RV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.40Å | 1.37Å | |
| C | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| O | S | doub | 1.42Å | 1.43Å | |
| S | N1 | sing | 1.66Å | 1.64Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C3 | sing | 1.76Å | 1.76Å | |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C6 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.47Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| N | HNA | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 120.9° | 120.1° |
| N | C | C5 | 120.8° | 120.0° |
| C | N | HN | 109.5° | 119.9° |
| C | N | HNA | 109.5° | 120.0° |
| C1 | C | C5 | 118.4° | 119.9° |
| C | C1 | C2 | 121.0° | 119.9° |
| C | C1 | H1 | 119.5° | 120.0° |
| C | C5 | C4 | 121.0° | 119.9° |
| C | C5 | H5 | 119.5° | 120.1° |
| O | S | N1 | 109.5° | 106.4° |
| O | S | O1 | 120.1° | 123.1° |
| O | S | C3 | 108.3° | 106.4° |
| N1 | S | O1 | 102.6° | 106.4° |
| N1 | S | C3 | 107.7° | 107.2° |
| S | N1 | C6 | 124.9° | 120.0° |
| S | N1 | HN1 | 117.6° | 120.0° |
| O1 | S | C3 | 108.0° | 106.4° |
| S | C3 | C2 | 119.5° | 119.9° |
| S | C3 | C4 | 119.6° | 119.9° |
| C1 | C2 | C3 | 119.4° | 120.1° |
| C2 | C1 | H1 | 119.5° | 120.1° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| N1 | C6 | O2 | 124.0° | 120.0° |
| N1 | C6 | C7 | 113.5° | 120.0° |
| C6 | N1 | HN1 | 117.6° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C3 | C2 | H2 | 120.3° | 119.9° |
| O2 | C6 | C7 | 122.5° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.1° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C6 | C7 | C8 | 118.8° | 117.5° |
| C6 | C7 | C9 | 116.8° | 117.5° |
| C6 | C7 | H7 | 116.5° | 115.5° |
| C8 | C7 | C9 | 58.8° | 60.0° |
| C7 | C8 | C9 | 60.3° | 60.0° |
| C8 | C7 | H7 | 116.7° | 117.5° |
| C7 | C8 | H8 | 120.0° | 117.5° |
| C7 | C8 | H8A | 119.9° | 117.5° |
| C7 | C9 | C8 | 60.8° | 60.0° |
| C9 | C7 | H7 | 116.8° | 117.5° |
| C7 | C9 | H9 | 119.8° | 117.5° |
| C7 | C9 | H9A | 119.8° | 117.5° |
| C9 | C8 | H8 | 120.0° | 117.6° |
| C9 | C8 | H8A | 119.9° | 117.5° |
| C8 | C9 | H9 | 119.9° | 117.6° |
| C8 | C9 | H9A | 119.9° | 117.5° |
| HN | N | HNA | 109.5° | 120.1° |
| H8 | C8 | H8A | 109.4° | 115.5° |
| H9 | C9 | H9A | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | C5 | 179.8° | 179.7° |
| N | C | C1 | C2 | 179.7° | 180.0° |
| N | C | C5 | C4 | 179.7° | 179.7° |
| C | N | HN | HNA | 120.0° | 180.0° |
| N | C | C1 | H1 | 0.3° | 0.1° |
| N | C | C5 | H5 | 0.3° | 0.0° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 1.7° | 0.0° |
| C1 | C | C5 | C4 | 0.5° | 0.5° |
| C1 | C | N | HN | 180.0° | 0.0° |
| C1 | C | N | HNA | 60.0° | 180.0° |
| C | C1 | C2 | H2 | 178.3° | 180.0° |
| C1 | C | C5 | H5 | 179.5° | 179.8° |
| C5 | C | C1 | C2 | 0.5° | 0.3° |
| C | C5 | C4 | C3 | 1.7° | 0.6° |
