W4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.47Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.35Å | Aromatic |
| O1 | C4 | doub | 1.22Å | 1.20Å | |
| C8 | CL1 | sing | 1.74Å | 1.72Å | |
| C8 | C9 | doub | 1.38Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C5 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N | sing | 1.35Å | 1.39Å | |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | CL | sing | 1.74Å | 1.66Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| N | C1 | sing | 1.46Å | 1.47Å | |
| N | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| O | C3 | sing | 1.43Å | 1.37Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C7 | C6 | C5 | 118.3° | 119.9° |
| C6 | C7 | H1 | 120.0° | 119.9° |
| C7 | C6 | H5 | 120.8° | 120.0° |
| C7 | C8 | CL1 | 122.7° | 119.9° |
| C7 | C8 | C9 | 119.9° | 120.3° |
| C8 | C7 | H1 | 120.0° | 119.9° |
| C6 | C5 | C4 | 123.4° | 120.2° |
| C6 | C5 | C10 | 119.9° | 119.7° |
| C5 | C6 | H5 | 120.9° | 120.1° |
| O1 | C4 | C5 | 118.5° | 120.0° |
| O1 | C4 | N | 117.0° | 120.0° |
| CL1 | C8 | C9 | 116.6° | 119.8° |
| C8 | C9 | C10 | 116.7° | 120.1° |
| C8 | C9 | H2 | 121.7° | 119.9° |
| C4 | C5 | C10 | 116.7° | 120.1° |
| C5 | C4 | N | 124.5° | 120.0° |
| C5 | C10 | C9 | 125.2° | 119.8° |
| C5 | C10 | CL | 113.0° | 120.1° |
| C4 | N | C1 | 119.7° | 120.0° |
| C4 | N | C2 | 124.3° | 120.0° |
| C9 | C10 | CL | 121.7° | 120.1° |
| C10 | C9 | H2 | 121.7° | 120.0° |
| C | C1 | N | 112.6° | 109.5° |
| C | C1 | H3 | 108.7° | 109.5° |
| C | C1 | H4 | 108.7° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | N | C2 | 115.8° | 120.0° |
| N | C1 | H3 | 108.7° | 109.5° |
| N | C1 | H4 | 108.7° | 109.5° |
| N | C2 | C3 | 107.3° | 109.5° |
| N | C2 | H8 | 110.0° | 109.5° |
| N | C2 | H9 | 110.0° | 109.5° |
| C2 | C3 | O | 114.8° | 109.5° |
| C2 | C3 | H6 | 108.1° | 109.5° |
| C2 | C3 | H7 | 108.2° | 109.4° |
| C3 | C2 | H8 | 110.0° | 109.4° |
| C3 | C2 | H9 | 110.0° | 109.5° |
| O | C3 | H6 | 108.1° | 109.5° |
| O | C3 | H7 | 108.1° | 109.5° |
| C3 | O | H13 | 109.5° | 114.0° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.4° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H1 | 180.0° | 179.8° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | CL1 | 166.5° | 180.0° |
| C6 | C7 | C8 | C9 | 2.6° | 0.0° |
| C7 | C6 | C5 | C4 | 178.6° | 180.0° |
| C7 | C6 | C5 | C10 | 1.4° | 0.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | CL1 | C9 | 169.4° | 180.0° |
| C7 | C8 | C9 | C10 | 3.7° | 0.0° |
| C7 | C8 | C9 | H2 | 176.3° | 180.0° |
| C8 | C7 | C6 | H5 | 179.9° | 180.0° |
| C6 | C5 | C4 | O1 | 85.7° | 124.6° |
| C6 | C5 | C4 | C10 | 177.2° | 180.0° |
| C6 | C5 | C4 | N | 92.9° | 55.3° |
| C6 | C5 | C10 | C9 | 0.2° | 0.0° |
| C6 | C5 | C10 | CL | 176.3° | 180.0° |
