18E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.42Å | 1.50Å | Aromatic |
| C4 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.39Å | 1.47Å | Aromatic |
| C7 | N11 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.47Å | 1.45Å | Aromatic |
| C10 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.47Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.49Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.48Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| N17 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | N17 | doub | 1.32Å | 1.36Å | Aromatic |
| CL18 | C18 | sing | 1.74Å | 1.77Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C6 | 117.5° | 119.7° |
| O1 | C1 | C2 | 120.6° | 119.7° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C6 | C1 | C2 | 121.9° | 120.7° |
| C1 | C6 | C5 | 118.9° | 119.6° |
| C1 | C6 | H6 | 120.6° | 120.2° |
| C1 | C2 | C3 | 121.6° | 120.8° |
| C1 | C2 | H2 | 119.2° | 119.6° |
| C3 | C2 | H2 | 119.2° | 119.6° |
| C2 | C3 | C4 | 118.2° | 119.9° |
| C2 | C3 | H3 | 120.9° | 120.1° |
| C4 | C3 | H3 | 120.9° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.6° |
| C3 | C4 | C7 | 123.6° | 120.9° |
| C5 | C4 | C7 | 116.1° | 119.4° |
| C4 | C5 | C6 | 119.2° | 119.4° |
| C4 | C5 | C10 | 122.0° | 119.8° |
| C4 | C7 | C8 | 119.2° | 119.1° |
| C4 | C7 | N11 | 131.6° | 132.2° |
| C6 | C5 | C10 | 118.9° | 120.8° |
| C5 | C6 | H6 | 120.5° | 120.2° |
| C5 | C10 | C9 | 121.4° | 120.2° |
| C5 | C10 | H10 | 119.3° | 119.9° |
| C8 | C7 | N11 | 109.2° | 108.7° |
| C7 | C8 | C9 | 123.7° | 120.5° |
| C7 | C8 | C13 | 104.9° | 106.4° |
| C7 | N11 | C12 | 111.5° | 110.3° |
| C7 | N11 | HN11 | 124.2° | 124.9° |
| C9 | C8 | C13 | 131.4° | 133.1° |
| C8 | C9 | C10 | 117.6° | 120.9° |
| C8 | C9 | H9 | 121.2° | 119.5° |
| C8 | C13 | C12 | 107.1° | 106.3° |
| C8 | C13 | C18 | 131.1° | 134.4° |
| C10 | C9 | H9 | 121.2° | 119.5° |
| C9 | C10 | H10 | 119.3° | 119.9° |
| N11 | C12 | C13 | 107.4° | 108.3° |
| N11 | C12 | C14 | 137.4° | 133.6° |
| C12 | N11 | HN11 | 124.3° | 124.8° |
| C13 | C12 | C14 | 115.3° | 118.0° |
| C12 | C13 | C18 | 121.8° | 119.3° |
| C12 | C14 | C16 | 118.5° | 118.9° |
| C12 | C14 | C15 | 121.3° | 120.5° |
| C13 | C18 | N17 | 116.9° | 120.2° |
| C13 | C18 | CL18 | 121.9° | 119.9° |
| C16 | C14 | C15 | 120.2° | 120.5° |
| C14 | C16 | N17 | 123.9° | 121.5° |
| C14 | C16 | H16 | 118.1° | 119.3° |
| C14 | C15 | H15 | 109.5° | 109.6° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| C14 | C15 | H15B | 109.4° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| N17 | C16 | H16 | 118.1° | 119.2° |
| C16 | N17 | C18 | 123.6° | 122.1° |
| N17 | C18 | CL18 | 121.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C6 | C2 | 179.9° | 179.8° |
| O1 | C1 | C2 | C3 | 179.5° | 180.0° |
| O1 | C1 | C2 | H2 | 0.5° | 0.0° |
| O1 | C1 | C6 | C5 | 179.7° | 179.8° |
| O1 | C1 | C6 | H6 | 0.4° | 0.2° |
| C6 | C1 | O1 | HO1 | 180.0° | 90.2° |
| C6 | C1 | C2 | C3 | 0.5° | 0.2° |
| C6 | C1 | C2 | H2 | 179.5° | 179.7° |
| C1 | C6 | C5 | C4 | 0.5° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | C10 | 179.7° | 179.7° |
| C2 | C1 | O1 | HO1 | 0.1° | 90.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C4 | C7 | 179.7° | 180.0° |
| H2 | C2 | C3 | C4 | 179.3° | 180.0° |
| H2 | C2 | C3 | H3 | 0.7° | 0.1° |
