6HH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.72Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C10 | sing | 1.39Å | 1.37Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C9 | sing | 1.48Å | 1.46Å | |
| C10 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N1 | sing | 1.32Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.46Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C18 | sing | 1.51Å | 1.50Å | |
| C22 | C18 | sing | 1.54Å | 1.54Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C18 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C23 | O1 | doub | 1.21Å | 1.22Å | |
| C23 | O2 | sing | 1.34Å | 1.35Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C16 | 118.6° | 119.9° |
| CL1 | C15 | C14 | 118.9° | 119.9° |
| C16 | C15 | C14 | 122.5° | 120.2° |
| C15 | C16 | C17 | 118.6° | 120.1° |
| C15 | C16 | H11 | 120.7° | 119.9° |
| C15 | C14 | C13 | 118.5° | 120.1° |
| C15 | C14 | H10 | 120.8° | 119.9° |
| C16 | C17 | C12 | 120.0° | 119.9° |
| C17 | C16 | H11 | 120.7° | 120.0° |
| C16 | C17 | H12 | 120.0° | 120.1° |
| C14 | C13 | C12 | 120.1° | 119.9° |
| C14 | C13 | H9 | 120.0° | 120.1° |
| C13 | C14 | H10 | 120.7° | 119.9° |
| C17 | C12 | C13 | 120.3° | 119.8° |
| C17 | C12 | C9 | 118.7° | 120.1° |
| C12 | C17 | H12 | 120.0° | 120.0° |
| N2 | C10 | C9 | 122.7° | 119.7° |
| N2 | C10 | N1 | 115.2° | 119.6° |
| C10 | N2 | H7 | 109.5° | 120.0° |
| C10 | N2 | H8 | 109.5° | 120.0° |
| C13 | C12 | C9 | 121.0° | 120.2° |
| C12 | C13 | H9 | 119.9° | 120.1° |
| C12 | C9 | C10 | 122.1° | 120.5° |
| C12 | C9 | C8 | 119.5° | 120.5° |
| C9 | C10 | N1 | 122.0° | 120.7° |
| C10 | C9 | C8 | 118.4° | 119.0° |
| C10 | N1 | C11 | 116.9° | 121.9° |
| C9 | C8 | C7 | 120.4° | 118.3° |
| C9 | C8 | H5 | 119.8° | 120.8° |
| N1 | C11 | C7 | 124.8° | 121.0° |
| N1 | C11 | H6 | 117.6° | 119.5° |
| C8 | C7 | C11 | 117.3° | 119.2° |
| C8 | C7 | C6 | 122.3° | 120.4° |
| C7 | C8 | H5 | 119.8° | 120.9° |
| C11 | C7 | C6 | 120.4° | 120.4° |
| C7 | C11 | H6 | 117.6° | 119.5° |
| C7 | C6 | C5 | 120.9° | 120.1° |
| C7 | C6 | C1 | 120.3° | 120.1° |
| C5 | C6 | C1 | 118.8° | 119.8° |
| C6 | C5 | C4 | 120.5° | 119.9° |
| C6 | C5 | H4 | 119.7° | 120.1° |
| C6 | C1 | C2 | 120.7° | 119.9° |
| C6 | C1 | H1 | 119.6° | 120.1° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | H3 | 119.8° | 119.9° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.2° |
| C4 | C3 | C18 | 122.2° | 119.9° |
| C3 | C4 | H3 | 119.8° | 119.9° |
| C1 | C2 | C3 | 120.3° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 119.8° | 119.9° |
| C2 | C3 | C18 | 118.6° | 119.9° |
| C3 | C2 | H2 | 119.9° | 119.9° |
| C3 | C18 | C22 | 115.1° | 110.2° |
| C3 | C18 | C19 | 112.4° | 110.1° |
| C3 | C18 | C23 | 106.0° | 110.0° |
| C18 | C22 | C21 | 104.6° | 106.6° |