| C5 | C6 | C7 | H1 | 179.9° | 179.8° |
| O1 | C4 | C5 | N | 178.6° | 179.9° |
| O1 | C4 | C5 | C10 | 91.6° | 55.4° |
| O1 | C4 | N | C1 | 4.1° | 5.5° |
| O1 | C4 | N | C2 | 171.5° | 174.5° |
| CL1 | C8 | C9 | C10 | 166.1° | 180.0° |
| CL1 | C8 | C7 | H1 | 13.5° | 0.2° |
| CL1 | C8 | C9 | H2 | 14.0° | 0.0° |
| C8 | C9 | C10 | C5 | 2.5° | 0.0° |
| C8 | C9 | C10 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | CL | 173.3° | 180.0° |
| C9 | C8 | C7 | H1 | 177.4° | 179.8° |
| C4 | C5 | C10 | C9 | 177.5° | 180.0° |
| C4 | C5 | C10 | CL | 6.4° | 0.0° |
| C5 | C4 | N | C1 | 177.3° | 174.4° |
| C5 | C4 | N | C2 | 7.2° | 5.6° |
| C4 | C5 | C6 | H5 | 1.4° | 0.0° |
| C10 | C5 | C4 | N | 89.8° | 124.6° |
| C5 | C10 | C9 | CL | 175.8° | 180.0° |
| C5 | C10 | C9 | H2 | 177.5° | 180.0° |
| C10 | C5 | C6 | H5 | 178.6° | 180.0° |
| C4 | N | C1 | C | 116.7° | 86.5° |
| C4 | N | C1 | C2 | 175.9° | 179.9° |
| C4 | N | C2 | C3 | 165.9° | 90.0° |
| C4 | N | C1 | H3 | 122.8° | 153.5° |
| C4 | N | C1 | H4 | 3.8° | 33.5° |
| C4 | N | C2 | H8 | 46.2° | 30.0° |
| C4 | N | C2 | H9 | 74.5° | 150.0° |
| CL | C10 | C9 | H2 | 6.7° | 0.0° |
| C | C1 | N | H3 | 120.5° | 120.0° |
| C | C1 | N | H4 | 120.5° | 120.0° |
| C | C1 | N | C2 | 59.2° | 93.6° |
| C | C1 | H3 | H4 | 118.6° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 119.9° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | N | C2 | C3 | 18.4° | 90.0° |
| N | C1 | H3 | H4 | 118.6° | 120.0° |
| C1 | N | C2 | H8 | 138.0° | 150.1° |
| C1 | N | C2 | H9 | 101.2° | 30.0° |
| N | C1 | C | H10 | 180.0° | 60.0° |
| N | C1 | C | H11 | 60.0° | 60.0° |
| N | C1 | C | H12 | 60.0° | 180.0° |
| N | C2 | C3 | H8 | 119.7° | 120.0° |
| N | C2 | C3 | H9 | 119.7° | 120.0° |
| N | C2 | C3 | O | 102.6° | 65.0° |
| C2 | N | C1 | H3 | 61.2° | 26.4° |
| C2 | N | C1 | H4 | 179.7° | 146.4° |
| N | C2 | C3 | H6 | 18.2° | 175.0° |
| N | C2 | C3 | H7 | 136.6° | 55.0° |
| N | C2 | H8 | H9 | 121.0° | 120.0° |
| C2 | C3 | O | H6 | 120.8° | 120.0° |
| C2 | C3 | O | H7 | 120.8° | 120.0° |
| C2 | C3 | H6 | H7 | 117.6° | 120.0° |
| C3 | C2 | H8 | H9 | 121.0° | 120.0° |
| C2 | C3 | O | H13 | 180.0° | 180.0° |
| O | C3 | H6 | H7 | 117.5° | 120.0° |
| O | C3 | C2 | H8 | 137.7° | 175.0° |
| O | C3 | C2 | H9 | 17.0° | 55.0° |
| H1 | C7 | C6 | H5 | 0.1° | 0.2° |
| H3 | C1 | C | H10 | 59.6° | 180.0° |
| H3 | C1 | C | H11 | 60.5° | 60.0° |
| H3 | C1 | C | H12 | 179.5° | 60.0° |
| H4 | C1 | C | H10 | 59.5° | 60.0° |
| H4 | C1 | C | H11 | 179.5° | 180.0° |
| H4 | C1 | C | H12 | 60.5° | 60.0° |
| H6 | C3 | C2 | H8 | 101.5° | 55.0° |
| H6 | C3 | C2 | H9 | 137.8° | 65.0° |
| H6 | C3 | O | H13 | 59.2° | 60.0° |
| H7 | C3 | C2 | H8 | 16.9° | 65.0° |
| H7 | C3 | C2 | H9 | 103.7° | 175.0° |
| H7 | C3 | O | H13 | 59.2° | 60.0° |
| H10 | C | H11 | H12 | 120.0° | 120.1° |
