L4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | O | sing | 1.43Å | 1.44Å | |
| O | C5 | sing | 1.36Å | 1.37Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C5 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.77Å | |
| N | S | sing | 1.66Å | 1.60Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C3 | C2 | C1 | 113.7° | 109.5° |
| C3 | C2 | H14 | 108.4° | 109.4° |
| C3 | C2 | H15 | 108.4° | 109.5° |
| C2 | C3 | H16 | 108.9° | 109.5° |
| C2 | C3 | H17 | 108.9° | 109.5° |
| C3 | C4 | O | 108.5° | 109.5° |
| C3 | C4 | H1 | 109.7° | 109.5° |
| C3 | C4 | H2 | 109.7° | 109.5° |
| C4 | C3 | H16 | 108.9° | 109.4° |
| C4 | C3 | H17 | 108.8° | 109.4° |
| C2 | C1 | C | 112.8° | 109.5° |
| C2 | C1 | H12 | 108.6° | 109.5° |
| C2 | C1 | H13 | 108.6° | 109.5° |
| C1 | C2 | H14 | 108.4° | 109.5° |
| C1 | C2 | H15 | 108.4° | 109.5° |
| C4 | O | C5 | 117.8° | 117.0° |
| O | C4 | H1 | 109.7° | 109.4° |
| O | C4 | H2 | 109.7° | 109.5° |
| O | C5 | C10 | 120.7° | 120.0° |
| O | C5 | C6 | 119.0° | 120.0° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C | C1 | H12 | 108.7° | 109.5° |
| C | C1 | H13 | 108.6° | 109.4° |
| C10 | C5 | C6 | 120.3° | 119.9° |
| C5 | C10 | C9 | 120.0° | 120.0° |
| C5 | C10 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C5 | C6 | H3 | 120.0° | 120.1° |
| C10 | C9 | C8 | 119.5° | 120.0° |
| C10 | C9 | H5 | 120.3° | 120.0° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| C7 | C6 | H3 | 120.0° | 120.0° |
| C6 | C7 | H4 | 120.2° | 120.0° |
| C9 | C8 | C7 | 120.6° | 120.2° |
| C9 | C8 | S | 119.8° | 119.9° |
| C8 | C9 | H5 | 120.2° | 120.0° |
| C7 | C8 | S | 119.6° | 119.9° |
| C8 | C7 | H4 | 120.2° | 120.0° |
| C8 | S | N | 107.3° | 107.3° |
| C8 | S | O1 | 106.5° | 106.4° |
| C8 | S | O2 | 106.7° | 106.4° |
| N | S | O1 | 108.6° | 106.4° |
| N | S | O2 | 109.1° | 106.4° |
| S | N | H7 | 109.5° | 120.0° |
| S | N | H8 | 109.5° | 120.0° |
| O1 | S | O2 | 118.1° | 123.1° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H7 | N | H8 | 109.4° | 120.0° |
| H9 | C | H10 | 109.4° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H16 | 120.4° | 120.0° |
| C2 | C3 | C4 | H17 | 120.4° | 120.0° |
| C3 | C2 | C1 | H14 | 120.6° | 120.0° |
| C3 | C2 | C1 | H15 | 120.6° | 120.0° |
| C2 | C3 | C4 | O | 64.9° | 180.0° |
| C3 | C2 | C1 | C | 164.8° | 180.0° |
| C2 | C3 | C4 | H1 | 175.3° | 60.0° |
| C2 | C3 | C4 | H2 | 55.0° | 60.0° |
| C3 | C2 | C1 | H12 | 74.7° | 60.0° |
| C3 | C2 | C1 | H13 | 44.3° | 60.0° |
| C3 | C2 | H14 | H15 | 118.1° | 120.0° |
| C2 | C3 | H16 | H17 | 118.9° | 120.1° |
| C4 | C3 | C2 | C1 | 64.2° | 180.0° |
| C3 | C4 | O | H1 | 119.9° | 120.0° |
| C3 | C4 | O | H2 | 119.9° | 120.0° |
| C3 | C4 | O | C5 | 171.3° | 180.0° |
| C3 | C4 | H1 | H2 | 120.5° | 120.0° |
| C4 | C3 | C2 | H14 | 175.2° | 60.0° |
| C4 | C3 | C2 | H15 | 56.5° | 60.0° |
| C4 | C3 | H16 | H17 | 118.9° | 119.9° |
| C2 | C1 | C | H12 | 120.5° | 120.0° |
| C2 | C1 | C | H13 | 120.5° | 120.0° |
| C2 | C1 | C | H9 | 180.0° | 180.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C2 | C1 | C | H11 | 60.0° | 60.0° |