| C22 | C18 | C19 | 102.3° | 106.6° |
| C22 | C18 | C23 | 109.2° | 110.0° |
| C18 | C22 | H19 | 110.7° | 110.0° |
| C18 | C22 | H20 | 110.7° | 110.0° |
| C22 | C21 | C20 | 106.0° | 104.2° |
| C22 | C21 | H18 | 110.3° | 110.4° |
| C22 | C21 | H17 | 110.4° | 110.6° |
| C21 | C22 | H19 | 110.7° | 110.1° |
| C21 | C22 | H20 | 110.7° | 110.0° |
| C19 | C18 | C23 | 112.0° | 110.0° |
| C18 | C19 | C20 | 105.6° | 104.2° |
| C18 | C19 | H14 | 110.4° | 110.5° |
| C18 | C19 | H13 | 110.4° | 110.5° |
| C18 | C23 | O1 | 127.8° | 120.0° |
| C18 | C23 | O2 | 114.0° | 120.0° |
| C19 | C20 | C21 | 106.7° | 102.9° |
| C19 | C20 | H16 | 110.2° | 110.8° |
| C19 | C20 | H15 | 110.2° | 110.7° |
| C20 | C19 | H14 | 110.4° | 110.4° |
| C20 | C19 | H13 | 110.4° | 110.5° |
| C21 | C20 | H16 | 110.2° | 110.8° |
| C21 | C20 | H15 | 110.2° | 110.7° |
| C20 | C21 | H18 | 110.4° | 110.5° |
| C20 | C21 | H17 | 110.3° | 110.5° |
| O1 | C23 | O2 | 118.2° | 120.0° |
| C23 | O2 | H21 | 109.5° | 117.0° |
| H7 | N2 | H8 | 109.4° | 120.0° |
| H16 | C20 | H15 | 109.5° | 110.7° |
| H18 | C21 | H17 | 109.4° | 110.4° |
| H14 | C19 | H13 | 109.5° | 110.5° |
| H19 | C22 | H20 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C16 | C14 | 179.9° | 179.8° |
| CL1 | C15 | C16 | C17 | 179.8° | 180.0° |
| CL1 | C15 | C14 | C13 | 179.5° | 179.8° |
| CL1 | C15 | C16 | H11 | 0.2° | 0.4° |
| CL1 | C15 | C14 | H10 | 0.5° | 0.2° |
| C15 | C16 | C17 | H11 | 180.0° | 179.5° |
| C16 | C15 | C14 | C13 | 0.6° | 0.1° |
| C15 | C16 | C17 | C12 | 0.5° | 0.5° |
| C16 | C15 | C14 | H10 | 179.4° | 180.0° |
| C15 | C16 | C17 | H12 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H9 | 179.9° | 179.7° |
| C14 | C15 | C16 | H11 | 179.8° | 179.8° |
| C16 | C17 | C12 | H12 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 0.9° | 0.5° |
| C16 | C17 | C12 | C9 | 179.8° | 179.5° |
| C14 | C13 | C12 | C17 | 0.6° | 0.2° |
| C14 | C13 | C12 | H9 | 180.0° | 179.8° |
| C14 | C13 | C12 | C9 | 179.5° | 179.8° |
| C17 | C12 | C13 | C9 | 178.9° | 180.0° |
| C17 | C12 | C9 | C10 | 127.3° | 130.0° |
| C17 | C12 | C9 | C8 | 50.8° | 50.1° |
| C17 | C12 | C13 | H9 | 179.4° | 180.0° |
| C12 | C17 | C16 | H11 | 179.5° | 180.0° |
| N2 | C10 | C9 | C12 | 1.7° | 0.0° |
| N2 | C10 | C9 | N1 | 179.0° | 179.7° |
| N2 | C10 | C9 | C8 | 176.5° | 180.0° |
| N2 | C10 | N1 | C11 | 176.2° | 179.9° |
| C10 | N2 | H7 | H8 | 120.0° | 180.0° |
| C13 | C12 | C9 | C10 | 53.7° | 50.0° |
| C13 | C12 | C9 | C8 | 128.1° | 130.0° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| C13 | C12 | C17 | H12 | 179.1° | 180.0° |
| C12 | C9 | C10 | C8 | 178.2° | 180.0° |
| C12 | C9 | C10 | N1 | 179.4° | 179.7° |
| C12 | C9 | C8 | C7 | 177.8° | 180.0° |
| C9 | C12 | C13 | H9 | 0.5° | 0.0° |
| C12 | C9 | C8 | H5 | 2.2° | 0.0° |
