EVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | S | sing | 1.66Å | 1.57Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| N | HNA | sing | 0.97Å | 1.00Å | |
| C2 | S | sing | 1.76Å | 1.71Å | |
| O2 | S | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.42Å | |
| C9 | N1 | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| N2 | C2 | doub | 1.30Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | N | HN | 109.5° | 120.0° |
| S | N | HNA | 109.5° | 120.0° |
| N | S | C2 | 108.1° | 107.2° |
| N | S | O2 | 111.4° | 106.4° |
| N | S | O1 | 109.3° | 106.4° |
| HN | N | HNA | 109.4° | 120.0° |
| C2 | S | O2 | 105.2° | 106.4° |
| C2 | S | O1 | 105.5° | 106.4° |
| S | C2 | N1 | 125.1° | 124.9° |
| S | C2 | N2 | 122.6° | 124.9° |
| O2 | S | O1 | 116.8° | 123.2° |
| C9 | N1 | C2 | 102.7° | 107.3° |
| N1 | C9 | C4 | 127.8° | 134.2° |
| N1 | C9 | C8 | 112.3° | 106.0° |
| C9 | N1 | HN1 | 128.6° | 126.3° |
| N1 | C2 | N2 | 112.3° | 110.1° |
| C2 | N1 | HN1 | 128.7° | 126.4° |
| C2 | N2 | C8 | 105.6° | 109.7° |
| N2 | C8 | C7 | 126.3° | 133.7° |
| N2 | C8 | C9 | 107.1° | 106.9° |
| C5 | C4 | C9 | 113.5° | 119.8° |
| C5 | C4 | H4 | 123.3° | 120.1° |
| C4 | C5 | C6 | 126.6° | 120.4° |
| C4 | C5 | H5 | 116.7° | 119.8° |
| C9 | C4 | H4 | 123.3° | 120.1° |
| C4 | C9 | C8 | 119.8° | 119.8° |
| C6 | C5 | H5 | 116.7° | 119.8° |
| C5 | C6 | C7 | 120.3° | 120.7° |
| C5 | C6 | H6 | 119.9° | 119.6° |
| C7 | C6 | H6 | 119.9° | 119.7° |
| C6 | C7 | C8 | 113.1° | 119.9° |
| C6 | C7 | H7 | 123.4° | 120.0° |
| C8 | C7 | H7 | 123.5° | 120.0° |
| C7 | C8 | C9 | 126.5° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | N | HN | HNA | 120.0° | 179.6° |
| N | S | C2 | O2 | 119.1° | 113.5° |
| N | S | C2 | O1 | 116.9° | 113.5° |
| N | S | O2 | O1 | 126.6° | 123.0° |
| N | S | C2 | N1 | 124.4° | 90.0° |
| N | S | C2 | N2 | 56.5° | 90.0° |
| HN | N | S | C2 | 180.0° | 180.0° |
| HN | N | S | O2 | 64.9° | 66.4° |
| HN | N | S | O1 | 65.7° | 66.5° |
| HNA | N | S | C2 | 60.0° | 0.3° |
| HNA | N | S | O2 | 55.0° | 113.2° |
| HNA | N | S | O1 | 174.3° | 113.8° |
| C2 | S | O2 | O1 | 116.6° | 122.9° |
| S | C2 | N1 | C9 | 178.7° | 179.8° |
| S | C2 | N1 | N2 | 179.2° | 180.0° |
| S | C2 | N2 | C8 | 178.7° | 180.0° |
| S | C2 | N1 | HN1 | 1.4° | 0.0° |
| O2 | S | C2 | N1 | 5.3° | 23.5° |
| O2 | S | C2 | N2 | 175.5° | 156.5° |
| O1 | S | C2 | N1 | 118.8° | 156.5° |
| O1 | S | C2 | N2 | 60.4° | 23.5° |
| C9 | N1 | C2 | HN1 | 180.0° | 179.8° |
| C9 | N1 | C2 | N2 | 0.6° | 0.2° |
| N1 | C9 | C8 | N2 | 0.1° | 0.3° |
| N1 | C9 | C4 | C5 | 179.5° | 179.9° |
| N1 | C9 | C4 | C8 | 179.3° | 179.7° |
| N1 | C9 | C4 | H4 | 0.5° | 0.1° |
| N1 | C9 | C8 | C7 | 176.3° | 179.8° |
| N1 | C2 | N2 | C8 | 0.5° | 0.0° |
| C2 | N1 | C9 | C4 | 179.8° | 180.0° |
| C2 | N1 | C9 | C8 | 0.4° | 0.3° |
| C2 | N2 | C8 | C7 | 175.9° | 180.0° |
| C2 | N2 | C8 | C9 | 0.3° | 0.2° |
| N2 | C2 | N1 | HN1 | 179.4° | 180.0° |
| N2 | C8 | C9 | C4 | 179.5° | 179.9° |
| N2 | C8 | C7 | C6 | 177.9° | 179.2° |
| N2 | C8 | C7 | C9 | 175.4° | 179.8° |
| N2 | C8 | C7 | H7 | 2.1° | 0.2° |
| C5 | C4 | C9 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.6° | 0.7° |
| C4 | C5 | C6 | H6 | 178.4° | 179.9° |
| C5 | C4 | C9 | C8 | 0.1° | 0.4° |
| C9 | C4 | C5 | C6 | 1.1° | 0.0° |
| C9 | C4 | C5 | H5 | 178.9° | 180.0° |
| C4 | C9 | C8 | C7 | 4.3° | 0.1° |
| C4 | C9 | N1 | HN1 | 0.2° | 0.2° |
| H4 | C4 | C5 | C6 | 178.9° | 180.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.0° |
| H4 | C4 | C9 | C8 | 179.8° | 179.6° |
| C5 | C6 | C7 | H6 | 180.0° | 179.4° |
| C5 | C6 | C7 | C8 | 5.1° | 1.0° |
| C5 | C6 | C7 | H7 | 174.9° | 180.0° |
| H5 | C5 | C6 | C7 | 178.4° | 179.3° |
| H5 | C5 | C6 | H6 | 1.6° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.0° |
| C6 | C7 | C8 | C9 | 6.7° | 0.6° |
| H6 | C6 | C7 | C8 | 174.9° | 179.6° |
| H6 | C6 | C7 | H7 | 5.1° | 0.6° |
| H7 | C7 | C8 | C9 | 173.3° | 179.6° |
| C8 | C9 | N1 | HN1 | 179.6° | 179.9° |
