 176.2° | 180.0° |
| N' | C7 | C1 | C3 | 2.3° | 0.3° |
| C7 | N' | C1' | C2' | 92.5° | 180.0° |
| C7 | N' | C1' | H1' | 147.5° | 60.0° |
| C7 | N' | C1' | H1'A | 27.4° | 60.0° |
| HN' | N' | C7 | O' | 176.5° | 180.0° |
| HN' | N' | C7 | C1 | 1.8° | 0.0° |
| HN' | N' | C1' | C2' | 87.4° | 0.0° |
| HN' | N' | C1' | H1' | 32.6° | 120.0° |
| HN' | N' | C1' | H1'A | 152.6° | 120.0° |
| O' | C7 | C1 | C5 | 5.5° | 0.0° |
| O' | C7 | C1 | C3 | 176.0° | 179.7° |
| C7 | C1 | C5 | C3 | 178.5° | 179.7° |
| C7 | C1 | C3 | C2 | 179.3° | 179.7° |
| C7 | C1 | C3 | H3 | 0.6° | 0.3° |
| C7 | C1 | C5 | C6 | 178.8° | 179.7° |
| C7 | C1 | C5 | H5 | 1.2° | 0.3° |
| C5 | C1 | C3 | C2 | 0.9° | 0.0° |
| C5 | C1 | C3 | H3 | 179.1° | 180.0° |
| C1 | C5 | C6 | C4 | 0.9° | 0.1° |
| C1 | C5 | C6 | H5 | 180.0° | 180.0° |
| C1 | C5 | C6 | H6 | 179.1° | 180.0° |
| C1 | C3 | C2 | H3 | 180.0° | 180.0° |
| C1 | C3 | C2 | C4 | 1.8° | 0.0° |
| C1 | C3 | C2 | H2 | 178.2° | 180.0° |
| C3 | C1 | C5 | C6 | 0.4° | 0.1° |
| C3 | C1 | C5 | H5 | 179.6° | 180.0° |
| C3 | C2 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C4 | C6 | 2.3° | 0.1° |
| C4 | C2 | C3 | H3 | 178.1° | 180.0° |
| C2 | C4 | C6 | C5 | 1.8° | 0.1° |
| C2 | C4 | C6 | H6 | 178.2° | 180.0° |
| H2 | C2 | C3 | H3 | 1.8° | 0.0° |
| H2 | C2 | C4 | C6 | 177.8° | 179.9° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | H5 | 179.1° | 179.9° |
| H5 | C5 | C6 | H6 | 0.9° | 0.0° |
| F2'1 | C2' | C3' | F3'1 | 178.8° | 180.0° |
| F2'1 | C2' | F2'2 | C1' | 119.7° | 120.0° |
| F2'1 | C2' | F2'2 | C3' | 117.5° | 120.0° |
| F2'1 | C2' | C3' | F3'2 | 67.2° | 60.0° |
| F2'1 | C2' | C1' | C3' | 126.2° | 120.0° |
| F2'1 | C2' | C1' | H1' | 57.9° | 180.0° |
| F2'1 | C2' | C1' | H1'A | 177.9° | 60.0° |
| F2'1 | C2' | C3' | C4' | 58.6° | 60.0° |
| F3'1 | C3' | C4' | F4'1 | 146.3° | 180.0° |
| F3'1 | C3' | C2' | F2'2 | 67.4° | 60.0° |
| F3'1 | C3' | F3'2 | C2' | 115.5° | 120.0° |
| F3'1 | C3' | F3'2 | C4' | 125.8° | 120.0° |
| F3'1 | C3' | C4' | F4'2 | 18.0° | 60.0° |
| F3'1 | C3' | C2' | C1' | 56.2° | 59.9° |
| F3'1 | C3' | C2' | C4' | 120.2° | 120.1° |
| F3'1 | C3' | C4' | C5' | 100.8° | 60.0° |
| F4'1 | C4' | C5' | F5'1 | 56.0° | 180.0° |
| F4'1 | C4' | C3' | F3'2 | 90.3° | 60.0° |
| F4'1 | C4' | F4'2 | C3' | 135.2° | 120.0° |
| F4'1 | C4' | F4'2 | C5' | 111.4° | 120.0° |
| F4'1 | C4' | C5' | F5'2 | 61.1° | 60.0° |
| F4'1 | C4' | C5' | F5'3 | 179.6° | 60.0° |
| F4'1 | C4' | C3' | C2' | 27.7° | 60.0° |
| F4'1 | C4' | C3' | C5' | 112.9° | 120.0° |
| F5'1 | C5' | C4' | F4'2 | 176.0° | 59.9° |
| F5'1 | C5' | F5'2 | F5'3 | 138.3° | 120.0° |
| F5'1 | C5' | F5'2 | C4' | 108.4° | 120.0° |
| F5'1 | C5' | F5'3 | C4' | 110.6° | 120.1° |
| F5'1 | C5' | C4' | C3' | 73.8° | 60.0° |
| F2'2 | C2' | C3' | F3'2 | 178.6° | 180.0° |
| F2'2 | C2' | C1' | C3' | 117.7° | 119.9° |
| F2'2 | C2' | C1' | H1' | 174.0° | 60.0° |
| F2'2 | C2' | C1' | H1'A | 66.0° | 180.0° |
| F2'2 | C2' | C3' | C4' | 52.8° | 60.0° |
| F3'2 | C3' | C4' | F4'2 | 141.4° | 180.0° |
| F3'2 | C3' | C2' | C1' | 57.7° | 60.0° |
| F3'2 | C3' | C2' | C4' | 125.8° | 120.0° |
| F3'2 | C3' | C4' | C5' | 22.6° | 60.0° |
| F4'2 | C4' | C5' | F5'2 | 58.9° | 60.0° |
| F4'2 | C4' | C5' | F5'3 | 60.4° | 180.0° |
| F4'2 | C4' | C3' | C2' | 100.6° | 60.0° |
| F4'2 | C4' | C3' | C5' | 118.8° | 120.0° |
| F5'2 | C5' | F5'3 | C4' | 114.0° | 120.0° |
| F5'2 | C5' | C4' | C3' | 169.1° | 180.0° |
| F5'3 | C5' | C4' | C3' | 49.8° | 60.0° |
| C2' | C1' | H1' | H1'A | 120.7° | 120.0° |
| C1' | C2' | C3' | C4' | 176.4° | 180.0° |
| H1' | C1' | C2' | C3' | 68.3° | 60.0° |
| H1'A | C1' | C2' | C3' | 51.7° | 60.0° |
| C2' | C3' | C4' | C5' | 140.6° | 180.0° |
