H1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | O | sing | 1.43Å | 1.44Å | |
| O | C4 | sing | 1.36Å | 1.37Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | S | sing | 1.76Å | 1.77Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | 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) |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C2 | C3 | O | 109.3° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C3 | C2 | H9 | 108.6° | 109.5° |
| C3 | C2 | H10 | 108.6° | 109.5° |
| C2 | C1 | C | 113.0° | 109.5° |
| C1 | C2 | H9 | 108.6° | 109.4° |
| C1 | C2 | H10 | 108.6° | 109.5° |
| C2 | C1 | H11 | 108.6° | 109.4° |
| C2 | C1 | H12 | 108.6° | 109.5° |
| C3 | O | C4 | 118.1° | 117.0° |
| O | C3 | H7 | 109.5° | 109.5° |
| O | C3 | H8 | 109.5° | 109.5° |
| O | C4 | C5 | 123.4° | 120.0° |
| O | C4 | C9 | 116.1° | 120.1° |
| C | C1 | H11 | 108.6° | 109.4° |
| C | C1 | H12 | 108.6° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.4° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C5 | C4 | C9 | 120.6° | 119.9° |
| C4 | C5 | C6 | 119.8° | 119.9° |
| C4 | C5 | H1 | 120.1° | 120.0° |
| C4 | C9 | C8 | 120.0° | 120.0° |
| C4 | C9 | H4 | 120.0° | 120.1° |
| C5 | C6 | C7 | 119.6° | 120.1° |
| C6 | C5 | H1 | 120.1° | 120.0° |
| C5 | C6 | H2 | 120.2° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.1° |
| C9 | C8 | H3 | 120.2° | 120.0° |
| C8 | C9 | H4 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.1° |
| C6 | C7 | S | 120.1° | 119.9° |
| C7 | C6 | H2 | 120.2° | 120.0° |
| C8 | C7 | S | 119.4° | 120.0° |
| C7 | C8 | H3 | 120.2° | 119.9° |
| C7 | S | N | 107.3° | 107.3° |
| C7 | S | O2 | 105.9° | 106.4° |
| C7 | S | O1 | 106.5° | 106.4° |
| N | S | O2 | 109.9° | 106.4° |
| N | S | O1 | 109.0° | 106.4° |
| S | N | H5 | 109.5° | 119.9° |
| S | N | H6 | 109.5° | 120.0° |
| O2 | S | O1 | 117.7° | 123.1° |
| H5 | N | H6 | 109.5° | 120.1° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H9 | 120.5° | 119.9° |
| C3 | C2 | C1 | H10 | 120.5° | 120.0° |
| C2 | C3 | O | H7 | 120.0° | 120.0° |
| C2 | C3 | O | H8 | 120.0° | 120.0° |
| C2 | C3 | O | C4 | 167.4° | 180.0° |
| C3 | C2 | C1 | C | 170.5° | 180.0° |
| C2 | C3 | H7 | H8 | 120.1° | 120.0° |
| C3 | C2 | H9 | H10 | 118.4° | 120.0° |
| C3 | C2 | C1 | H11 | 69.0° | 60.1° |
| C3 | C2 | C1 | H12 | 50.0° | 60.0° |
| C1 | C2 | C3 | O | 73.4° | 180.0° |
| C2 | C1 | C | H11 | 120.5° | 120.0° |
| C2 | C1 | C | H12 | 120.5° | 120.1° |
| C1 | C2 | C3 | H7 | 166.6° | 60.1° |
| C1 | C2 | C3 | H8 | 46.6° | 60.0° |
| C1 | C2 | H9 | H10 | 118.4° | 120.0° |
| C2 | C1 | H11 | H12 | 118.4° | 120.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 59.9° |
| C2 | C1 | C | H15 | 60.0° | 179.9° |
