WD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C11 | C1 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.74Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C10 | C11 | 112.6° | 109.5° |
| C10 | N1 | C9 | 110.4° | 111.3° |
| C10 | N1 | H10 | 109.2° | 111.0° |
| N1 | C10 | H12 | 108.7° | 109.5° |
| N1 | C10 | H13 | 108.7° | 109.4° |
| C10 | C11 | C1 | 113.3° | 109.3° |
| C11 | C10 | H12 | 108.7° | 109.5° |
| C11 | C10 | H13 | 108.7° | 109.4° |
| C10 | C11 | H14 | 108.5° | 109.5° |
| C10 | C11 | H15 | 108.5° | 109.5° |
| N1 | C9 | C8 | 110.1° | 109.5° |
| N1 | C9 | H8 | 109.3° | 109.5° |
| N1 | C9 | H9 | 109.3° | 109.4° |
| C9 | N1 | H10 | 109.2° | 111.0° |
| C11 | C1 | O1 | 109.2° | 109.6° |
| C11 | C1 | C8 | 109.1° | 109.2° |
| C11 | C1 | C2 | 109.3° | 109.6° |
| C1 | C11 | H14 | 108.5° | 109.5° |
| C1 | C11 | H15 | 108.5° | 109.5° |
| C9 | C8 | C1 | 110.8° | 109.3° |
| C9 | C8 | H6 | 109.1° | 109.5° |
| C9 | C8 | H7 | 109.2° | 109.5° |
| C8 | C9 | H8 | 109.3° | 109.5° |
| C8 | C9 | H9 | 109.3° | 109.5° |
| O1 | C1 | C8 | 107.6° | 109.5° |
| O1 | C1 | C2 | 111.2° | 109.5° |
| C1 | O1 | H1 | 109.5° | 113.9° |
| C8 | C1 | C2 | 110.4° | 109.5° |
| C1 | C8 | H6 | 109.1° | 109.5° |
| C1 | C8 | H7 | 109.1° | 109.5° |
| C1 | C2 | C7 | 119.7° | 119.9° |
| C1 | C2 | C3 | 122.6° | 120.0° |
| C7 | C2 | C3 | 117.6° | 120.1° |
| C2 | C7 | C6 | 121.6° | 120.0° |
| C2 | C7 | H5 | 119.2° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | H4 | 120.4° | 120.0° |
| C6 | C7 | H5 | 119.2° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C6 | C5 | CL1 | 117.9° | 120.0° |
| C5 | C6 | H4 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C4 | C3 | H2 | 119.5° | 120.0° |
| C3 | C4 | H3 | 120.4° | 120.0° |
| C4 | C5 | CL1 | 120.8° | 120.0° |
| C5 | C4 | H3 | 120.3° | 120.1° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C10 | C11 | H12 | 120.5° | 120.1° |
| N1 | C10 | C11 | H13 | 120.5° | 119.9° |
| C10 | N1 | C9 | H10 | 120.2° | 124.1° |
| N1 | C10 | C11 | C1 | 50.7° | 59.1° |
| C10 | N1 | C9 | C8 | 62.2° | 61.7° |
| C10 | N1 | C9 | H8 | 57.9° | 178.2° |
| C10 | N1 | C9 | H9 | 177.7° | 58.3° |
| N1 | C10 | H12 | H13 | 118.5° | 120.0° |
| N1 | C10 | C11 | H14 | 69.8° | 179.1° |
| N1 | C10 | C11 | H15 | 171.3° | 60.8° |
| C11 | C10 | N1 | C9 | 56.8° | 61.7° |
| C10 | C11 | C1 | H14 | 120.6° | 120.0° |
| C10 | C11 | C1 | H15 | 120.6° | 120.0° |
| C10 | C11 | C1 | O1 | 69.1° | 62.3° |
| C10 | C11 | C1 | C8 | 48.2° | 57.6° |
| C10 | C11 | C1 | C2 | 169.0° | 177.5° |
| C11 | C10 | N1 | H10 | 176.9° | 174.2° |
| C11 | C10 | H12 | H13 | 118.6° | 119.9° |
| C10 | C11 | H14 | H15 | 118.3° | 120.0° |
| N1 | C9 | C8 | H8 | 120.1° | 120.1° |
| N1 | C9 | C8 | H9 | 120.1° | 120.0° |
| N1 | C9 | C8 | C1 | 61.6° | 59.1° |
| N1 | C9 | C8 | H6 | 178.2° | 60.8° |
| N1 | C9 | C8 | H7 | 58.6° | 179.1° |
| N1 | C9 | H8 | H9 | 119.7° | 119.9° |
| C9 | N1 | C10 | H12 | 177.2° | 178.2° |
| C9 | N1 | C10 | H13 | 63.7° | 58.3° |
| C11 | C1 | C8 | C9 | 53.4° | 57.6° |
| C11 | C1 | O1 | C8 | 118.3° | 119.7° |
