W4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| O | C2 | doub | 1.21Å | 1.20Å | |
| C2 | N | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.50Å | |
| C4 | N1 | sing | 1.47Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.57Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| C7 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | CL | sing | 1.74Å | 1.65Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 108.2° | 109.4° |
| C | C1 | H4 | 109.8° | 109.5° |
| C | C1 | H5 | 109.8° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.4° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | N | C2 | 119.7° | 120.0° |
| N | C1 | H4 | 109.8° | 109.5° |
| N | C1 | H5 | 109.8° | 109.5° |
| C1 | N | H16 | 120.1° | 120.0° |
| O | C2 | N | 124.9° | 120.0° |
| O | C2 | C3 | 117.7° | 120.0° |
| N | C2 | C3 | 117.4° | 120.1° |
| C2 | N | H16 | 120.1° | 120.0° |
| C2 | C3 | N1 | 105.7° | 109.5° |
| C2 | C3 | H13 | 110.4° | 109.4° |
| C2 | C3 | H14 | 110.4° | 109.5° |
| C5 | C4 | N1 | 109.1° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C5 | C4 | H11 | 109.6° | 109.5° |
| C5 | C4 | H12 | 109.6° | 109.5° |
| C3 | N1 | C4 | 113.0° | 111.0° |
| C3 | N1 | C6 | 112.7° | 111.0° |
| N1 | C3 | H13 | 110.4° | 109.4° |
| N1 | C3 | H14 | 110.4° | 109.5° |
| C4 | N1 | C6 | 110.8° | 111.0° |
| N1 | C4 | H11 | 109.6° | 109.5° |
| N1 | C4 | H12 | 109.6° | 109.5° |
| N1 | C6 | C7 | 102.4° | 109.4° |
| N1 | C6 | H9 | 111.2° | 109.5° |
| N1 | C6 | H10 | 111.2° | 109.4° |
| C6 | C7 | C8 | 120.8° | 120.4° |
| C6 | C7 | C11 | 121.1° | 120.4° |
| C7 | C6 | H9 | 111.2° | 109.5° |
| C7 | C6 | H10 | 111.2° | 109.5° |
| C7 | C8 | C9 | 120.2° | 118.4° |
| C8 | C7 | C11 | 118.1° | 119.2° |
| C7 | C8 | H2 | 119.9° | 120.8° |
| C8 | C9 | C10 | 116.2° | 119.1° |
| C9 | C8 | H2 | 119.9° | 120.8° |
| C8 | C9 | H3 | 121.9° | 120.4° |
| C7 | C11 | N2 | 123.6° | 120.7° |
| C7 | C11 | H15 | 118.2° | 119.7° |
| C9 | C10 | N2 | 126.0° | 120.8° |
| C9 | C10 | CL | 118.8° | 119.6° |
| C10 | C9 | H3 | 121.9° | 120.5° |
| C11 | N2 | C10 | 115.9° | 121.7° |
| N2 | C11 | H15 | 118.2° | 119.6° |
| N2 | C10 | CL | 115.2° | 119.6° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.4° |
| H13 | C3 | H14 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.5° |
| H17 | C | H19 | 109.4° | 109.4° |
| H18 | C | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H4 | 119.8° | 120.0° |
| C | C1 | N | H5 | 119.8° | 120.0° |
| C | C1 | N | C2 | 48.3° | 179.9° |
| C | C1 | H4 | H5 | 120.5° | 120.0° |
| C | C1 | N | H16 | 131.7° | 0.0° |
| C1 | C | H17 | H18 | 120.0° | 120.1° |
| C1 | C | H17 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | N | C2 | O | 1.1° | 0.1° |
| C1 | N | C2 | H16 | 180.0° | 180.0° |
| C1 | N | C2 | C3 | 179.8° | 180.0° |
| N | C1 | H4 | H5 | 120.6° | 120.0° |
| N | C1 | C | H17 | 180.0° | 180.0° |
| N | C1 | C | H18 | 60.0° | 60.0° |
| N | C1 | C | H19 | 60.0° | 60.0° |
| O | C2 | N | C3 | 179.1° | 179.9° |
| O | C2 | C3 | N1 | 146.7° | 5.4° |
| O | C2 | C3 | H13 | 93.9° | 114.6° |
| O | C2 | C3 | H14 | 27.3° | 125.5° |
| O | C2 | N | H16 | 178.9° | 180.0° |
| N | C2 | C3 | N1 | 32.5° | 174.5° |
| C2 | N | C1 | H4 | 71.5° | 60.1° |
| C2 | N | C1 | H5 | 168.1° | 60.0° |
| N | C2 | C3 | H13 | 86.9° | 65.5° |
| N | C2 | C3 | H14 | 151.9° | 54.4° |
