Z5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| O | C1 | sing | 1.43Å | 1.44Å | |
| O | C4 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| N | C6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.32Å | 1.31Å | Aromatic |
| C6 | S | sing | 1.72Å | 1.74Å | Aromatic |
| N1 | C7 | sing | 1.31Å | 1.38Å | Aromatic |
| S | N2 | sing | 1.70Å | 1.66Å | Aromatic |
| C7 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 106.8° | 109.5° |
| C | C1 | C2 | 111.9° | 109.5° |
| C | C1 | H12 | 109.3° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| C5 | C4 | O | 106.8° | 109.5° |
| C5 | C4 | C3 | 111.9° | 109.5° |
| C5 | C4 | H1 | 109.4° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.4° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.4° | 109.5° |
| C1 | O | C4 | 115.4° | 113.7° |
| O | C1 | C2 | 109.5° | 109.3° |
| O | C1 | H12 | 110.2° | 109.5° |
| O | C4 | C3 | 109.3° | 109.3° |
| O | C4 | H1 | 110.2° | 109.5° |
| C1 | C2 | N | 109.4° | 109.2° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.2° | 109.5° |
| C4 | C3 | N | 107.7° | 109.2° |
| C3 | C4 | H1 | 109.2° | 109.5° |
| C4 | C3 | H10 | 109.9° | 109.5° |
| C4 | C3 | H11 | 109.9° | 109.6° |
| C2 | N | C3 | 115.2° | 110.7° |
| C2 | N | C6 | 122.4° | 111.0° |
| N | C2 | H8 | 109.5° | 109.5° |
| N | C2 | H9 | 109.5° | 109.5° |
| C3 | N | C6 | 121.0° | 111.0° |
| N | C3 | H10 | 109.9° | 109.4° |
| N | C3 | H11 | 109.9° | 109.5° |
| N | C6 | N1 | 122.9° | 127.5° |
| N | C6 | S | 125.8° | 127.5° |
| N1 | C6 | S | 111.3° | 105.0° |
| C6 | N1 | C7 | 109.0° | 116.8° |
| C6 | S | N2 | 92.2° | 94.6° |
| N1 | C7 | N2 | 119.7° | 117.9° |
| N1 | C7 | C8 | 121.4° | 121.0° |
| S | N2 | C7 | 107.8° | 105.7° |
| N2 | C7 | C8 | 118.9° | 121.1° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H2 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C2 | 121.4° | 119.9° |
| C | C1 | O | H12 | 118.6° | 120.1° |
| C | C1 | O | C4 | 177.9° | 178.6° |
| C | C1 | C2 | H12 | 121.1° | 120.1° |
| C | C1 | C2 | N | 169.7° | 176.8° |
| C | C1 | C2 | H8 | 49.7° | 63.3° |
| C | C1 | C2 | H9 | 70.4° | 56.8° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C5 | C4 | O | C1 | 179.8° | 178.6° |
| C5 | C4 | O | C3 | 121.2° | 119.9° |
| C5 | C4 | O | H1 | 118.7° | 120.1° |
| C5 | C4 | C3 | H1 | 121.2° | 120.0° |
| C5 | C4 | C3 | N | 173.5° | 176.8° |
| C4 | C5 | H2 | H3 | 120.0° | 119.9° |
| C4 | C5 | H2 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H4 | 120.0° | 120.1° |
| C5 | C4 | C3 | H10 | 66.8° | 63.3° |
| C5 | C4 | C3 | H11 | 53.8° | 56.9° |
| O | C1 | C2 | H12 | 120.7° | 120.0° |
| C1 | O | C4 | C3 | 59.0° | 58.7° |
| O | C1 | C2 | N | 51.4° | 56.9° |
| C1 | O | C4 | H1 | 61.0° | 61.3° |
| O | C1 | C2 | H8 | 68.5° | 176.8° |
| O | C1 | C2 | H9 | 171.4° | 63.1° |
| O | C1 | C | H13 | 180.0° | 60.0° |
| O | C1 | C | H14 | 60.0° | 180.0° |
| O | C1 | C | H15 | 60.0° | 60.0° |
