EQW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C11 | sing | 1.43Å | 1.44Å | |
| O10 | C9 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C5 | sing | 1.39Å | 1.35Å | |
| C5 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O10 | C9 | 110.5° | 114.1° |
| O10 | C11 | C12 | 111.3° | 109.4° |
| O10 | C11 | H23 | 109.0° | 109.5° |
| O10 | C11 | H22 | 109.0° | 109.5° |
| O10 | C9 | C8 | 111.5° | 109.4° |
| O10 | C9 | H20 | 109.0° | 109.5° |
| O10 | C9 | H21 | 109.0° | 109.5° |
| C11 | C12 | C7 | 110.7° | 109.1° |
| C12 | C11 | H23 | 109.0° | 109.4° |
| C12 | C11 | H22 | 109.0° | 109.5° |
| C11 | C12 | H24 | 109.2° | 109.5° |
| C11 | C12 | H25 | 109.2° | 109.5° |
| C12 | C7 | C8 | 110.5° | 109.1° |
| C12 | C7 | N6 | 112.2° | 109.5° |
| C12 | C7 | H17 | 108.0° | 109.5° |
| C7 | C12 | H24 | 109.2° | 109.5° |
| C7 | C12 | H25 | 109.2° | 109.5° |
| C9 | C8 | C7 | 110.1° | 109.2° |
| C9 | C8 | H18 | 109.3° | 109.5° |
| C9 | C8 | H19 | 109.3° | 109.6° |
| C8 | C9 | H20 | 109.0° | 109.5° |
| C8 | C9 | H21 | 109.0° | 109.4° |
| C8 | C7 | N6 | 109.1° | 109.5° |
| C8 | C7 | H17 | 108.1° | 109.5° |
| C7 | C8 | H18 | 109.3° | 109.5° |
| C7 | C8 | H19 | 109.3° | 109.5° |
| C7 | N6 | C5 | 124.7° | 120.0° |
| N6 | C7 | H17 | 108.8° | 109.6° |
| C7 | N6 | H16 | 105.5° | 120.0° |
| N6 | C5 | N13 | 117.1° | 119.2° |
| N6 | C5 | N4 | 116.4° | 119.2° |
| C5 | N6 | H16 | 105.5° | 120.1° |
| N13 | C5 | N4 | 126.5° | 121.6° |
| C5 | N13 | C14 | 116.1° | 120.8° |
| C5 | N4 | C3 | 115.7° | 120.7° |
| N13 | C14 | C2 | 121.8° | 119.2° |
| N13 | C14 | H26 | 119.0° | 120.4° |
| N4 | C3 | C2 | 122.2° | 119.2° |
| N4 | C3 | H15 | 118.9° | 120.4° |
| C14 | C2 | C3 | 117.8° | 118.5° |
| C14 | C2 | CL1 | 121.0° | 120.8° |
| C2 | C14 | H26 | 119.1° | 120.4° |
| C3 | C2 | CL1 | 121.2° | 120.7° |
| C2 | C3 | H15 | 118.9° | 120.4° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H23 | C11 | H22 | 109.5° | 109.6° |
| H24 | C12 | H25 | 109.4° | 109.6° |
| H20 | C9 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C11 | C12 | H23 | 120.3° | 120.0° |
| O10 | C11 | C12 | H22 | 120.3° | 119.9° |
| O10 | C11 | C12 | C7 | 55.1° | 57.6° |
| C11 | O10 | C9 | C8 | 62.4° | 61.3° |
| O10 | C11 | H23 | H22 | 119.1° | 120.1° |
| O10 | C11 | C12 | H24 | 175.3° | 62.3° |
| O10 | C11 | C12 | H25 | 65.1° | 177.5° |
| C11 | O10 | C9 | H20 | 177.3° | 58.7° |
| C11 | O10 | C9 | H21 | 57.9° | 178.8° |
| C9 | O10 | C11 | C12 | 60.7° | 61.2° |
| O10 | C9 | C8 | H20 | 120.3° | 120.0° |
| O10 | C9 | C8 | H21 | 120.3° | 120.0° |
| O10 | C9 | C8 | C7 | 58.1° | 57.6° |
| O10 | C9 | C8 | H18 | 62.0° | 177.5° |
| O10 | C9 | C8 | H19 | 178.2° | 62.3° |
| C9 | O10 | C11 | H23 | 59.5° | 178.8° |
| C9 | O10 | C11 | H22 | 179.0° | 58.7° |
| O10 | C9 | H20 | H21 | 119.1° | 120.1° |
| C11 | C12 | C7 | H24 | 120.2° | 119.9° |
| C11 | C12 | C7 | H25 | 120.2° | 119.9° |
| C11 | C12 | C7 | C8 | 50.8° | 56.9° |
