EZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SE4 | C3 | sing | 1.96Å | 1.94Å | |
| SE4 | C5 | sing | 1.96Å | 1.92Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C5 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.31Å | 1.34Å | |
| C6 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | S9 | sing | 1.76Å | 1.78Å | |
| N11 | S9 | sing | 1.66Å | 1.63Å | |
| O12 | S9 | doub | 1.42Å | 1.46Å | |
| S9 | O10 | doub | 1.42Å | 1.43Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| N11 | H10 | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | SE4 | C5 | 99.4° | 101.0° |
| SE4 | C3 | C2 | 113.1° | 109.4° |
| SE4 | C3 | H8 | 108.6° | 109.5° |
| SE4 | C3 | H9 | 108.6° | 109.5° |
| SE4 | C5 | C14 | 122.1° | 120.0° |
| SE4 | C5 | C6 | 118.4° | 120.0° |
| C3 | C2 | C1 | 121.6° | 120.0° |
| C3 | C2 | H7 | 119.2° | 120.0° |
| C2 | C3 | H8 | 108.6° | 109.5° |
| C2 | C3 | H9 | 108.5° | 109.4° |
| C14 | C5 | C6 | 119.4° | 120.1° |
| C5 | C14 | C13 | 121.4° | 120.0° |
| C5 | C14 | H4 | 119.3° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C14 | C13 | C8 | 118.8° | 120.0° |
| C14 | C13 | H2 | 120.6° | 120.0° |
| C13 | C14 | H4 | 119.3° | 120.0° |
| C2 | C1 | H5 | 120.0° | 120.0° |
| C2 | C1 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | 119.2° | 120.0° |
| C6 | C7 | C8 | 121.6° | 120.0° |
| C6 | C7 | H1 | 119.2° | 120.0° |
| C7 | C6 | H3 | 120.0° | 120.0° |
| C13 | C8 | C7 | 118.8° | 120.0° |
| C13 | C8 | S9 | 120.5° | 120.0° |
| C8 | C13 | H2 | 120.6° | 120.0° |
| C7 | C8 | S9 | 120.7° | 120.0° |
| C8 | C7 | H1 | 119.2° | 120.0° |
| C8 | S9 | N11 | 105.1° | 107.2° |
| C8 | S9 | O12 | 103.6° | 106.4° |
| C8 | S9 | O10 | 105.8° | 106.4° |
| N11 | S9 | O12 | 111.9° | 106.4° |
| N11 | S9 | O10 | 111.1° | 106.4° |
| S9 | N11 | H10 | 109.5° | 120.0° |
| S9 | N11 | H11 | 109.5° | 120.0° |
| O12 | S9 | O10 | 117.9° | 123.2° |
| H5 | C1 | H6 | 120.0° | 120.0° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | N11 | H11 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SE4 | C3 | C2 | H8 | 120.5° | 120.0° |
| SE4 | C3 | C2 | H9 | 120.6° | 119.9° |
| C3 | SE4 | C5 | C14 | 44.1° | 90.0° |
| C3 | SE4 | C5 | C6 | 136.8° | 90.3° |
| SE4 | C3 | C2 | C1 | 121.5° | 125.0° |
| SE4 | C3 | C2 | H7 | 58.5° | 55.0° |
| SE4 | C3 | H8 | H9 | 118.4° | 120.0° |
| C5 | SE4 | C3 | C2 | 96.1° | 180.0° |
| SE4 | C5 | C14 | C6 | 179.1° | 179.7° |
| SE4 | C5 | C14 | C13 | 177.6° | 180.0° |
| SE4 | C5 | C6 | C7 | 176.9° | 179.7° |
| SE4 | C5 | C6 | H3 | 3.1° | 0.3° |
| SE4 | C5 | C14 | H4 | 2.4° | 0.6° |
| C5 | SE4 | C3 | H8 | 24.4° | 60.0° |
| C5 | SE4 | C3 | H9 | 143.3° | 60.0° |
| C3 | C2 | C1 | H7 | 180.0° | 180.0° |
| C3 | C2 | C1 | H5 | 0.0° | 0.1° |
| C3 | C2 | C1 | H6 | 180.0° | 180.0° |
| C2 | C3 | H8 | H9 | 118.3° | 120.0° |
| C5 | C14 | C13 | H4 | 180.0° | 179.4° |
| C14 | C5 | C6 | C7 | 2.3° | 0.0° |
| C5 | C14 | C13 | C8 | 1.5° | 0.6° |
| C5 | C14 | C13 | H2 | 178.5° | 180.0° |
| C14 | C5 | C6 | H3 | 177.7° | 180.0° |
| C6 | C5 | C14 | C13 | 1.5° | 0.3° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.7° |
| C6 | C5 | C14 | H4 | 178.5° | 179.7° |
| C14 | C13 | C8 | H2 | 180.0° | 179.4° |
| C14 | C13 | C8 | C7 | 3.7° | 0.6° |
| C14 | C13 | C8 | S9 | 179.8° | 179.4° |
| C2 | C1 | H5 | H6 | 180.0° | 179.9° |
| C1 | C2 | C3 | H8 | 118.0° | 115.0° |
| C1 | C2 | C3 | H9 | 0.9° | 5.1° |
| C6 | C7 | C8 | C13 | 3.0° | 0.3° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | S9 | 179.5° | 179.7° |
| C13 | C8 | C7 | S9 | 176.5° | 180.0° |
| C13 | C8 | S9 | N11 | 47.7° | 90.0° |
| C13 | C8 | S9 | O12 | 165.2° | 156.5° |
| C13 | C8 | S9 | O10 | 70.0° | 23.5° |
| C13 | C8 | C7 | H1 | 177.0° | 180.0° |
| C8 | C13 | C14 | H4 | 178.5° | 180.0° |
| C7 | C8 | S9 | N11 | 135.9° | 90.0° |
| C7 | C8 | S9 | O12 | 18.3° | 23.5° |
| C7 | C8 | S9 | O10 | 106.4° | 156.5° |
| C7 | C8 | C13 | H2 | 176.3° | 180.0° |
| C8 | C7 | C6 | H3 | 179.9° | 180.0° |
| C8 | S9 | N11 | O12 | 111.8° | 113.5° |
| C8 | S9 | N11 | O10 | 114.1° | 113.6° |
| C8 | S9 | O12 | O10 | 116.5° | 123.0° |
| S9 | C8 | C7 | H1 | 0.5° | 0.0° |
| S9 | C8 | C13 | H2 | 0.2° | 0.0° |
| C8 | S9 | N11 | H10 | 180.0° | 0.1° |
| C8 | S9 | N11 | H11 | 60.0° | 180.0° |
| N11 | S9 | O12 | O10 | 130.7° | 123.0° |
| S9 | N11 | H10 | H11 | 120.0° | 180.0° |
| O12 | S9 | N11 | H10 | 68.2° | 113.5° |
| O12 | S9 | N11 | H11 | 51.8° | 66.5° |
| O10 | S9 | N11 | H10 | 65.9° | 113.5° |
| O10 | S9 | N11 | H11 | 174.1° | 66.5° |
| H1 | C7 | C6 | H3 | 0.1° | 0.3° |
| H2 | C13 | C14 | H4 | 1.5° | 0.6° |
| H5 | C1 | C2 | H7 | 180.0° | 179.9° |
| H6 | C1 | C2 | H7 | 0.0° | 0.0° |
| H7 | C2 | C3 | H8 | 62.0° | 65.0° |
| H7 | C2 | C3 | H9 | 179.1° | 175.0° |
