7IY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C6 | sing | 1.74Å | 1.79Å | |
| C8 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N9 | sing | 1.40Å | 1.45Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| O7 | C3 | doub | 1.21Å | 1.19Å | |
| C5 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | N4 | sing | 1.40Å | 1.45Å | |
| C3 | N4 | sing | 1.35Å | 1.45Å | |
| C3 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å | |
| N9 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C6 | C8 | 120.6° | 120.0° |
| CL1 | C6 | C1 | 119.3° | 119.9° |
| C6 | C8 | C10 | 119.7° | 120.1° |
| C8 | C6 | C1 | 120.2° | 120.1° |
| C6 | C8 | H4 | 120.1° | 119.9° |
| C8 | C10 | C5 | 120.0° | 120.1° |
| C10 | C8 | H4 | 120.2° | 120.0° |
| C8 | C10 | H5 | 120.0° | 120.0° |
| C6 | C1 | N9 | 120.4° | 120.1° |
| C6 | C1 | C2 | 119.8° | 119.9° |
| C10 | C5 | C2 | 119.9° | 119.9° |
| C10 | C5 | N4 | 122.2° | 120.1° |
| C5 | C10 | H5 | 120.0° | 119.9° |
| N9 | C1 | C2 | 119.8° | 120.1° |
| C1 | N9 | H10 | 109.5° | 120.0° |
| C1 | N9 | H11 | 109.5° | 120.0° |
| C1 | C2 | C5 | 120.4° | 119.9° |
| C1 | C2 | H8 | 119.8° | 120.0° |
| O7 | C3 | N4 | 121.7° | 120.0° |
| O7 | C3 | C12 | 120.3° | 120.0° |
| C2 | C5 | N4 | 117.9° | 120.0° |
| C5 | C2 | H8 | 119.8° | 120.1° |
| C5 | N4 | C3 | 124.4° | 120.0° |
| C5 | N4 | H9 | 117.8° | 120.0° |
| N4 | C3 | C12 | 118.1° | 120.0° |
| C3 | N4 | H9 | 117.8° | 120.0° |
| C3 | C12 | O13 | 108.0° | 109.4° |
| C3 | C12 | H6 | 109.9° | 109.5° |
| C3 | C12 | H7 | 109.8° | 109.5° |
| C12 | O13 | C14 | 114.3° | 114.0° |
| O13 | C12 | H6 | 109.8° | 109.5° |
| O13 | C12 | H7 | 109.8° | 109.4° |
| O13 | C14 | H1 | 109.5° | 109.5° |
| O13 | C14 | H2 | 109.5° | 109.5° |
| O13 | C14 | H3 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H10 | N9 | H11 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C6 | C8 | C1 | 180.0° | 180.0° |
| CL1 | C6 | C8 | C10 | 180.0° | 179.7° |
| CL1 | C6 | C1 | N9 | 0.1° | 0.0° |
| CL1 | C6 | C1 | C2 | 179.8° | 179.5° |
| CL1 | C6 | C8 | H4 | 0.1° | 0.0° |
| C6 | C8 | C10 | H4 | 180.0° | 179.7° |
| C6 | C8 | C10 | C5 | 0.4° | 0.0° |
| C8 | C6 | C1 | N9 | 179.9° | 180.0° |
| C8 | C6 | C1 | C2 | 0.2° | 0.5° |
| C6 | C8 | C10 | H5 | 179.6° | 180.0° |
| C10 | C8 | C6 | C1 | 0.0° | 0.2° |
| C8 | C10 | C5 | H5 | 180.0° | 180.0° |
| C8 | C10 | C5 | C2 | 0.7° | 0.0° |
| C8 | C10 | C5 | N4 | 179.7° | 179.7° |
| C6 | C1 | N9 | C2 | 179.9° | 179.5° |
| C6 | C1 | C2 | C5 | 0.1° | 0.5° |
| C1 | C6 | C8 | H4 | 179.9° | 180.0° |
| C6 | C1 | C2 | H8 | 179.9° | 179.5° |
| C6 | C1 | N9 | H10 | 180.0° | 0.0° |
| C6 | C1 | N9 | H11 | 60.0° | 180.0° |
| C10 | C5 | C2 | C1 | 0.5° | 0.3° |
| C10 | C5 | C2 | N4 | 179.1° | 179.7° |
| C10 | C5 | N4 | C3 | 43.3° | 146.4° |
| C5 | C10 | C8 | H4 | 179.6° | 179.7° |
| C10 | C5 | C2 | H8 | 179.5° | 179.7° |
| C10 | C5 | N4 | H9 | 136.7° | 33.6° |
| N9 | C1 | C2 | C5 | 179.8° | 180.0° |
| N9 | C1 | C2 | H8 | 0.2° | 0.0° |
| C1 | N9 | H10 | H11 | 120.0° | 179.9° |
| C1 | C2 | C5 | H8 | 180.0° | 180.0° |
| C1 | C2 | C5 | N4 | 179.6° | 180.0° |
| C2 | C1 | N9 | H10 | 0.1° | 179.6° |
| C2 | C1 | N9 | H11 | 120.1° | 0.5° |
| O7 | C3 | N4 | C5 | 0.3° | 5.3° |
| O7 | C3 | N4 | C12 | 180.0° | 180.0° |
| O7 | C3 | C12 | O13 | 144.1° | 0.0° |
| O7 | C3 | C12 | H6 | 96.1° | 120.0° |
| O7 | C3 | C12 | H7 | 24.4° | 120.0° |
| O7 | C3 | N4 | H9 | 179.6° | 174.7° |
| C2 | C5 | N4 | C3 | 137.7° | 33.3° |
| C2 | C5 | C10 | H5 | 179.3° | 180.0° |
| C2 | C5 | N4 | H9 | 42.3° | 146.7° |
| C5 | N4 | C3 | H9 | 180.0° | 180.0° |
| C5 | N4 | C3 | C12 | 179.6° | 174.7° |
| N4 | C5 | C10 | H5 | 0.3° | 0.3° |
| N4 | C5 | C2 | H8 | 0.4° | 0.0° |
| N4 | C3 | C12 | O13 | 35.9° | 180.0° |
| N4 | C3 | C12 | H6 | 83.9° | 60.0° |
| N4 | C3 | C12 | H7 | 155.7° | 60.0° |
| C3 | C12 | O13 | H6 | 119.8° | 120.0° |
| C3 | C12 | O13 | H7 | 119.8° | 120.0° |
| C3 | C12 | O13 | C14 | 131.8° | 180.0° |
| C3 | C12 | H6 | H7 | 120.7° | 120.1° |
| C12 | C3 | N4 | H9 | 0.4° | 5.2° |
| C12 | O13 | C14 | H1 | 180.0° | 59.9° |
| C12 | O13 | C14 | H2 | 60.0° | 60.0° |
| C12 | O13 | C14 | H3 | 60.0° | 180.0° |
| O13 | C12 | H6 | H7 | 120.7° | 120.0° |
| O13 | C14 | H1 | H2 | 120.0° | 120.0° |
| O13 | C14 | H1 | H3 | 120.0° | 120.1° |
| O13 | C14 | H2 | H3 | 120.0° | 120.1° |
| C14 | O13 | C12 | H6 | 12.1° | 60.0° |
| C14 | O13 | C12 | H7 | 108.4° | 60.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H4 | C8 | C10 | H5 | 0.3° | 0.3° |
