EOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| O9 | C7 | doub | 1.22Å | 1.22Å | |
| C22 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | CL3 | sing | 1.74Å | 1.72Å | |
| C24 | N8 | sing | 1.47Å | 1.44Å | |
| C17 | C16 | sing | 1.48Å | 1.44Å | |
| C7 | N8 | sing | 1.35Å | 1.37Å | |
| C7 | C1 | sing | 1.48Å | 1.46Å | |
| C16 | N15 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | N13 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| N15 | N14 | sing | 1.29Å | 1.37Å | Aromatic |
| N13 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N13 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| N14 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N10 | sing | 1.35Å | 1.40Å | Aromatic |
| C11 | N10 | doub | 1.31Å | 1.29Å | Aromatic |
| C11 | C25 | sing | 1.51Å | 1.50Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 119.9° | 120.3° |
| C20 | C19 | C18 | 120.7° | 120.2° |
| C19 | C20 | H2 | 120.1° | 119.9° |
| C20 | C19 | H7 | 119.7° | 119.9° |
| C20 | C21 | C22 | 119.3° | 120.2° |
| C21 | C20 | H2 | 120.0° | 119.8° |
| C20 | C21 | H3 | 120.3° | 119.9° |
| C19 | C18 | C17 | 119.9° | 119.8° |
| C18 | C19 | H7 | 119.6° | 119.9° |
| C19 | C18 | H8 | 120.0° | 120.0° |
| C21 | C22 | C17 | 121.2° | 119.8° |
| C21 | C22 | CL3 | 116.7° | 120.1° |
| C22 | C21 | H3 | 120.3° | 120.0° |
| C18 | C17 | C22 | 118.9° | 119.8° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C17 | C18 | H8 | 120.1° | 120.1° |
| O9 | C7 | N8 | 126.5° | 120.0° |
| O9 | C7 | C1 | 120.4° | 120.0° |
| C17 | C22 | CL3 | 122.1° | 120.1° |
| C22 | C17 | C16 | 121.0° | 120.2° |
| C24 | N8 | C7 | 119.1° | 120.0° |
| N8 | C24 | H4 | 109.5° | 109.4° |
| N8 | C24 | H5 | 109.5° | 109.5° |
| N8 | C24 | H6 | 109.5° | 109.5° |
| C24 | N8 | H14 | 120.4° | 120.0° |
| C17 | C16 | N15 | 120.4° | 126.4° |
| C17 | C16 | N13 | 130.2° | 126.4° |
| N8 | C7 | C1 | 113.1° | 120.0° |
| C7 | N8 | H14 | 120.5° | 120.0° |
| C7 | C1 | C6 | 118.2° | 120.0° |
| C7 | C1 | C2 | 120.0° | 119.9° |
| N15 | C16 | N13 | 109.1° | 107.2° |
| C16 | N15 | N14 | 108.8° | 110.0° |
| C16 | N13 | C5 | 135.1° | 134.8° |
| C16 | N13 | C12 | 104.5° | 106.1° |
| C1 | C6 | C5 | 118.2° | 119.8° |
| C6 | C1 | C2 | 121.8° | 120.1° |
| C1 | C6 | H1 | 120.9° | 120.1° |
| C6 | C5 | N13 | 121.9° | 121.1° |
| C6 | C5 | C4 | 121.9° | 119.8° |
| C5 | C6 | H1 | 120.9° | 120.1° |
| C1 | C2 | C3 | 118.6° | 120.5° |
| C1 | C2 | H9 | 120.7° | 119.8° |
| N15 | N14 | C12 | 106.5° | 109.8° |
| C5 | N13 | C12 | 120.4° | 119.1° |
| N13 | C5 | C4 | 116.1° | 119.1° |
| N13 | C12 | N14 | 111.1° | 106.9° |
| N13 | C12 | C11 | 120.2° | 119.3° |
| C5 | C4 | C3 | 118.3° | 119.6° |
| C5 | C4 | N10 | 123.4° | 120.1° |
| C2 | C3 | C4 | 121.2° | 120.1° |
| C3 | C2 | H9 | 120.7° | 119.7° |
