ZEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | S8 | sing | 1.78Å | 1.75Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| S8 | C9 | sing | 1.79Å | 1.82Å | Aromatic |
| C9 | S11 | sing | 1.76Å | 1.77Å | |
| C9 | N10 | doub | 1.30Å | 1.27Å | Aromatic |
| S11 | N14 | sing | 1.66Å | 1.50Å | |
| S11 | O13 | doub | 1.42Å | 1.46Å | |
| S11 | O12 | doub | 1.42Å | 1.46Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å | |
| N10 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.5° | 106.8° |
| O1 | C2 | C7 | 119.4° | 120.4° |
| O1 | C2 | C3 | 119.5° | 120.4° |
| C7 | C2 | C3 | 121.2° | 119.2° |
| C2 | C7 | C6 | 114.5° | 119.4° |
| C2 | C7 | H7 | 122.8° | 120.3° |
| C2 | C3 | C4 | 123.5° | 121.6° |
| C2 | C3 | H3 | 118.3° | 119.2° |
| C6 | C7 | H7 | 122.8° | 120.3° |
| C7 | C6 | S8 | 122.0° | 135.2° |
| C7 | C6 | C5 | 124.2° | 122.7° |
| S8 | C6 | C5 | 113.8° | 102.2° |
| C6 | S8 | C9 | 84.5° | 97.1° |
| C6 | C5 | N10 | 112.4° | 115.6° |
| C6 | C5 | C4 | 121.3° | 116.2° |
| S8 | C9 | S11 | 116.6° | 128.8° |
| S8 | C9 | N10 | 115.9° | 102.4° |
| S11 | C9 | N10 | 127.6° | 128.8° |
| C9 | S11 | N14 | 107.6° | 107.4° |
| C9 | S11 | O13 | 104.8° | 105.8° |
| C9 | S11 | O12 | 105.0° | 105.7° |
| C9 | N10 | C5 | 113.4° | 122.7° |
| N14 | S11 | O13 | 111.0° | 105.8° |
| N14 | S11 | O12 | 110.4° | 105.8° |
| S11 | N14 | H141 | 109.5° | 120.1° |
| S11 | N14 | H142 | 109.5° | 120.0° |
| O13 | S11 | O12 | 117.3° | 125.4° |
| H141 | N14 | H142 | 109.4° | 119.9° |
| N10 | C5 | C4 | 126.2° | 128.2° |
| C5 | C4 | C3 | 115.3° | 120.9° |
| C5 | C4 | H4 | 122.3° | 119.5° |
| C3 | C4 | H4 | 122.3° | 119.5° |
| C4 | C3 | H3 | 118.3° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C7 | C3 | 179.8° | 180.0° |
| O1 | C2 | C7 | C6 | 179.7° | 180.0° |
| O1 | C2 | C7 | H7 | 0.4° | 0.0° |
| O1 | C2 | C3 | C4 | 180.0° | 180.0° |
| O1 | C2 | C3 | H3 | 0.0° | 0.1° |
| HO1 | O1 | C2 | C7 | 88.5° | 90.0° |
| HO1 | O1 | C2 | C3 | 91.3° | 90.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | S8 | 179.1° | 180.0° |
| C2 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C2 | C3 | C4 | 0.2° | 0.0° |
| C7 | C2 | C3 | H3 | 179.8° | 180.0° |
| C3 | C2 | C7 | C6 | 0.6° | 0.0° |
| C3 | C2 | C7 | H7 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C7 | C6 | S8 | C5 | 179.7° | 180.0° |
| C7 | C6 | S8 | C9 | 179.7° | 180.0° |
| C7 | C6 | C5 | N10 | 179.9° | 179.7° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| H7 | C7 | C6 | S8 | 0.9° | 0.1° |
| H7 | C7 | C6 | C5 | 179.5° | 180.0° |
| C6 | S8 | C9 | S11 | 178.1° | 180.0° |
| C6 | S8 | C9 | N10 | 1.0° | 0.3° |
| S8 | C6 | C5 | N10 | 0.3° | 0.3° |
| S8 | C6 | C5 | C4 | 179.7° | 180.0° |
| C5 | C6 | S8 | C9 | 0.7° | 0.0° |
| C6 | C5 | N10 | C9 | 0.5° | 0.6° |
| C6 | C5 | N10 | C4 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| S8 | C9 | S11 | N10 | 179.0° | 179.6° |
| S8 | C9 | S11 | N14 | 124.5° | 180.0° |
| S8 | C9 | S11 | O13 | 6.2° | 67.4° |
| S8 | C9 | S11 | O12 | 117.9° | 67.4° |
| S8 | C9 | N10 | C5 | 1.1° | 0.5° |
| C9 | S11 | N14 | O13 | 114.2° | 112.6° |
| C9 | S11 | N14 | O12 | 114.0° | 112.6° |
| C9 | S11 | O13 | O12 | 115.9° | 123.1° |
| C9 | S11 | N14 | H141 | 81.7° | 0.0° |
| C9 | S11 | N14 | H142 | 38.2° | 179.8° |
| S11 | C9 | N10 | C5 | 178.0° | 179.8° |
| N10 | C9 | S11 | N14 | 56.5° | 0.4° |
| N10 | C9 | S11 | O13 | 174.8° | 112.2° |
| N10 | C9 | S11 | O12 | 61.1° | 112.9° |
| C9 | N10 | C5 | C4 | 179.5° | 179.7° |
| N14 | S11 | O13 | O12 | 128.1° | 123.2° |
| S11 | N14 | H141 | H142 | 120.0° | 179.8° |
| O13 | S11 | N14 | H141 | 164.1° | 112.6° |
| O13 | S11 | N14 | H142 | 76.0° | 67.2° |
| O12 | S11 | N14 | H141 | 32.3° | 112.6° |
| O12 | S11 | N14 | H142 | 152.2° | 67.7° |
| N10 | C5 | C4 | C3 | 179.5° | 179.7° |
| N10 | C5 | C4 | H4 | 0.5° | 0.4° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| H4 | C4 | C3 | H3 | 0.3° | 0.1° |