| C11 | C1 | O1 | C2 | 120.7° | 120.2° |
| C11 | C1 | C8 | C2 | 120.1° | 119.9° |
| C11 | C1 | C2 | C7 | 47.9° | 90.3° |
| C11 | C1 | C2 | C3 | 130.6° | 89.4° |
| C11 | C1 | O1 | H1 | 180.0° | 60.3° |
| C11 | C1 | C8 | H6 | 173.6° | 62.3° |
| C11 | C1 | C8 | H7 | 66.8° | 177.6° |
| C1 | C11 | C10 | H12 | 171.2° | 179.2° |
| C1 | C11 | C10 | H13 | 69.7° | 60.8° |
| C1 | C11 | H14 | H15 | 118.2° | 120.1° |
| C9 | C8 | C1 | O1 | 65.0° | 62.3° |
| C9 | C8 | C1 | H6 | 120.2° | 119.9° |
| C9 | C8 | C1 | H7 | 120.2° | 120.0° |
| C9 | C8 | C1 | C2 | 173.5° | 177.6° |
| C9 | C8 | H6 | H7 | 119.4° | 120.1° |
| C8 | C9 | H8 | H9 | 119.7° | 120.0° |
| C8 | C9 | N1 | H10 | 177.7° | 174.1° |
| O1 | C1 | C8 | C2 | 121.5° | 120.1° |
| O1 | C1 | C2 | C7 | 168.6° | 29.9° |
| O1 | C1 | C2 | C3 | 9.9° | 150.4° |
| O1 | C1 | C8 | H6 | 55.2° | 177.7° |
| O1 | C1 | C8 | H7 | 174.8° | 57.6° |
| O1 | C1 | C11 | H14 | 170.3° | 57.7° |
| O1 | C1 | C11 | H15 | 51.4° | 177.8° |
| C8 | C1 | C2 | C7 | 72.1° | 150.0° |
| C8 | C1 | C2 | C3 | 109.5° | 30.3° |
| C8 | C1 | O1 | H1 | 61.7° | 180.0° |
| C1 | C8 | H6 | H7 | 119.3° | 120.1° |
| C1 | C8 | C9 | H8 | 58.5° | 179.2° |
| C1 | C8 | C9 | H9 | 178.4° | 60.9° |
| C8 | C1 | C11 | H14 | 72.3° | 177.6° |
| C8 | C1 | C11 | H15 | 168.8° | 62.3° |
| C1 | C2 | C7 | C3 | 178.5° | 179.7° |
| C1 | C2 | C7 | C6 | 178.6° | 179.8° |
| C1 | C2 | C3 | C4 | 178.6° | 180.0° |
| C2 | C1 | O1 | H1 | 59.3° | 59.9° |
| C1 | C2 | C3 | H2 | 1.4° | 0.0° |
| C1 | C2 | C7 | H5 | 1.4° | 0.0° |
| C2 | C1 | C8 | H6 | 66.3° | 57.6° |
| C2 | C1 | C8 | H7 | 53.3° | 62.4° |
| C2 | C1 | C11 | H14 | 48.4° | 62.5° |
| C2 | C1 | C11 | H15 | 70.4° | 57.6° |
| C2 | C7 | C6 | H5 | 180.0° | 179.8° |
| C2 | C7 | C6 | C5 | 0.6° | 0.5° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C7 | C2 | C3 | H2 | 179.9° | 179.7° |
| C2 | C7 | C6 | H4 | 179.4° | 179.7° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H3 | 179.5° | 179.9° |
| C3 | C2 | C7 | H5 | 179.9° | 179.7° |
| C7 | C6 | C5 | H4 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 1.2° | 0.2° |
| C7 | C6 | C5 | CL1 | 178.5° | 179.7° |
| C6 | C5 | C4 | C3 | 1.1° | 0.0° |
| C6 | C5 | C4 | CL1 | 179.7° | 179.9° |
| C6 | C5 | C4 | H3 | 178.9° | 180.0° |
| C5 | C6 | C7 | H5 | 179.4° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | CL1 | 178.6° | 180.0° |
| C5 | C4 | C3 | H2 | 179.5° | 180.0° |
| C4 | C5 | C6 | H4 | 178.8° | 180.0° |
| CL1 | C5 | C4 | H3 | 1.4° | 0.1° |
| CL1 | C5 | C6 | H4 | 1.5° | 0.1° |
| H2 | C3 | C4 | H3 | 0.5° | 0.1° |
| H4 | C6 | C7 | H5 | 0.6° | 0.1° |
| H6 | C8 | C9 | H8 | 61.7° | 59.3° |
| H6 | C8 | C9 | H9 | 58.2° | 179.2° |
| H7 | C8 | C9 | H8 | 178.7° | 60.8° |
| H7 | C8 | C9 | H9 | 61.4° | 59.1° |
| H8 | C9 | N1 | H10 | 62.3° | 54.1° |
| H9 | C9 | N1 | H10 | 57.6° | 65.9° |
| H10 | N1 | C10 | H12 | 62.6° | 54.1° |
| H10 | N1 | C10 | H13 | 56.4° | 65.9° |
| H12 | C10 | C11 | H14 | 50.6° | 60.8° |
| H12 | C10 | C11 | H15 | 68.2° | 59.3° |
| H13 | C10 | C11 | H14 | 169.7° | 59.2° |
| H13 | C10 | C11 | H15 | 50.8° | 179.2° |
