W5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C1 | doub | 1.38Å | 1.45Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.32Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| O | C7 | sing | 1.43Å | 1.43Å | |
| CL | C6 | sing | 1.74Å | 1.59Å | |
| C6 | C5 | doub | 1.38Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | N | sing | 1.47Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C8 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| N | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 119.4° | 120.0° |
| C | C1 | C6 | 121.8° | 120.0° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C2 | C3 | 117.2° | 119.9° |
| C2 | C1 | C6 | 118.8° | 120.0° |
| C1 | C2 | H9 | 121.4° | 120.1° |
| C2 | C3 | O | 117.7° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C3 | C2 | H9 | 121.4° | 120.0° |
| C1 | C6 | CL | 117.5° | 120.0° |
| C1 | C6 | C5 | 125.3° | 120.1° |
| O | C3 | C4 | 122.8° | 120.0° |
| C3 | O | C7 | 114.3° | 117.0° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C3 | C4 | H8 | 119.2° | 120.1° |
| O | C7 | C8 | 106.4° | 109.5° |
| O | C7 | H1 | 110.2° | 109.5° |
| O | C7 | H2 | 110.2° | 109.5° |
| CL | C6 | C5 | 117.2° | 120.0° |
| C6 | C5 | C4 | 117.8° | 120.0° |
| C6 | C5 | H7 | 121.1° | 120.0° |
| C4 | C5 | H7 | 121.1° | 120.0° |
| C5 | C4 | H8 | 119.3° | 120.0° |
| C8 | C9 | N | 105.8° | 109.4° |
| C9 | C8 | C7 | 108.4° | 109.4° |
| C9 | C8 | O1 | 106.3° | 109.4° |
| C9 | C8 | H3 | 108.2° | 109.5° |
| C8 | C9 | H4 | 110.4° | 109.5° |
| C8 | C9 | H5 | 110.4° | 109.5° |
| N | C9 | H4 | 110.4° | 109.4° |
| N | C9 | H5 | 110.4° | 109.5° |
| C9 | N | H13 | 109.5° | 111.0° |
| C9 | N | H14 | 109.5° | 111.0° |
| C7 | C8 | O1 | 115.8° | 109.5° |
| C8 | C7 | H1 | 110.3° | 109.4° |
| C8 | C7 | H2 | 110.3° | 109.5° |
| C7 | C8 | H3 | 107.9° | 109.5° |
| O1 | C8 | H3 | 110.0° | 109.5° |
| C8 | O1 | H6 | 109.5° | 114.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
| H13 | N | H14 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 178.4° | 179.7° |
| C | C1 | C2 | C3 | 177.6° | 179.7° |
| C | C1 | C6 | CL | 4.6° | 0.3° |
| C | C1 | C6 | C5 | 177.9° | 179.7° |
| C | C1 | C2 | H9 | 2.4° | 0.4° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | C3 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | O | 177.6° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C2 | C1 | C6 | CL | 177.1° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C | H10 | 89.2° | 90.3° |
| C2 | C1 | C | H11 | 150.8° | 29.7° |
| C2 | C1 | C | H12 | 30.8° | 149.7° |
| C3 | C2 | C1 | C6 | 0.7° | 0.1° |
| C2 | C3 | O | C4 | 178.4° | 180.0° |
| C2 | C3 | O | C7 | 118.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H8 | 179.2° | 180.0° |
| C1 | C6 | CL | C5 | 177.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | H7 | 179.7° | 180.0° |
| C6 | C1 | C2 | H9 | 179.3° | 180.0° |
| C6 | C1 | C | H10 | 89.1° | 90.0° |
| C6 | C1 | C | H11 | 30.9° | 150.0° |
| C6 | C1 | C | H12 | 150.9° | 30.0° |
| O | C3 | C4 | C5 | 177.6° | 180.0° |
| C3 | O | C7 | C8 | 173.6° | 180.0° |
| C3 | O | C7 | H1 | 54.1° | 60.0° |
| C3 | O | C7 | H2 | 66.8° | 60.0° |
| O | C3 | C4 | H8 | 2.4° | 0.0° |
| O | C3 | C2 | H9 | 2.4° | 0.0° |
| C4 | C3 | O | C7 | 60.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | H7 | 179.5° | 180.0° |
| C4 | C3 | C2 | H9 | 179.1° | 180.0° |
| O | C7 | C8 | C9 | 71.6° | 175.0° |
| O | C7 | C8 | H1 | 119.5° | 120.0° |
| O | C7 | C8 | H2 | 119.5° | 120.0° |
| O | C7 | C8 | O1 | 169.2° | 65.0° |
| O | C7 | H1 | H2 | 121.4° | 120.0° |
| O | C7 | C8 | H3 | 45.4° | 55.0° |
| CL | C6 | C5 | C4 | 177.2° | 180.0° |
| CL | C6 | C5 | H7 | 2.7° | 0.1° |
| C6 | C5 | C4 | H7 | 180.0° | 179.9° |
| C6 | C5 | C4 | H8 | 179.5° | 180.0° |
| C8 | C9 | N | H4 | 119.4° | 120.0° |
| C8 | C9 | N | H5 | 119.4° | 120.0° |
| C9 | C8 | C7 | O1 | 119.3° | 120.0° |
| C9 | C8 | C7 | H3 | 116.9° | 120.0° |
| C9 | C8 | O1 | H3 | 116.9° | 120.0° |
| C9 | C8 | C7 | H1 | 48.0° | 64.9° |
| C9 | C8 | C7 | H2 | 168.9° | 55.0° |
| C8 | C9 | H4 | H5 | 121.7° | 120.1° |
| C9 | C8 | O1 | H6 | 180.0° | 60.0° |
| C8 | C9 | N | H13 | 180.0° | 56.1° |
| C8 | C9 | N | H14 | 60.0° | 179.9° |
| N | C9 | C8 | C7 | 73.2° | 175.0° |
| N | C9 | C8 | O1 | 51.9° | 65.0° |
| N | C9 | C8 | H3 | 170.0° | 55.0° |
| N | C9 | H4 | H5 | 121.7° | 120.0° |
| C9 | N | H13 | H14 | 120.0° | 123.9° |
| C7 | C8 | O1 | H3 | 122.7° | 120.1° |
| C8 | C7 | H1 | H2 | 121.4° | 120.0° |
| C7 | C8 | C9 | H4 | 167.3° | 55.1° |
| C7 | C8 | C9 | H5 | 46.2° | 65.0° |
| C7 | C8 | O1 | H6 | 59.5° | 59.9° |
| O1 | C8 | C7 | H1 | 71.3° | 55.0° |
| O1 | C8 | C7 | H2 | 49.7° | 175.0° |
| O1 | C8 | C9 | H4 | 67.5° | 175.1° |
| O1 | C8 | C9 | H5 | 171.3° | 55.0° |
| H1 | C7 | C8 | H3 | 164.9° | 175.0° |
| H2 | C7 | C8 | H3 | 74.1° | 65.0° |
| H3 | C8 | C9 | H4 | 50.6° | 65.0° |
| H3 | C8 | C9 | H5 | 70.6° | 175.0° |
| H3 | C8 | O1 | H6 | 63.1° | 180.0° |
| H4 | C9 | N | H13 | 60.6° | 63.9° |
| H4 | C9 | N | H14 | 179.4° | 60.0° |
| H5 | C9 | N | H13 | 60.6° | 176.1° |
| H5 | C9 | N | H14 | 59.5° | 60.1° |
| H7 | C5 | C4 | H8 | 0.5° | 0.1° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