| C2 | C1 | H12 | H13 | 118.5° | 120.0° |
| C1 | C2 | H14 | H15 | 118.1° | 120.0° |
| C1 | C2 | C3 | H16 | 175.5° | 60.0° |
| C1 | C2 | C3 | H17 | 56.2° | 60.0° |
| C4 | O | C5 | C10 | 2.0° | 180.0° |
| C4 | O | C5 | C6 | 176.4° | 0.3° |
| O | C4 | H1 | H2 | 120.4° | 120.0° |
| O | C4 | C3 | H16 | 55.5° | 60.0° |
| O | C4 | C3 | H17 | 174.8° | 59.9° |
| O | C5 | C10 | C6 | 178.5° | 179.7° |
| O | C5 | C10 | C9 | 179.7° | 179.7° |
| O | C5 | C6 | C7 | 179.1° | 179.7° |
| C5 | O | C4 | H1 | 51.4° | 60.0° |
| C5 | O | C4 | H2 | 68.8° | 60.0° |
| O | C5 | C6 | H3 | 0.8° | 0.3° |
| O | C5 | C10 | H6 | 0.4° | 0.2° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.1° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | H12 | H13 | 118.5° | 120.0° |
| C | C1 | C2 | H14 | 44.2° | 60.0° |
| C | C1 | C2 | H15 | 74.6° | 60.0° |
| C5 | C10 | C9 | H6 | 180.0° | 180.0° |
| C10 | C5 | C6 | C7 | 0.7° | 0.0° |
| C5 | C10 | C9 | C8 | 0.6° | 0.0° |
| C10 | C5 | C6 | H3 | 179.3° | 179.9° |
| C5 | C10 | C9 | H5 | 179.4° | 179.9° |
| C6 | C5 | C10 | C9 | 1.2° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| C6 | C5 | C10 | H6 | 178.8° | 180.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C10 | C9 | C8 | S | 178.3° | 180.0° |
| C6 | C7 | C8 | C9 | 1.2° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | S | 177.8° | 180.0° |
| C9 | C8 | C7 | S | 179.0° | 180.0° |
| C9 | C8 | S | N | 44.2° | 90.0° |
| C9 | C8 | S | O1 | 160.4° | 23.6° |
| C9 | C8 | S | O2 | 72.6° | 156.5° |
| C9 | C8 | C7 | H4 | 178.8° | 180.0° |
| C8 | C9 | C10 | H6 | 179.5° | 180.0° |
| C7 | C8 | S | N | 136.8° | 90.0° |
| C7 | C8 | S | O1 | 20.6° | 156.4° |
| C7 | C8 | S | O2 | 106.4° | 23.6° |
| C8 | C7 | C6 | H3 | 179.5° | 179.9° |
| C7 | C8 | C9 | H5 | 179.4° | 179.9° |
| C8 | S | N | O1 | 114.8° | 113.6° |
| C8 | S | N | O2 | 115.3° | 113.5° |
| C8 | S | O1 | O2 | 119.9° | 122.9° |
| S | C8 | C7 | H4 | 2.2° | 0.0° |
| S | C8 | C9 | H5 | 1.6° | 0.1° |
| C8 | S | N | H7 | 180.0° | 150.0° |
| C8 | S | N | H8 | 60.0° | 30.0° |
| N | S | O1 | O2 | 124.8° | 122.9° |
| S | N | H7 | H8 | 120.0° | 179.9° |
| O1 | S | N | H7 | 65.2° | 36.4° |
| O1 | S | N | H8 | 54.8° | 143.5° |
| O2 | S | N | H7 | 64.7° | 96.5° |
| O2 | S | N | H8 | 175.3° | 83.6° |
| H1 | C4 | C3 | H16 | 64.3° | 180.0° |
| H1 | C4 | C3 | H17 | 55.0° | 60.0° |
| H2 | C4 | C3 | H16 | 175.3° | 60.0° |
| H2 | C4 | C3 | H17 | 65.4° | 180.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.0° |
| H5 | C9 | C10 | H6 | 0.5° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H9 | C | C1 | H12 | 59.5° | 60.0° |
| H9 | C | C1 | H13 | 59.5° | 60.0° |
| H10 | C | C1 | H12 | 179.5° | 60.0° |
| H10 | C | C1 | H13 | 60.5° | 180.0° |
| H11 | C | C1 | H12 | 60.5° | 180.0° |
| H11 | C | C1 | H13 | 179.5° | 60.0° |
| H12 | C1 | C2 | H14 | 164.7° | 180.0° |
| H12 | C1 | C2 | H15 | 45.9° | 60.0° |
| H13 | C1 | C2 | H14 | 76.3° | 60.0° |
| H13 | C1 | C2 | H15 | 164.9° | 180.0° |
| H14 | C2 | C3 | H16 | 54.9° | 60.0° |
| H14 | C2 | C3 | H17 | 64.4° | 180.0° |
| H15 | C2 | C3 | H16 | 63.9° | 180.0° |
| H15 | C2 | C3 | H17 | 176.8° | 60.0° |