| C2 | C3 | H10 | 119.4° | 120.0° |
| N14 | C12 | C11 | 128.7° | 133.8° |
| C12 | C11 | N10 | 120.5° | 120.9° |
| C12 | C11 | C25 | 117.5° | 119.6° |
| C3 | C4 | N10 | 118.3° | 120.2° |
| C4 | C3 | H10 | 119.4° | 119.9° |
| C4 | N10 | C11 | 119.3° | 121.5° |
| N10 | C11 | C25 | 122.0° | 119.5° |
| C11 | C25 | H11 | 109.5° | 109.5° |
| C11 | C25 | H12 | 109.5° | 109.5° |
| C11 | C25 | H13 | 109.4° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.4° |
| H11 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H2 | 180.0° | 179.7° |
| C20 | C19 | C18 | H7 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.6° | 0.3° |
| C20 | C19 | C18 | C17 | 1.5° | 0.0° |
| C19 | C20 | C21 | H3 | 179.4° | 180.0° |
| C20 | C19 | C18 | H8 | 178.5° | 180.0° |
| C21 | C20 | C19 | C18 | 0.9° | 0.3° |
| C20 | C21 | C22 | H3 | 180.0° | 179.7° |
| C20 | C21 | C22 | C17 | 0.9° | 0.1° |
| C20 | C21 | C22 | CL3 | 179.7° | 180.0° |
| C21 | C20 | C19 | H7 | 179.1° | 180.0° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 1.7° | 0.3° |
| C19 | C18 | C17 | C16 | 177.8° | 180.0° |
| C18 | C19 | C20 | H2 | 179.1° | 180.0° |
| C21 | C22 | C17 | C18 | 1.4° | 0.2° |
| C21 | C22 | C17 | CL3 | 178.8° | 180.0° |
| C21 | C22 | C17 | C16 | 177.5° | 179.9° |
| C22 | C21 | C20 | H2 | 179.4° | 180.0° |
| C18 | C17 | C22 | C16 | 176.1° | 179.7° |
| C18 | C17 | C22 | CL3 | 179.8° | 179.7° |
| C18 | C17 | C16 | N15 | 65.3° | 89.9° |
| C18 | C17 | C16 | N13 | 121.6° | 90.2° |
| C17 | C18 | C19 | H7 | 178.5° | 179.7° |
| O9 | C7 | N8 | C24 | 1.4° | 0.0° |
| O9 | C7 | N8 | C1 | 178.4° | 180.0° |
| O9 | C7 | C1 | C6 | 24.2° | 0.0° |
| O9 | C7 | C1 | C2 | 155.4° | 179.8° |
| O9 | C7 | N8 | H14 | 178.6° | 179.9° |
| C22 | C17 | C16 | N15 | 110.7° | 89.8° |
| C22 | C17 | C16 | N13 | 62.4° | 90.1° |
| C17 | C22 | C21 | H3 | 179.1° | 179.7° |
| C22 | C17 | C18 | H8 | 178.3° | 179.7° |
| CL3 | C22 | C17 | C16 | 3.7° | 0.0° |
| CL3 | C22 | C21 | H3 | 0.3° | 0.3° |
| C24 | N8 | C7 | H14 | 180.0° | 179.9° |
| C24 | N8 | C7 | C1 | 179.8° | 180.0° |
| N8 | C24 | H4 | H5 | 120.0° | 120.0° |
| N8 | C24 | H4 | H6 | 120.0° | 120.0° |
| N8 | C24 | H5 | H6 | 120.0° | 120.0° |
| C17 | C16 | N15 | N13 | 174.5° | 179.9° |
| C17 | C16 | N15 | N14 | 174.7° | 179.9° |
| C17 | C16 | N13 | C5 | 7.9° | 0.1° |
| C17 | C16 | N13 | C12 | 173.7° | 179.9° |
| C16 | C17 | C18 | H8 | 2.2° | 0.0° |
| N8 | C7 | C1 | C6 | 154.4° | 180.0° |
| N8 | C7 | C1 | C2 | 26.1° | 0.2° |
| C7 | N8 | C24 | H4 | 180.0° | 60.0° |
| C7 | N8 | C24 | H5 | 60.0° | 60.0° |
| C7 | N8 | C24 | H6 | 60.0° | 180.0° |
| C7 | C1 | C6 | C2 | 179.6° | 179.8° |
| C7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C7 | C1 | C2 | C3 | 179.9° | 179.7° |
| C7 | C1 | C6 | H1 | 0.0° | 0.1° |
| C7 | C1 | C2 | H9 | 0.0° | 0.2° |