| C2 | C3 | N1 | H13 | 119.4° | 119.9° |
| C2 | C3 | N1 | H14 | 119.4° | 120.1° |
| C2 | C3 | N1 | C4 | 66.3° | 160.4° |
| C2 | C3 | N1 | C6 | 167.1° | 75.7° |
| C2 | C3 | H13 | H14 | 121.8° | 120.0° |
| C3 | C2 | N | H16 | 0.2° | 0.1° |
| C5 | C4 | N1 | C3 | 115.2° | 70.3° |
| C5 | C4 | N1 | H11 | 119.9° | 120.0° |
| C5 | C4 | N1 | H12 | 119.9° | 120.0° |
| C5 | C4 | N1 | C6 | 117.2° | 165.7° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C5 | C4 | H11 | H12 | 120.2° | 120.0° |
| C3 | N1 | C4 | C6 | 127.6° | 124.0° |
| C3 | N1 | C6 | C7 | 94.7° | 170.0° |
| C3 | N1 | C6 | H9 | 24.2° | 50.0° |
| C3 | N1 | C6 | H10 | 146.5° | 70.0° |
| C3 | N1 | C4 | H11 | 4.7° | 169.7° |
| C3 | N1 | C4 | H12 | 124.9° | 49.7° |
| N1 | C3 | H13 | H14 | 121.7° | 120.0° |
| C4 | N1 | C6 | C7 | 137.6° | 66.0° |
| N1 | C4 | C5 | H6 | 180.0° | 65.8° |
| N1 | C4 | C5 | H7 | 60.0° | 54.2° |
| N1 | C4 | C5 | H8 | 60.0° | 174.2° |
| C4 | N1 | C6 | H9 | 103.5° | 173.9° |
| C4 | N1 | C6 | H10 | 18.8° | 54.0° |
| N1 | C4 | H11 | H12 | 120.2° | 120.0° |
| C4 | N1 | C3 | H13 | 174.3° | 40.4° |
| C4 | N1 | C3 | H14 | 53.1° | 79.5° |
| N1 | C6 | C7 | H9 | 118.8° | 120.0° |
| N1 | C6 | C7 | H10 | 118.8° | 120.0° |
| N1 | C6 | C7 | C8 | 27.8° | 90.3° |
| N1 | C6 | C7 | C11 | 151.5° | 90.0° |
| N1 | C6 | H9 | H10 | 123.3° | 120.0° |
| C6 | N1 | C4 | H11 | 122.8° | 45.7° |
| C6 | N1 | C4 | H12 | 2.7° | 74.2° |
| C6 | N1 | C3 | H13 | 47.7° | 164.4° |
| C6 | N1 | C3 | H14 | 73.5° | 44.4° |
| C6 | C7 | C8 | C11 | 179.4° | 179.7° |
| C6 | C7 | C8 | C9 | 178.8° | 179.7° |
| C6 | C7 | C11 | N2 | 178.5° | 179.7° |
| C6 | C7 | C8 | H2 | 1.1° | 0.2° |
| C7 | C6 | H9 | H10 | 123.3° | 120.0° |
| C6 | C7 | C11 | H15 | 1.5° | 0.3° |
| C7 | C8 | C9 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C11 | N2 | 0.8° | 0.0° |
| C7 | C8 | C9 | H3 | 179.9° | 179.9° |
| C8 | C7 | C6 | H9 | 146.7° | 149.7° |
| C8 | C7 | C6 | H10 | 91.0° | 29.7° |
| C8 | C7 | C11 | H15 | 179.2° | 180.0° |
| C9 | C8 | C7 | C11 | 0.5° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | N2 | 0.6° | 0.1° |
| C8 | C9 | C10 | CL | 178.5° | 180.0° |
| C7 | C11 | N2 | H15 | 180.0° | 180.0° |
| C7 | C11 | N2 | C10 | 0.4° | 0.0° |
| C11 | C7 | C8 | H2 | 179.5° | 179.9° |
| C11 | C7 | C6 | H9 | 32.7° | 30.0° |
| C11 | C7 | C6 | H10 | 89.7° | 150.0° |
| C9 | C10 | N2 | C11 | 0.3° | 0.1° |
| C9 | C10 | N2 | CL | 179.1° | 179.9° |
| C10 | C9 | C8 | H2 | 179.8° | 179.9° |
| C11 | N2 | C10 | CL | 178.8° | 180.0° |
| N2 | C10 | C9 | H3 | 179.4° | 180.0° |
| C10 | N2 | C11 | H15 | 179.6° | 180.0° |
| CL | C10 | C9 | H3 | 1.5° | 0.1° |
| H2 | C8 | C9 | H3 | 0.2° | 0.0° |
| H4 | C1 | N | H16 | 108.5° | 120.0° |
| H4 | C1 | C | H17 | 60.2° | 60.0° |
| H4 | C1 | C | H18 | 59.9° | 180.0° |
| H4 | C1 | C | H19 | 179.9° | 59.9° |
| H5 | C1 | N | H16 | 11.9° | 120.0° |
| H5 | C1 | C | H17 | 60.2° | 60.0° |
| H5 | C1 | C | H18 | 179.8° | 60.0° |
| H5 | C1 | C | H19 | 59.8° | 180.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H6 | C5 | C4 | H11 | 60.1° | 174.1° |
| H6 | C5 | C4 | H12 | 60.1° | 54.2° |
| H7 | C5 | C4 | H11 | 59.9° | 65.9° |
| H7 | C5 | C4 | H12 | 179.9° | 174.2° |
| H8 | C5 | C4 | H11 | 179.9° | 54.1° |
| H8 | C5 | C4 | H12 | 59.9° | 65.8° |
| H17 | C | H18 | H19 | 120.0° | 119.9° |