| C4 | O | C1 | C2 | 56.6° | 58.7° |
| O | C4 | C3 | H1 | 120.7° | 120.0° |
| O | C4 | C3 | N | 55.4° | 56.9° |
| O | C4 | C5 | H2 | 180.0° | 179.8° |
| O | C4 | C5 | H3 | 60.0° | 60.2° |
| O | C4 | C5 | H4 | 60.0° | 59.8° |
| O | C4 | C3 | H10 | 175.1° | 176.8° |
| O | C4 | C3 | H11 | 64.3° | 63.0° |
| C4 | O | C1 | H12 | 63.5° | 61.3° |
| C1 | C2 | N | H8 | 120.0° | 119.9° |
| C1 | C2 | N | H9 | 120.0° | 120.0° |
| C1 | C2 | N | C3 | 55.7° | 58.6° |
| C1 | C2 | N | C6 | 137.8° | 177.6° |
| C1 | C2 | H8 | H9 | 120.1° | 120.1° |
| C2 | C1 | C | H13 | 60.2° | 179.8° |
| C2 | C1 | C | H14 | 59.8° | 60.2° |
| C2 | C1 | C | H15 | 179.8° | 59.8° |
| C4 | C3 | N | C2 | 57.3° | 58.7° |
| C4 | C3 | N | H10 | 119.7° | 119.9° |
| C4 | C3 | N | H11 | 119.7° | 120.0° |
| C4 | C3 | N | C6 | 136.0° | 177.6° |
| C3 | C4 | C5 | H2 | 60.4° | 60.0° |
| C3 | C4 | C5 | H3 | 179.6° | 180.0° |
| C3 | C4 | C5 | H4 | 59.6° | 60.0° |
| C4 | C3 | H10 | H11 | 120.8° | 120.2° |
| C2 | N | C3 | C6 | 166.7° | 123.7° |
| C2 | N | C6 | N1 | 176.6° | 180.0° |
| C2 | N | C6 | S | 1.0° | 0.0° |
| N | C2 | H8 | H9 | 120.0° | 120.1° |
| C2 | N | C3 | H10 | 177.0° | 178.6° |
| C2 | N | C3 | H11 | 62.5° | 61.3° |
| N | C2 | C1 | H12 | 69.2° | 63.1° |
| C3 | N | C6 | N1 | 10.9° | 56.4° |
| C3 | N | C6 | S | 166.7° | 123.6° |
| N | C3 | C4 | H1 | 65.3° | 63.1° |
| C3 | N | C2 | H8 | 64.3° | 178.5° |
| C3 | N | C2 | H9 | 175.7° | 61.3° |
| N | C3 | H10 | H11 | 120.8° | 120.0° |
| N | C6 | N1 | S | 177.9° | 180.0° |
| N | C6 | N1 | C7 | 177.0° | 180.0° |
| N | C6 | S | N2 | 177.2° | 180.0° |
| C6 | N | C2 | H8 | 102.2° | 57.7° |
| C6 | N | C2 | H9 | 17.8° | 62.4° |
| C6 | N | C3 | H10 | 16.3° | 57.7° |
| C6 | N | C3 | H11 | 104.3° | 62.4° |
| N1 | C6 | S | N2 | 0.6° | 0.0° |
| C6 | N1 | C7 | N2 | 0.8° | 0.1° |
| C6 | N1 | C7 | C8 | 177.9° | 180.0° |
| S | C6 | N1 | C7 | 0.8° | 0.1° |
| C6 | S | N2 | C7 | 0.2° | 0.0° |
| N1 | C7 | N2 | S | 0.3° | 0.1° |
| N1 | C7 | N2 | C8 | 178.8° | 179.8° |
| N1 | C7 | C8 | H5 | 0.0° | 89.9° |
| N1 | C7 | C8 | H6 | 120.0° | 150.1° |
| N1 | C7 | C8 | H7 | 120.0° | 30.1° |
| S | N2 | C7 | C8 | 178.4° | 179.9° |
| N2 | C7 | C8 | H5 | 178.7° | 89.9° |
| N2 | C7 | C8 | H6 | 58.8° | 30.1° |
| N2 | C7 | C8 | H7 | 61.2° | 150.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H7 | 120.0° | 120.1° |
| C7 | C8 | H6 | H7 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 60.7° | 60.0° |
| H1 | C4 | C5 | H3 | 59.3° | 59.9° |
| H1 | C4 | C5 | H4 | 179.3° | 180.0° |
| H1 | C4 | C3 | H10 | 54.4° | 56.7° |
| H1 | C4 | C3 | H11 | 175.0° | 176.9° |
| H2 | C5 | H3 | H4 | 120.0° | 120.0° |
| H5 | C8 | H6 | H7 | 120.0° | 120.0° |
| H8 | C2 | C1 | H12 | 170.8° | 56.8° |
| H9 | C2 | C1 | H12 | 50.7° | 176.9° |
| H12 | C1 | C | H13 | 60.9° | 60.1° |
| H12 | C1 | C | H14 | 179.1° | 59.9° |
| H12 | C1 | C | H15 | 59.1° | 179.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
