RZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | S | sing | 1.76Å | 1.69Å | |
| N3S | S | sing | 1.66Å | 1.60Å | |
| O1S | S | doub | 1.42Å | 1.43Å | |
| S | O2S | doub | 1.42Å | 1.43Å | |
| C1' | N' | sing | 1.47Å | 1.48Å | |
| N' | C7 | sing | 1.35Å | 1.32Å | |
| N' | HN' | sing | 0.97Å | 1.00Å | |
| O' | C7 | doub | 1.22Å | 1.25Å | |
| C7 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| N3S | HN3S | sing | 0.97Å | 1.00Å | |
| N3S | HN3A | sing | 0.97Å | 1.00Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| C6' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| C6' | H6'B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | S | N3S | 105.9° | 107.2° |
| C4 | S | O1S | 106.3° | 106.4° |
| C4 | S | O2S | 105.2° | 106.4° |
| S | C4 | C2 | 121.8° | 119.8° |
| S | C4 | C6 | 122.6° | 119.8° |
| N3S | S | O1S | 112.1° | 106.4° |
| N3S | S | O2S | 107.4° | 106.4° |
| S | N3S | HN3S | 109.5° | 120.0° |
| S | N3S | HN3A | 109.5° | 120.0° |
| O1S | S | O2S | 119.0° | 123.2° |
| C1' | N' | C7 | 120.1° | 120.0° |
| C1' | N' | HN' | 119.9° | 120.0° |
| N' | C1' | C2' | 102.5° | 109.5° |
| N' | C1' | H1' | 111.9° | 109.5° |
| N' | C1' | H1'A | 111.9° | 109.5° |
| C7 | N' | HN' | 120.0° | 120.0° |
| N' | C7 | O' | 121.0° | 120.0° |
| N' | C7 | C1 | 118.0° | 120.0° |
| O' | C7 | C1 | 121.0° | 120.0° |
| C7 | C1 | C3 | 121.1° | 120.1° |
| C7 | C1 | C5 | 118.6° | 120.2° |
| C3 | C1 | C5 | 119.9° | 119.8° |
| C1 | C3 | C2 | 120.0° | 119.8° |
| C1 | C3 | H3 | 120.0° | 120.1° |
| C1 | C5 | C6 | 118.5° | 119.8° |
| C1 | C5 | H5 | 120.8° | 120.1° |
| C3 | C2 | C4 | 122.1° | 120.2° |
| C3 | C2 | H2 | 118.9° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C4 | C2 | H2 | 119.0° | 119.9° |
| C2 | C4 | C6 | 115.5° | 120.3° |
| C4 | C6 | C5 | 123.5° | 120.1° |
| C4 | C6 | H6 | 118.3° | 119.9° |
| C6 | C5 | H5 | 120.8° | 120.1° |
| C5 | C6 | H6 | 118.2° | 120.0° |
| C2' | C1' | H1' | 111.8° | 109.5° |
| C2' | C1' | H1'A | 111.9° | 109.5° |
| C1' | C2' | C3' | 107.7° | 109.5° |
| C1' | C2' | H2' | 110.1° | 109.5° |
| C1' | C2' | H2'A | 110.1° | 109.5° |
| H1' | C1' | H1'A | 107.0° | 109.4° |
| C3' | C2' | H2' | 110.1° | 109.4° |
| C3' | C2' | H2'A | 110.1° | 109.5° |
| C2' | C3' | C4' | 102.7° | 109.5° |
| C2' | C3' | H3' | 111.8° | 109.5° |
| C2' | C3' | H3'A | 111.8° | 109.5° |
| H2' | C2' | H2'A | 108.8° | 109.5° |
| C4' | C3' | H3' | 111.8° | 109.5° |
| C4' | C3' | H3'A | 111.8° | 109.4° |
| C3' | C4' | C5' | 111.0° | 109.5° |
| C3' | C4' | H4' | 109.0° | 109.5° |
| C3' | C4' | H4'A | 109.0° | 109.5° |
| H3' | C3' | H3'A | 107.1° | 109.5° |
| HN3S | N3S | HN3A | 109.5° | 120.0° |
| C5' | C4' | H4' | 109.0° | 109.5° |
| C5' | C4' | H4'A | 109.0° | 109.5° |
| C4' | C5' | C6' | 112.1° | 109.5° |
| C4' | C5' | H5' | 108.6° | 109.5° |
| C4' | C5' | H5'A | 108.6° | 109.5° |
| H4' | C4' | H4'A | 110.0° | 109.4° |
| C6' | C5' | H5' | 108.6° | 109.4° |
| C6' | C5' | H5'A | 108.6° | 109.5° |