| C3 | C4 | C5 | C7 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | C10 | 179.5° | 180.0° |
| C3 | C4 | C7 | C8 | 179.4° | 180.0° |
| C3 | C4 | C7 | N11 | 1.2° | 0.0° |
| H3 | C3 | C4 | C5 | 179.2° | 180.0° |
| H3 | C3 | C4 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | C10 | 179.8° | 179.9° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C7 | C8 | 0.4° | 0.1° |
| C5 | C4 | C7 | N11 | 179.9° | 180.0° |
| C4 | C5 | C10 | C9 | 0.2° | 0.0° |
| C4 | C5 | C10 | H10 | 179.9° | 180.0° |
| C7 | C4 | C5 | C6 | 179.7° | 179.8° |
| C7 | C4 | C5 | C10 | 0.4° | 0.0° |
| C4 | C7 | C8 | N11 | 179.5° | 180.0° |
| C4 | C7 | C8 | C9 | 0.2° | 0.0° |
| C4 | C7 | C8 | C13 | 179.5° | 180.0° |
| C4 | C7 | N11 | C12 | 179.5° | 180.0° |
| C4 | C7 | N11 | HN11 | 0.5° | 0.0° |
| C6 | C5 | C10 | C9 | 180.0° | 179.9° |
| C6 | C5 | C10 | H10 | 0.0° | 0.2° |
| C10 | C5 | C6 | H6 | 0.3° | 0.2° |
| C5 | C10 | C9 | C8 | 0.1° | 0.1° |
| C5 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C10 | C9 | H9 | 179.9° | 180.0° |
| C7 | C8 | C9 | C13 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | N11 | C12 | 0.0° | 0.0° |
| C7 | C8 | C13 | C12 | 0.1° | 0.0° |
| C7 | C8 | C13 | C18 | 179.9° | 179.9° |
| C8 | C7 | N11 | HN11 | 180.0° | 179.9° |
| N11 | C7 | C8 | C9 | 179.7° | 180.0° |
| N11 | C7 | C8 | C13 | 0.1° | 0.0° |
| C7 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C7 | N11 | C12 | C13 | 0.1° | 0.0° |
| C7 | N11 | C12 | C14 | 179.8° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 179.8° | 180.0° |
| C9 | C8 | C13 | C18 | 0.3° | 0.1° |
| C13 | C8 | C9 | C10 | 179.7° | 179.9° |
| C13 | C8 | C9 | H9 | 0.4° | 0.0° |
| C8 | C13 | C12 | N11 | 0.1° | 0.0° |
| C8 | C13 | C12 | C18 | 180.0° | 180.0° |
| C8 | C13 | C12 | C14 | 179.8° | 180.0° |
| C8 | C13 | C18 | N17 | 179.8° | 180.0° |
| C8 | C13 | C18 | CL18 | 0.5° | 0.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| N11 | C12 | C13 | C14 | 179.9° | 180.0° |
| N11 | C12 | C13 | C18 | 179.9° | 180.0° |
| N11 | C12 | C14 | C16 | 180.0° | 180.0° |
| N11 | C12 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C14 | C16 | 0.2° | 0.0° |
| C13 | C12 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | C18 | N17 | 0.2° | 0.0° |
| C12 | C13 | C18 | CL18 | 179.6° | 180.0° |
| C13 | C12 | N11 | HN11 | 179.9° | 180.0° |
| C14 | C12 | C13 | C18 | 0.2° | 0.0° |
| C12 | C14 | C16 | C15 | 179.8° | 180.0° |
| C12 | C14 | C15 | H15 | 89.9° | 90.0° |
| C12 | C14 | C15 | H15A | 150.1° | 150.0° |
| C12 | C14 | C15 | H15B | 30.1° | 30.0° |
| C12 | C14 | C16 | N17 | 0.1° | 0.0° |
| C12 | C14 | C16 | H16 | 179.9° | 179.9° |
| C14 | C12 | N11 | HN11 | 0.2° | 0.1° |
| C13 | C18 | N17 | C16 | 0.0° | 0.0° |
| C13 | C18 | N17 | CL18 | 179.7° | 180.0° |
| C16 | C14 | C15 | H15 | 89.9° | 90.0° |
| C16 | C14 | C15 | H15A | 30.1° | 30.1° |
| C16 | C14 | C15 | H15B | 150.1° | 150.0° |
| C14 | C16 | N17 | H16 | 180.0° | 179.9° |
| C14 | C16 | N17 | C18 | 0.0° | 0.0° |
| C14 | C15 | H15 | H15A | 120.0° | 120.1° |
| C14 | C15 | H15 | H15B | 120.0° | 120.0° |
| C14 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C14 | C16 | N17 | 179.9° | 180.0° |
| C15 | C14 | C16 | H16 | 0.1° | 0.1° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
| C16 | N17 | C18 | CL18 | 179.7° | 180.0° |
| H16 | C16 | N17 | C18 | 180.0° | 179.9° |