| C3 | O | C4 | C5 | 0.7° | 180.0° |
| C3 | O | C4 | C9 | 180.0° | 0.2° |
| O | C3 | H7 | H8 | 120.1° | 120.0° |
| O | C3 | C2 | H9 | 166.0° | 60.0° |
| O | C3 | C2 | H10 | 47.1° | 60.0° |
| O | C4 | C5 | C9 | 179.2° | 179.8° |
| O | C4 | C5 | C6 | 176.9° | 179.7° |
| O | C4 | C9 | C8 | 177.6° | 179.7° |
| O | C4 | C5 | H1 | 3.2° | 0.2° |
| O | C4 | C9 | H4 | 2.5° | 0.3° |
| C4 | O | C3 | H7 | 72.6° | 60.1° |
| C4 | O | C3 | H8 | 47.4° | 60.0° |
| C | C1 | C2 | H9 | 50.0° | 60.0° |
| C | C1 | C2 | H10 | 68.9° | 60.0° |
| C | C1 | H11 | H12 | 118.4° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 1.7° | 0.0° |
| C4 | C5 | C6 | C7 | 1.0° | 0.1° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | C9 | H4 | 178.3° | 179.9° |
| C9 | C4 | C5 | C6 | 2.4° | 0.0° |
| C4 | C9 | C8 | H4 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C4 | C5 | H1 | 177.6° | 180.0° |
| C4 | C9 | C8 | H3 | 179.6° | 180.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.1° |
| C5 | C6 | C7 | S | 175.6° | 180.0° |
| C9 | C8 | C7 | C6 | 1.7° | 0.0° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | S | 175.0° | 180.0° |
| C6 | C7 | C8 | S | 176.7° | 179.9° |
| C6 | C7 | S | N | 42.6° | 90.0° |
| C6 | C7 | S | O2 | 159.9° | 156.5° |
| C6 | C7 | S | O1 | 74.1° | 23.6° |
| C7 | C6 | C5 | H1 | 179.0° | 180.0° |
| C6 | C7 | C8 | H3 | 178.3° | 180.0° |
| C8 | C7 | S | N | 140.7° | 90.0° |
| C8 | C7 | S | O2 | 23.4° | 23.6° |
| C8 | C7 | S | O1 | 102.6° | 156.5° |
| C8 | C7 | C6 | H2 | 178.9° | 180.0° |
| C7 | C8 | C9 | H4 | 179.7° | 179.9° |
| C7 | S | N | O2 | 114.7° | 113.6° |
| C7 | S | N | O1 | 115.0° | 113.6° |
| C7 | S | O2 | O1 | 118.9° | 123.0° |
| S | C7 | C6 | H2 | 4.4° | 0.1° |
| S | C7 | C8 | H3 | 5.0° | 0.1° |
| C7 | S | N | H5 | 180.0° | 0.0° |
| C7 | S | N | H6 | 60.0° | 180.0° |
| N | S | O2 | O1 | 125.6° | 122.9° |
| S | N | H5 | H6 | 120.0° | 179.9° |
| O2 | S | N | H5 | 65.3° | 113.5° |
| O2 | S | N | H6 | 54.7° | 66.4° |
| O1 | S | N | H5 | 65.0° | 113.6° |
| O1 | S | N | H6 | 175.0° | 66.5° |
| H1 | C5 | C6 | H2 | 1.0° | 0.1° |
| H3 | C8 | C9 | H4 | 0.3° | 0.0° |
| H7 | C3 | C2 | H9 | 46.1° | NaN° |
| H7 | C3 | C2 | H10 | 72.9° | 60.0° |
| H8 | C3 | C2 | H9 | 74.0° | 60.0° |
| H8 | C3 | C2 | H10 | 167.1° | 180.0° |
| H9 | C2 | C1 | H11 | 170.5° | 180.0° |
| H9 | C2 | C1 | H12 | 70.5° | 60.0° |
| H10 | C2 | C1 | H11 | 51.6° | 60.0° |
| H10 | C2 | C1 | H12 | 170.6° | 180.0° |
| H11 | C1 | C | H13 | 59.5° | 180.0° |
| H11 | C1 | C | H14 | 179.5° | 60.0° |
| H11 | C1 | C | H15 | 60.5° | 60.0° |
| H12 | C1 | C | H13 | 59.5° | 60.0° |
| H12 | C1 | C | H14 | 60.5° | 180.0° |
| H12 | C1 | C | H15 | 179.5° | 60.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