| C9 | C12 | C17 | H12 | 0.2° | 0.0° |
| C9 | C10 | N1 | C11 | 2.8° | 0.4° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C9 | C10 | N2 | H7 | 179.1° | 0.0° |
| C9 | C10 | N2 | H8 | 61.0° | 180.0° |
| C10 | C9 | C8 | H5 | 179.6° | 180.0° |
| N1 | C10 | C9 | C8 | 2.5° | 0.3° |
| C10 | N1 | C11 | C7 | 0.3° | 0.1° |
| N1 | C10 | N2 | H7 | 0.0° | 179.7° |
| N1 | C10 | N2 | H8 | 120.0° | 0.3° |
| C10 | N1 | C11 | H6 | 179.7° | 179.9° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 2.7° | 0.2° |
| C9 | C8 | C7 | C6 | 177.1° | 180.0° |
| N1 | C11 | C7 | C8 | 2.4° | 0.2° |
| N1 | C11 | C7 | H6 | 180.0° | 179.9° |
| N1 | C11 | C7 | C6 | 177.4° | 179.9° |
| C8 | C7 | C11 | C6 | 179.8° | 179.7° |
| C8 | C7 | C6 | C5 | 29.2° | 180.0° |
| C8 | C7 | C6 | C1 | 151.4° | 0.0° |
| C8 | C7 | C11 | H6 | 177.6° | 179.7° |
| C11 | C7 | C6 | C5 | 150.5° | 0.3° |
| C11 | C7 | C6 | C1 | 28.8° | 179.7° |
| C11 | C7 | C8 | H5 | 177.3° | 179.7° |
| C7 | C6 | C5 | C1 | 179.4° | 180.0° |
| C7 | C6 | C5 | C4 | 179.6° | 180.0° |
| C7 | C6 | C1 | C2 | 178.4° | 179.7° |
| C6 | C7 | C8 | H5 | 2.9° | 0.0° |
| C7 | C6 | C1 | H1 | 1.7° | 0.0° |
| C7 | C6 | C5 | H4 | 0.4° | 0.1° |
| C6 | C7 | C11 | H6 | 2.6° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.9° | 0.0° |
| C5 | C6 | C1 | C2 | 1.0° | 0.3° |
| C6 | C5 | C4 | H3 | 178.1° | 179.7° |
| C5 | C6 | C1 | H1 | 179.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 0.6° | 0.6° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C6 | C5 | H4 | 179.8° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 2.3° | 0.2° |
| C5 | C4 | C3 | C18 | 178.0° | 179.7° |
| C4 | C3 | C2 | C1 | 1.0° | 0.5° |
| C4 | C3 | C2 | C18 | 179.8° | 179.9° |
| C4 | C3 | C18 | C22 | 16.0° | 129.1° |
| C4 | C3 | C18 | C19 | 132.6° | 113.7° |
| C4 | C3 | C18 | C23 | 104.8° | 7.7° |
| C4 | C3 | C2 | H2 | 179.0° | 180.0° |
| C3 | C4 | C5 | H4 | 178.1° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | C18 | 179.2° | 179.4° |
| C2 | C3 | C18 | C22 | 164.2° | 51.0° |
| C2 | C3 | C18 | C19 | 47.6° | 66.2° |
| C2 | C3 | C18 | C23 | 75.0° | 172.4° |
| C2 | C3 | C4 | H3 | 177.8° | 180.0° |
| C3 | C2 | C1 | H1 | 179.4° | 179.8° |
| C3 | C18 | C22 | C19 | 122.2° | 119.4° |
| C3 | C18 | C22 | C23 | 119.0° | 121.4° |
| C3 | C18 | C22 | C21 | 160.7° | 119.3° |
| C3 | C18 | C19 | C23 | 119.2° | 121.4° |
| C3 | C18 | C19 | C20 | 158.2° | 142.9° |
| C3 | C18 | C23 | O1 | 98.3° | 121.4° |
| C3 | C18 | C23 | O2 | 79.7° | 58.6° |
| C18 | C3 | C4 | H3 | 2.0° | 0.1° |
| C3 | C18 | C19 | H14 | 82.4° | 24.4° |
| C3 | C18 | C19 | H13 | 38.8° | 98.3° |
| C18 | C3 | C2 | H2 | 0.8° | 0.1° |
| C3 | C18 | C22 | H19 | 41.5° | 121.3° |
| C3 | C18 | C22 | H20 | 80.1° | 0.0° |
| C18 | C22 | C21 | H19 | 119.2° | 119.3° |
| C18 | C22 | C21 | H20 | 119.2° | 119.3° |