| C11 | C12 | C7 | N6 | 172.8° | 176.8° |
| C11 | C12 | C7 | H17 | 67.3° | 62.9° |
| C12 | C11 | H23 | H22 | 119.2° | 120.1° |
| C11 | C12 | H24 | H25 | 119.4° | 120.2° |
| C12 | C7 | C8 | C9 | 51.9° | 57.0° |
| C12 | C7 | C8 | N6 | 123.9° | 119.9° |
| C12 | C7 | C8 | H17 | 118.0° | 119.9° |
| C12 | C7 | N6 | H17 | 119.4° | 120.2° |
| C12 | C7 | N6 | C5 | 72.4° | 85.2° |
| C12 | C7 | C8 | H18 | 68.2° | 176.8° |
| C12 | C7 | C8 | H19 | 172.0° | 63.1° |
| C7 | C12 | C11 | H23 | 65.2° | 177.5° |
| C7 | C12 | C11 | H22 | 175.4° | 62.4° |
| C7 | C12 | H24 | H25 | 119.4° | 120.2° |
| C12 | C7 | N6 | H16 | 49.6° | 94.8° |
| C9 | C8 | C7 | H18 | 120.1° | 119.9° |
| C9 | C8 | C7 | H19 | 120.1° | 120.1° |
| C9 | C8 | C7 | N6 | 175.7° | 176.9° |
| C9 | C8 | C7 | H17 | 66.1° | 62.9° |
| C9 | C8 | H18 | H19 | 119.7° | 120.3° |
| C8 | C9 | H20 | H21 | 119.1° | 120.0° |
| C8 | C7 | N6 | H17 | 117.8° | 120.2° |
| C8 | C7 | N6 | C5 | 164.8° | 155.2° |
| C7 | C8 | H18 | H19 | 119.7° | 120.1° |
| C8 | C7 | C12 | H24 | 171.0° | 62.9° |
| C8 | C7 | C12 | H25 | 69.4° | 176.8° |
| C8 | C7 | N6 | H16 | 73.2° | 24.8° |
| C7 | C8 | C9 | H20 | 178.4° | 62.4° |
| C7 | C8 | C9 | H21 | 62.2° | 177.6° |
| C7 | N6 | C5 | H16 | 122.0° | 180.0° |
| C7 | N6 | C5 | N13 | 10.2° | 180.0° |
| C7 | N6 | C5 | N4 | 170.5° | 0.2° |
| N6 | C7 | C8 | H18 | 55.6° | 63.3° |
| N6 | C7 | C8 | H19 | 64.2° | 56.8° |
| N6 | C7 | C12 | H24 | 67.0° | 57.0° |
| N6 | C7 | C12 | H25 | 52.6° | 63.3° |
| N6 | C5 | N13 | N4 | 179.2° | 179.8° |
| N6 | C5 | N13 | C14 | 179.7° | 180.0° |
| N6 | C5 | N4 | C3 | 179.4° | 179.8° |
| C5 | N6 | C7 | H17 | 47.0° | 35.0° |
| N13 | C5 | N4 | C3 | 0.1° | 0.0° |
| C5 | N13 | C14 | C2 | 0.6° | 0.5° |
| C5 | N13 | C14 | H26 | 179.4° | 179.8° |
| N13 | C5 | N6 | H16 | 132.2° | 0.0° |
| N4 | C5 | N13 | C14 | 0.5° | 0.3° |
| C5 | N4 | C3 | C2 | 0.1° | 0.0° |
| C5 | N4 | C3 | H15 | 179.9° | 180.0° |
| N4 | C5 | N6 | H16 | 48.5° | 179.7° |
| N13 | C14 | C2 | H26 | 180.0° | 179.7° |
| N13 | C14 | C2 | C3 | 0.4° | 0.5° |
| N13 | C14 | C2 | CL1 | 179.8° | 179.8° |
| N4 | C3 | C2 | C14 | 0.0° | 0.3° |
| N4 | C3 | C2 | H15 | 180.0° | 180.0° |
| N4 | C3 | C2 | CL1 | 179.5° | 180.0° |
| C14 | C2 | C3 | CL1 | 179.4° | 179.7° |
| C14 | C2 | C3 | H15 | 179.9° | 179.8° |
| C3 | C2 | C14 | H26 | 179.6° | 179.8° |
| CL1 | C2 | C3 | H15 | 0.5° | 0.1° |
| CL1 | C2 | C14 | H26 | 0.2° | 0.1° |
| H17 | C7 | C8 | H18 | 173.8° | 57.0° |
| H17 | C7 | C8 | H19 | 54.0° | 177.1° |
| H17 | C7 | C12 | H24 | 52.9° | 177.2° |
| H17 | C7 | C12 | H25 | 172.5° | 57.0° |
| H17 | C7 | N6 | H16 | 169.1° | 145.0° |
| H18 | C8 | C9 | H20 | 58.4° | 57.5° |
| H18 | C8 | C9 | H21 | 177.7° | 62.5° |
| H19 | C8 | C9 | H20 | 61.5° | 177.6° |
| H19 | C8 | C9 | H21 | 57.9° | 57.6° |
| H23 | C11 | C12 | H24 | 55.0° | 57.7° |
| H23 | C11 | C12 | H25 | 174.6° | 62.6° |
| H22 | C11 | C12 | H24 | 64.4° | 177.8° |
| H22 | C11 | C12 | H25 | 55.2° | 57.5° |