| C | C5 | C4 | H5 | 180.0° | 179.7° |
| C5 | C | N | HN | 0.2° | 179.7° |
| C5 | C | N | HNA | 120.2° | 0.3° |
| C5 | C | C1 | H1 | 179.5° | 179.8° |
| C | C5 | C4 | H4 | 178.3° | 179.7° |
| O | S | N1 | O1 | 128.7° | 132.9° |
| O | S | N1 | C3 | 117.5° | 113.5° |
| O | S | O1 | C3 | 124.7° | 122.9° |
| O | S | N1 | C6 | 61.2° | 48.5° |
| O | S | C3 | C2 | 20.7° | 156.5° |
| O | S | C3 | C4 | 155.2° | 23.5° |
| O | S | N1 | HN1 | 118.8° | 131.5° |
| N1 | S | O1 | C3 | 113.6° | 114.1° |
| S | N1 | C6 | HN1 | 180.0° | 180.0° |
| N1 | S | C3 | C2 | 97.7° | 90.0° |
| S | N1 | C6 | O2 | 0.5° | 0.0° |
| N1 | S | C3 | C4 | 86.4° | 90.0° |
| S | N1 | C6 | C7 | 177.9° | 180.0° |
| O1 | S | N1 | C6 | 170.1° | 178.6° |
| O1 | S | C3 | C2 | 152.2° | 23.6° |
| O1 | S | C3 | C4 | 23.7° | 156.4° |
| O1 | S | N1 | HN1 | 9.9° | 1.4° |
| S | C3 | C2 | C1 | 178.8° | 180.0° |
| C3 | S | N1 | C6 | 56.3° | 65.0° |
| S | C3 | C2 | C4 | 175.9° | 179.9° |
| S | C3 | C4 | C5 | 178.8° | 179.7° |
| C3 | S | N1 | HN1 | 123.7° | 115.0° |
| S | C3 | C2 | H2 | 1.2° | 0.0° |
| S | C3 | C4 | H4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.0° | 0.1° |
| N1 | C6 | O2 | C7 | 177.1° | 180.0° |
| N1 | C6 | C7 | C8 | 154.7° | 180.0° |
| N1 | C6 | C7 | C9 | 137.9° | 111.4° |
| N1 | C6 | C7 | H7 | 6.8° | 34.3° |
| C2 | C3 | C4 | C5 | 3.0° | 0.3° |
| C3 | C2 | C1 | H1 | 178.3° | 180.0° |
| C2 | C3 | C4 | H4 | 177.0° | 180.0° |
| O2 | C6 | C7 | C8 | 27.9° | 0.0° |
| O2 | C6 | C7 | C9 | 39.5° | 68.6° |
| O2 | C6 | N1 | HN1 | 179.5° | 180.0° |
| O2 | C6 | C7 | H7 | 175.8° | 145.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C4 | C3 | C2 | H2 | 177.0° | 180.0° |
| C3 | C4 | C5 | H5 | 178.3° | 179.7° |
| C6 | C7 | C8 | C9 | 105.6° | 107.5° |
| C6 | C7 | C8 | H7 | 147.8° | 145.0° |
| C6 | C7 | C9 | H7 | 144.6° | 145.0° |
| C7 | C6 | N1 | HN1 | 2.1° | 0.0° |
| C6 | C7 | C8 | H8 | 144.8° | 144.9° |
| C6 | C7 | C8 | H8A | 4.0° | 0.0° |
| C6 | C7 | C9 | H9 | 0.7° | 0.1° |
| C6 | C7 | C9 | H9A | 141.3° | 145.0° |
| C8 | C7 | C9 | H7 | 106.4° | 107.5° |
| C7 | C8 | C9 | H8 | 109.6° | 107.5° |
| C7 | C8 | C9 | H8A | 109.6° | 107.4° |
| C7 | C8 | H8 | H8A | 144.5° | 145.6° |
| C8 | C7 | C9 | H9 | 109.7° | 107.6° |
| C8 | C7 | C9 | H9A | 109.7° | 107.5° |
| C7 | C9 | H9 | H9A | 144.3° | 145.6° |
| C9 | C8 | H8 | H8A | 144.5° | 145.7° |
| C8 | C9 | H9 | H9A | 144.3° | 145.7° |
| H1 | C1 | C2 | H2 | 1.7° | 0.1° |
| H4 | C4 | C5 | H5 | 1.7° | 0.0° |
| H7 | C7 | C8 | H8 | 3.0° | 0.1° |
| H7 | C7 | C8 | H8A | 143.8° | 145.0° |
| H7 | C7 | C9 | H9 | 143.9° | 145.0° |
| H7 | C7 | C9 | H9A | 3.3° | 0.0° |
| H8 | C8 | C9 | H9 | 140.7° | 145.0° |
| H8 | C8 | C9 | H9A | 0.1° | 0.0° |
| H8A | C8 | C9 | H9 | 0.1° | 0.0° |
| H8A | C8 | C9 | H9A | 140.8° | 145.1° |