| C22 | C18 | C19 | C23 | 116.8° | 119.2° |
| C22 | C18 | C19 | C20 | 34.2° | 23.5° |
| C18 | C22 | C21 | C20 | 28.4° | 23.5° |
| C22 | C18 | C23 | O1 | 26.3° | 117.1° |
| C22 | C18 | C23 | O2 | 155.7° | 62.9° |
| C18 | C22 | C21 | H18 | 147.9° | 142.2° |
| C18 | C22 | C21 | H17 | 91.0° | 95.2° |
| C22 | C18 | C19 | H14 | 153.6° | 95.1° |
| C22 | C18 | C19 | H13 | 85.2° | 142.3° |
| C18 | C22 | H19 | H20 | 122.3° | 121.4° |
| C21 | C22 | C18 | C19 | 38.5° | 0.0° |
| C21 | C22 | C18 | C23 | 80.3° | 119.3° |
| C22 | C21 | C20 | C19 | 6.9° | 37.9° |
| C22 | C21 | C20 | H18 | 119.5° | 118.6° |
| C22 | C21 | C20 | H17 | 119.5° | 118.8° |
| C22 | C21 | C20 | H16 | 126.5° | 156.3° |
| C22 | C21 | C20 | H15 | 112.6° | 80.5° |
| C22 | C21 | H18 | H17 | 121.6° | 122.7° |
| C21 | C22 | H19 | H20 | 122.3° | 121.4° |
| C18 | C19 | C20 | H14 | 119.4° | 118.7° |
| C18 | C19 | C20 | H13 | 119.4° | 118.8° |
| C18 | C19 | C20 | C21 | 17.2° | 37.8° |
| C19 | C18 | C23 | O1 | 138.8° | 0.0° |
| C19 | C18 | C23 | O2 | 43.2° | 180.0° |
| C18 | C19 | C20 | H16 | 102.4° | 156.2° |
| C18 | C19 | C20 | H15 | 136.7° | 80.5° |
| C18 | C19 | H14 | H13 | 121.8° | 122.7° |
| C19 | C18 | C22 | H19 | 80.7° | 119.3° |
| C19 | C18 | C22 | H20 | 157.7° | 119.3° |
| C23 | C18 | C19 | C20 | 82.6° | 95.7° |
| C18 | C23 | O1 | O2 | 177.9° | 180.0° |
| C23 | C18 | C19 | H14 | 36.8° | 145.8° |
| C23 | C18 | C19 | H13 | 158.0° | 23.1° |
| C23 | C18 | C22 | H19 | 160.5° | 0.1° |
| C23 | C18 | C22 | H20 | 38.9° | 121.4° |
| C18 | C23 | O2 | H21 | 178.2° | 180.0° |
| C19 | C20 | C21 | H16 | 119.6° | 118.4° |
| C19 | C20 | C21 | H15 | 119.6° | 118.4° |
| C19 | C20 | H16 | H15 | 121.3° | 123.3° |
| C19 | C20 | C21 | H18 | 126.4° | 156.5° |
| C19 | C20 | C21 | H17 | 112.5° | 81.0° |
| C20 | C19 | H14 | H13 | 121.8° | 122.6° |
| C21 | C20 | H16 | H15 | 121.3° | 123.2° |
| C20 | C21 | H18 | H17 | 121.6° | 122.6° |
| C21 | C20 | C19 | H14 | 136.5° | 80.8° |
| C21 | C20 | C19 | H13 | 102.2° | 156.6° |
| C20 | C21 | C22 | H19 | 90.8° | 95.8° |
| C20 | C21 | C22 | H20 | 147.6° | 142.8° |
| O1 | C23 | O2 | H21 | 0.0° | 0.1° |
| H3 | C4 | C5 | H4 | 1.8° | 0.2° |
| H9 | C13 | C14 | H10 | 0.1° | 0.2° |
| H16 | C20 | C21 | H18 | 114.0° | 85.1° |
| H16 | C20 | C21 | H17 | 7.1° | 37.4° |
| H16 | C20 | C19 | H14 | 17.0° | 37.6° |
| H16 | C20 | C19 | H13 | 138.2° | 85.0° |
| H15 | C20 | C21 | H18 | 6.8° | 38.1° |
| H15 | C20 | C21 | H17 | 127.9° | 160.6° |
| H15 | C20 | C19 | H14 | 103.9° | 160.8° |
| H15 | C20 | C19 | H13 | 17.3° | 38.2° |
| H18 | C21 | C22 | H19 | 28.6° | 22.9° |
| H18 | C21 | C22 | H20 | 92.9° | 98.5° |
| H17 | C21 | C22 | H19 | 149.7° | 145.5° |
| H17 | C21 | C22 | H20 | 28.2° | 24.1° |
| H11 | C16 | C17 | H12 | 0.5° | 0.5° |
| H1 | C1 | C2 | H2 | 0.6° | 0.3° |