| C1 | C7 | N8 | H14 | 0.2° | 0.1° |
| N15 | C16 | N13 | C5 | 178.3° | 180.0° |
| N15 | C16 | N13 | C12 | 0.1° | 0.0° |
| C16 | N15 | N14 | C12 | 0.5° | 0.1° |
| C16 | N13 | C5 | C6 | 0.1° | 0.1° |
| N13 | C16 | N15 | N14 | 0.3° | 0.1° |
| C16 | N13 | C5 | C12 | 178.2° | 180.0° |
| C16 | N13 | C5 | C4 | 179.9° | 180.0° |
| C16 | N13 | C12 | N14 | 0.4° | 0.1° |
| C16 | N13 | C12 | C11 | 178.8° | 179.7° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | N13 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C1 | C2 | C3 | 0.4° | 0.5° |
| C6 | C1 | C2 | H9 | 179.6° | 179.9° |
| C5 | C6 | C1 | C2 | 0.4° | 0.2° |
| C6 | C5 | N13 | C4 | 179.8° | 179.9° |
| C6 | C5 | N13 | C12 | 178.4° | 179.9° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C4 | N10 | 179.9° | 179.7° |
| C1 | C2 | C3 | H9 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C2 | C1 | C6 | H1 | 179.6° | 179.7° |
| C1 | C2 | C3 | H10 | 179.9° | 179.5° |
| N15 | N14 | C12 | N13 | 0.6° | 0.1° |
| N15 | N14 | C12 | C11 | 178.5° | 179.7° |
| C5 | N13 | C12 | N14 | 178.3° | 179.9° |
| C5 | N13 | C12 | C11 | 2.5° | 0.3° |
| N13 | C5 | C4 | C3 | 179.1° | 180.0° |
| N13 | C5 | C4 | N10 | 0.1° | 0.3° |
| N13 | C5 | C6 | H1 | 0.3° | 0.1° |
| C12 | N13 | C5 | C4 | 1.8° | 0.0° |
| N13 | C12 | N14 | C11 | 179.1° | 179.8° |
| N13 | C12 | C11 | N10 | 1.4° | 0.3° |
| N13 | C12 | C11 | C25 | 178.3° | 179.7° |
| C5 | C4 | C3 | C2 | 0.6° | 0.2° |
| C5 | C4 | C3 | N10 | 179.3° | 179.7° |
| C5 | C4 | N10 | C11 | 1.0° | 0.2° |
| C4 | C5 | C6 | H1 | 179.9° | 179.9° |
| C5 | C4 | C3 | H10 | 179.4° | 179.8° |
| C2 | C3 | C4 | H10 | 180.0° | 180.0° |
| C2 | C3 | C4 | N10 | 179.9° | 180.0° |
| N14 | C12 | C11 | N10 | 179.5° | 180.0° |
| N14 | C12 | C11 | C25 | 0.7° | 0.0° |
| C12 | C11 | N10 | C4 | 0.4° | 0.0° |
| C12 | C11 | N10 | C25 | 179.7° | 180.0° |
| C12 | C11 | C25 | H11 | 179.7° | 90.0° |
| C12 | C11 | C25 | H12 | 60.3° | 150.0° |
| C12 | C11 | C25 | H13 | 59.7° | 30.0° |
| C3 | C4 | N10 | C11 | 179.8° | 180.0° |
| C4 | C3 | C2 | H9 | 179.9° | 180.0° |
| C4 | N10 | C11 | C25 | 179.9° | 180.0° |
| N10 | C4 | C3 | H10 | 0.1° | 0.0° |
| N10 | C11 | C25 | H11 | 0.0° | 90.0° |
| N10 | C11 | C25 | H12 | 120.0° | 30.0° |
| N10 | C11 | C25 | H13 | 120.0° | 150.0° |
| C11 | C25 | H11 | H12 | 120.0° | 120.1° |
| C11 | C25 | H11 | H13 | 120.0° | 120.0° |
| C11 | C25 | H12 | H13 | 120.0° | 120.1° |
| H2 | C20 | C21 | H3 | 0.6° | 0.3° |
| H2 | C20 | C19 | H7 | 0.9° | 0.3° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H4 | C24 | N8 | H14 | 0.0° | 120.1° |
| H5 | C24 | N8 | H14 | 120.0° | 120.0° |
| H6 | C24 | N8 | H14 | 120.0° | 0.1° |
| H7 | C19 | C18 | H8 | 1.5° | 0.3° |
| H9 | C2 | C3 | H10 | 0.1° | 0.0° |
| H11 | C25 | H12 | H13 | 120.0° | 119.9° |