| C5' | C6' | H6' | 109.5° | 109.4° |
| C5' | C6' | H6'A | 109.5° | 109.4° |
| C5' | C6' | H6'B | 109.5° | 109.4° |
| H5' | C5' | H5'A | 110.4° | 109.5° |
| H6' | C6' | H6'A | 109.5° | 109.4° |
| H6' | C6' | H6'B | 109.5° | 109.6° |
| H6'A | C6' | H6'B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | S | N3S | O1S | 115.4° | 113.6° |
| C4 | S | N3S | O2S | 112.0° | 113.5° |
| C4 | S | O1S | O2S | 118.3° | 122.9° |
| S | C4 | C2 | C3 | 176.8° | 180.0° |
| S | C4 | C2 | C6 | 176.5° | 180.0° |
| S | C4 | C2 | H2 | 3.2° | 0.1° |
| S | C4 | C6 | C5 | 174.8° | 180.0° |
| S | C4 | C6 | H6 | 5.2° | 0.1° |
| C4 | S | N3S | HN3S | 180.0° | 0.0° |
| C4 | S | N3S | HN3A | 60.0° | 180.0° |
| N3S | S | O1S | O2S | 126.5° | 123.0° |
| N3S | S | C4 | C2 | 128.5° | 90.0° |
| N3S | S | C4 | C6 | 47.7° | 90.0° |
| S | N3S | HN3S | HN3A | 120.0° | 180.0° |
| O1S | S | C4 | C2 | 9.2° | 156.4° |
| O1S | S | C4 | C6 | 167.1° | 23.6° |
| O1S | S | N3S | HN3S | 64.6° | 113.5° |
| O1S | S | N3S | HN3A | 55.4° | 66.5° |
| O2S | S | C4 | C2 | 117.9° | 23.5° |
| O2S | S | C4 | C6 | 65.9° | 156.5° |
| O2S | S | N3S | HN3S | 68.0° | 113.5° |
| O2S | S | N3S | HN3A | 172.0° | 66.5° |
| C1' | N' | C7 | HN' | 180.0° | 180.0° |
| C1' | N' | C7 | O' | 3.6° | 0.0° |
| C1' | N' | C7 | C1 | 176.0° | 180.0° |
| N' | C1' | C2' | H1' | 120.0° | 120.0° |
| N' | C1' | C2' | H1'A | 120.0° | 120.0° |
| N' | C1' | H1' | H1'A | 122.8° | 120.0° |
| N' | C1' | C2' | C3' | 91.4° | 180.0° |
| N' | C1' | C2' | H2' | 28.6° | 60.0° |
| N' | C1' | C2' | H2'A | 148.6° | 60.0° |
| N' | C7 | O' | C1 | 179.6° | 179.9° |
| N' | C7 | C1 | C3 | 165.9° | 180.0° |
| N' | C7 | C1 | C5 | 7.0° | 0.3° |
| C7 | N' | C1' | C2' | 121.5° | 179.9° |
| C7 | N' | C1' | H1' | 118.5° | 59.9° |
| C7 | N' | C1' | H1'A | 1.5° | 60.0° |
| HN' | N' | C7 | O' | 176.4° | 180.0° |
| HN' | N' | C7 | C1 | 4.0° | 0.1° |
| HN' | N' | C1' | C2' | 58.5° | 0.0° |
| HN' | N' | C1' | H1' | 61.4° | 120.0° |
| HN' | N' | C1' | H1'A | 178.6° | 120.0° |
| O' | C7 | C1 | C3 | 13.7° | 0.1° |
| O' | C7 | C1 | C5 | 173.4° | 179.8° |
| C7 | C1 | C3 | C5 | 172.7° | 179.7° |
| C7 | C1 | C3 | C2 | 179.2° | 179.7° |
| C7 | C1 | C3 | H3 | 0.8° | 0.2° |
| C7 | C1 | C5 | C6 | 178.9° | 179.7° |
| C7 | C1 | C5 | H5 | 1.1° | 0.3° |
| C1 | C3 | C2 | H3 | 180.0° | 179.9° |
| C1 | C3 | C2 | C4 | 2.2° | 0.0° |
| C1 | C3 | C2 | H2 | 177.8° | 180.0° |
| C3 | C1 | C5 | C6 | 8.2° | 0.0° |
| C3 | C1 | C5 | H5 | 171.8° | 180.0° |
| C5 | C1 | C3 | C2 | 6.5° | 0.0° |
| C5 | C1 | C3 | H3 | 173.5° | 179.9° |
| C1 | C5 | C6 | C4 | 5.9° | 0.0° |
| C1 | C5 | C6 | H5 | 180.0° | 179.9° |
| C1 | C5 | C6 | H6 | 174.1° | 179.9° |
| C3 | C2 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C4 | C6 | 0.3° | 0.0° |
| C4 | C2 | C3 | H3 | 177.8° | 179.9° |
| C2 | C4 | C6 | C5 | 1.6° | 0.0° |
| C2 | C4 | C6 | H6 | 178.3° | 179.9° |
| H2 | C2 | C3 | H3 | 2.2° | 0.0° |
