EZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S1 | sing | 1.66Å | 1.60Å | |
| C2 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | S2 | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | O3 | sing | 1.36Å | 1.39Å | |
| C8 | O3 | sing | 1.43Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| O1 | S1 | doub | 1.42Å | 1.45Å | |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | C1 | sing | 1.76Å | 1.79Å | |
| C1 | N2 | doub | 1.28Å | 1.30Å | Aromatic |
| C1 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.41Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S1 | O1 | 109.4° | 106.4° |
| N1 | S1 | O2 | 108.6° | 106.4° |
| N1 | S1 | C1 | 108.4° | 107.2° |
| S1 | N1 | HN1 | 109.5° | 120.0° |
| S1 | N1 | HN1A | 109.5° | 119.9° |
| C3 | C2 | N2 | 115.6° | 112.8° |
| C3 | C2 | C7 | 119.4° | 118.4° |
| C2 | C3 | C4 | 121.8° | 120.4° |
| C2 | C3 | S2 | 109.0° | 108.3° |
| N2 | C2 | C7 | 125.0° | 128.8° |
| C2 | N2 | C1 | 108.2° | 118.1° |
| C2 | C7 | C6 | 118.4° | 120.6° |
| C2 | C7 | H7 | 120.8° | 119.7° |
| C4 | C3 | S2 | 129.2° | 131.3° |
| C3 | C4 | C5 | 118.7° | 120.0° |
| C3 | C4 | H4 | 120.6° | 120.0° |
| C3 | S2 | C1 | 88.6° | 90.4° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C4 | C5 | O3 | 118.7° | 120.1° |
| C5 | C4 | H4 | 120.7° | 120.0° |
| C6 | C5 | O3 | 121.3° | 120.0° |
| C5 | C6 | C7 | 121.7° | 120.7° |
| C5 | C6 | H6 | 119.1° | 119.6° |
| C5 | O3 | C8 | 118.7° | 117.0° |
| O3 | C8 | C9 | 107.9° | 109.5° |
| O3 | C8 | H8 | 110.0° | 109.5° |
| O3 | C8 | H8A | 110.3° | 109.5° |
| C9 | C8 | H8 | 110.0° | 109.5° |
| C9 | C8 | H8A | 110.4° | 109.4° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| O1 | S1 | O2 | 119.2° | 123.1° |
| O1 | S1 | C1 | 105.8° | 106.4° |
| O2 | S1 | C1 | 104.8° | 106.5° |
| S1 | C1 | N2 | 122.6° | 124.8° |
| S1 | C1 | S2 | 118.8° | 124.7° |
| N2 | C1 | S2 | 118.6° | 110.5° |
| C7 | C6 | H6 | 119.1° | 119.7° |
| C6 | C7 | H7 | 120.8° | 119.7° |
| HN1 | N1 | HN1A | 109.5° | 120.1° |
| H8 | C8 | H8A | 108.3° | 109.4° |
| H9 | C9 | H9A | 109.4° | 109.4° |
| H9 | C9 | H9B | 109.4° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S1 | O1 | O2 | 125.8° | 122.9° |
| N1 | S1 | O1 | C1 | 116.6° | 114.1° |
| N1 | S1 | O2 | C1 | 115.7° | 114.1° |
| N1 | S1 | C1 | N2 | 56.8° | 90.0° |
| N1 | S1 | C1 | S2 | 123.9° | 90.1° |
| S1 | N1 | HN1 | HN1A | 120.0° | 179.6° |
| C3 | C2 | N2 | C7 | 179.5° | 179.7° |
| C2 | C3 | C4 | S2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | N2 | C1 | 0.1° | 0.0° |
| C2 | C3 | S2 | C1 | 0.3° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | C7 | H7 | 179.9° | 180.0° |
| N2 | C2 | C3 | C4 | 179.7° | 180.0° |
| N2 | C2 | C3 | S2 | 0.3° | 0.0° |
| C2 | N2 | C1 | S1 | 179.2° | 179.9° |
| C2 | N2 | C1 | S2 | 0.2° | 0.0° |
| N2 | C2 | C7 | C6 | 179.6° | 179.9° |
| N2 | C2 | C7 | H7 | 0.4° | 0.3° |
| C7 | C2 | C3 | C4 | 0.2° | 0.3° |
| C7 | C2 | C3 | S2 | 179.8° | 179.8° |
| C2 | C7 | C6 | C5 | 0.3° | 0.4° |
| C7 | C2 | N2 | C1 | 179.6° | 179.7° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | H6 | 179.7° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | O3 | 179.6° | 180.0° |
| C4 | C3 | S2 | C1 | 179.7° | 180.0° |
| S2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C3 | S2 | C1 | S1 | 179.1° | 179.9° |
| C3 | S2 | C1 | N2 | 0.3° | 0.0° |
| S2 | C3 | C4 | H4 | 0.4° | 0.0° |
| C4 | C5 | C6 | O3 | 179.8° | 179.9° |
| C4 | C5 | O3 | C8 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.2° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C6 | C5 | O3 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C5 | O3 | C8 | C9 | 115.5° | 180.0° |
| O3 | C5 | C6 | C7 | 179.7° | 179.8° |
| O3 | C5 | C4 | H4 | 0.4° | 0.0° |
| C5 | O3 | C8 | H8 | 4.5° | 59.9° |
| C5 | O3 | C8 | H8A | 123.9° | 60.0° |
| O3 | C5 | C6 | H6 | 0.3° | 0.1° |
| O3 | C8 | C9 | H8 | 120.0° | 120.1° |
| O3 | C8 | C9 | H8A | 120.6° | 120.0° |
| O3 | C8 | H8 | H8A | 120.6° | 120.0° |
| O3 | C8 | C9 | H9 | 68.9° | 180.0° |
| O3 | C8 | C9 | H9A | 171.2° | 60.0° |
| O3 | C8 | C9 | H9B | 51.1° | 60.0° |
| C9 | C8 | H8 | H8A | 120.6° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.1° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| O1 | S1 | O2 | C1 | 118.1° | 123.0° |
| O1 | S1 | C1 | N2 | 174.1° | 23.5° |
| O1 | S1 | C1 | S2 | 6.6° | 156.4° |
| O1 | S1 | N1 | HN1 | 78.0° | 113.6° |
| O1 | S1 | N1 | HN1A | 162.0° | 66.8° |
| O2 | S1 | C1 | N2 | 59.1° | 156.4° |
| O2 | S1 | C1 | S2 | 120.2° | 23.5° |
| O2 | S1 | N1 | HN1 | 150.3° | 113.5° |
| O2 | S1 | N1 | HN1A | 30.3° | 66.1° |
| S1 | C1 | N2 | S2 | 179.3° | 179.9° |
| C1 | S1 | N1 | HN1 | 37.0° | 0.1° |
| C1 | S1 | N1 | HN1A | 83.0° | 179.7° |
| H8 | C8 | C9 | H9 | 51.2° | 60.0° |
| H8 | C8 | C9 | H9A | 68.8° | 180.0° |
| H8 | C8 | C9 | H9B | 171.1° | 60.1° |
| H8A | C8 | C9 | H9 | 170.5° | 60.0° |
| H8A | C8 | C9 | H9A | 50.6° | 60.0° |
| H8A | C8 | C9 | H9B | 69.5° | 180.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.2° |
| H9 | C9 | H9A | H9B | 119.9° | 119.9° |