| H2 | C2 | C4 | C6 | 179.7° | 180.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | H5 | 174.1° | 180.0° |
| H5 | C5 | C6 | H6 | 5.9° | 0.1° |
| C2' | C1' | H1' | H1'A | 122.8° | 120.0° |
| C1' | C2' | C3' | H2' | 120.0° | 120.0° |
| C1' | C2' | C3' | H2'A | 120.0° | 120.1° |
| C1' | C2' | H2' | H2'A | 120.7° | 120.1° |
| C1' | C2' | C3' | C4' | 87.0° | 180.0° |
| C1' | C2' | C3' | H3' | 33.0° | 60.0° |
| C1' | C2' | C3' | H3'A | 153.0° | 60.0° |
| H1' | C1' | C2' | C3' | 148.6° | 60.0° |
| H1' | C1' | C2' | H2' | 91.3° | 180.0° |
| H1' | C1' | C2' | H2'A | 28.6° | 60.0° |
| H1'A | C1' | C2' | C3' | 28.6° | 60.0° |
| H1'A | C1' | C2' | H2' | 148.6° | 60.0° |
| H1'A | C1' | C2' | H2'A | 91.4° | 180.0° |
| C3' | C2' | H2' | H2'A | 120.7° | 120.0° |
| C2' | C3' | C4' | H3' | 120.0° | 120.0° |
| C2' | C3' | C4' | H3'A | 120.0° | 120.0° |
| C2' | C3' | H3' | H3'A | 122.8° | 120.0° |
| C2' | C3' | C4' | C5' | 176.2° | 180.0° |
| C2' | C3' | C4' | H4' | 56.2° | 60.0° |
| C2' | C3' | C4' | H4'A | 63.8° | 60.0° |
| H2' | C2' | C3' | C4' | 152.9° | 60.0° |
| H2' | C2' | C3' | H3' | 87.1° | 180.0° |
| H2' | C2' | C3' | H3'A | 32.9° | 60.0° |
| H2'A | C2' | C3' | C4' | 33.0° | 60.0° |
| H2'A | C2' | C3' | H3' | 153.0° | 60.0° |
| H2'A | C2' | C3' | H3'A | 87.0° | 180.0° |
| C4' | C3' | H3' | H3'A | 122.7° | 119.9° |
| C3' | C4' | C5' | H4' | 120.0° | 120.0° |
| C3' | C4' | C5' | H4'A | 120.0° | 120.0° |
| C3' | C4' | H4' | H4'A | 119.4° | 120.0° |
| C3' | C4' | C5' | C6' | 157.1° | 180.0° |
| C3' | C4' | C5' | H5' | 37.1° | 60.0° |
| C3' | C4' | C5' | H5'A | 83.0° | 60.0° |
| H3' | C3' | C4' | C5' | 63.8° | 60.0° |
| H3' | C3' | C4' | H4' | 176.2° | 180.0° |
| H3' | C3' | C4' | H4'A | 56.2° | 60.0° |
| H3'A | C3' | C4' | C5' | 56.2° | 60.0° |
| H3'A | C3' | C4' | H4' | 63.8° | 60.1° |
| H3'A | C3' | C4' | H4'A | 176.2° | 180.0° |
| C5' | C4' | H4' | H4'A | 119.4° | 120.0° |
| C4' | C5' | C6' | H5' | 120.0° | 120.0° |
| C4' | C5' | C6' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 118.9° | 120.0° |
| C4' | C5' | C6' | H6' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6'A | 60.0° | 60.1° |
| C4' | C5' | C6' | H6'B | 60.0° | 60.0° |
| H4' | C4' | C5' | C6' | 83.0° | 60.0° |
| H4' | C4' | C5' | H5' | 157.1° | 180.0° |
| H4' | C4' | C5' | H5'A | 37.0° | 60.1° |
| H4'A | C4' | C5' | C6' | 37.0° | 59.9° |
| H4'A | C4' | C5' | H5' | 82.9° | 60.0° |
| H4'A | C4' | C5' | H5'A | 157.0° | 180.0° |
| C6' | C5' | H5' | H5'A | 118.9° | 120.0° |
| C5' | C6' | H6' | H6'A | 120.0° | 119.9° |
| C5' | C6' | H6' | H6'B | 120.0° | 120.0° |
| C5' | C6' | H6'A | H6'B | 120.0° | 120.0° |
| H5' | C5' | C6' | H6' | 60.0° | 60.1° |
| H5' | C5' | C6' | H6'A | 180.0° | 180.0° |
| H5' | C5' | C6' | H6'B | 60.0° | 60.0° |
| H5'A | C5' | C6' | H6' | 60.0° | 59.9° |
| H5'A | C5' | C6' | H6'A | 60.0° | 60.0° |
| H5'A | C5' | C6' | H6'B | 180.0° | 180.0° |
| H6' | C6' | H6'A | H6'B | 120.0° | 120.1° |
