26L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | N4 | doub | 1.31Å | 1.37Å | Aromatic |
| C20 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| N5 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| N5 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | N3 | sing | 1.34Å | 1.33Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.38Å | 1.37Å | |
| N2 | C6 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 121.0° | 120.0° |
| C18 | C19 | C10 | 121.1° | 120.8° |
| C18 | C19 | H18 | 119.4° | 119.6° |
| C19 | C18 | H19 | 119.5° | 120.0° |
| C18 | C17 | C16 | 123.0° | 121.1° |
| C18 | C17 | C12 | 118.4° | 119.6° |
| C17 | C18 | H19 | 119.5° | 120.0° |
| C19 | C10 | C9 | 120.4° | 119.7° |
| C19 | C10 | C11 | 119.3° | 120.6° |
| C10 | C19 | H18 | 119.5° | 119.6° |
| N4 | C20 | C9 | 112.3° | 108.9° |
| C20 | N4 | N5 | 104.3° | 109.3° |
| N4 | C20 | H17 | 123.9° | 125.6° |
| C20 | C9 | C10 | 127.3° | 126.5° |
| C20 | C9 | C8 | 104.1° | 107.2° |
| C9 | C20 | H17 | 123.8° | 125.5° |
| N4 | N5 | C8 | 113.1° | 108.0° |
| N4 | N5 | C21 | 126.5° | 132.2° |
| C16 | C17 | C12 | 118.5° | 119.3° |
| C17 | C16 | C15 | 120.7° | 119.7° |
| C17 | C16 | H21 | 119.7° | 120.1° |
| C17 | C12 | C11 | 118.9° | 119.5° |
| C17 | C12 | C13 | 118.6° | 119.4° |
| C16 | C15 | C14 | 120.7° | 121.0° |
| C15 | C16 | H21 | 119.6° | 120.1° |
| C16 | C15 | H22 | 119.7° | 119.5° |
| C9 | C10 | C11 | 120.2° | 119.7° |
| C10 | C9 | C8 | 128.5° | 126.4° |
| C10 | C11 | C12 | 121.2° | 119.4° |
| C10 | C11 | H20 | 119.4° | 120.3° |
| C9 | C8 | N5 | 105.9° | 106.7° |
| C9 | C8 | N3 | 131.6° | 132.5° |
| C8 | N5 | C21 | 120.3° | 119.8° |
| N5 | C8 | N3 | 122.6° | 120.8° |
| N5 | C21 | C22 | 116.5° | 119.3° |
| N5 | C21 | H16 | 121.8° | 120.3° |
| C15 | C14 | C13 | 120.6° | 120.9° |
| C14 | C15 | H22 | 119.7° | 119.4° |
| C15 | C14 | H23 | 119.7° | 119.6° |
| C11 | C12 | C13 | 122.5° | 121.1° |
| C12 | C11 | H20 | 119.4° | 120.3° |
| C12 | C13 | C14 | 120.7° | 119.7° |
| C12 | C13 | H24 | 119.7° | 120.2° |
| C8 | N3 | C7 | 117.2° | 120.7° |
| C21 | C22 | C7 | 119.9° | 119.4° |
| C21 | C22 | H15 | 120.1° | 120.3° |
| C22 | C21 | H16 | 121.8° | 120.4° |
| C13 | C14 | H23 | 119.7° | 119.5° |
| C14 | C13 | H24 | 119.6° | 120.1° |
| N3 | C7 | C22 | 123.5° | 120.0° |
| N3 | C7 | N2 | 116.7° | 120.0° |
| C22 | C7 | N2 | 119.8° | 120.0° |
| C7 | C22 | H15 | 120.1° | 120.3° |
| C7 | N2 | C6 | 116.8° | 120.0° |
| C7 | N2 | H14 | 107.6° | 120.1° |
| N2 | C6 | C5 | 115.6° | 109.5° |
| N2 | C6 | C1 | 114.2° | 109.5° |
| N2 | C6 | H5 | 105.7° | 109.5° |
| C6 | N2 | H14 | 107.6° | 120.0° |
| C5 | C6 | C1 | 110.5° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.4° |
| C5 | C6 | H5 | 104.9° | 109.5° |
| C6 | C5 | H6 | 109.3° | 109.4° |
| C6 | C5 | H7 | 109.3° | 109.5° |
| C6 | C1 | N1 | 112.3° | 109.4° |
| C6 | C1 | C2 | 109.9° | 109.4° |
| C6 | C1 | H4 | 107.4° | 109.4° |
| C1 | C6 | H5 | 104.8° | 109.5° |
| N1 | C1 | C2 | 111.4° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.1° |
| N1 | C1 | H4 | 108.1° | 109.5° |
| C5 | C4 | C3 | 112.2° | 109.5° |
| C4 | C5 | H6 | 109.3° | 109.5° |
| C4 | C5 | H7 | 109.3° | 109.5° |
| C5 | C4 | H8 | 108.7° | 109.4° |
| C5 | C4 | H9 | 108.8° | 109.5° |
| C4 | C3 | C2 | 112.9° | 109.4° |
| C3 | C4 | H8 | 108.8° | 109.5° |
| C3 | C4 | H9 | 108.8° | 109.5° |
| C4 | C3 | H10 | 108.6° | 109.5° |
| C4 | C3 | H11 | 108.6° | 109.5° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C2 | C1 | H4 | 107.4° | 109.5° |
| C1 | C2 | H12 | 108.9° | 109.5° |
| C1 | C2 | H13 | 108.9° | 109.5° |
| C2 | C3 | H10 | 108.6° | 109.5° |
| C2 | C3 | H11 | 108.6° | 109.4° |
| C3 | C2 | H12 | 108.8° | 109.5° |
| C3 | C2 | H13 | 108.8° | 109.4° |
| H1 | N1 | H2 | 109.5° | 110.9° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.4° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C18 | C19 | C10 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 175.0° | 180.0° |
| C19 | C18 | C17 | C12 | 1.0° | 0.0° |
| C18 | C19 | C10 | C9 | 178.2° | 180.0° |
| C18 | C19 | C10 | C11 | 1.6° | 0.3° |
| C17 | C18 | C19 | C10 | 1.5° | 0.0° |
| C18 | C17 | C16 | C12 | 176.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.7° | 180.0° |
| C18 | C17 | C12 | C11 | 0.5° | 0.2° |
| C18 | C17 | C12 | C13 | 179.8° | 180.0° |
| C17 | C18 | C19 | H18 | 178.5° | 179.9° |
| C18 | C17 | C16 | H21 | 0.3° | 0.1° |
| C19 | C10 | C9 | C20 | 5.2° | 130.3° |
| C19 | C10 | C9 | C11 | 179.7° | 179.7° |
| C19 | C10 | C9 | C8 | 179.0° | 50.3° |
| C19 | C10 | C11 | C12 | 1.1° | 0.6° |
| C10 | C19 | C18 | H19 | 178.5° | 180.0° |
| C19 | C10 | C11 | H20 | 179.0° | 179.7° |
| N4 | C20 | C9 | H17 | 180.0° | 179.8° |
| N4 | C20 | C9 | C10 | 179.2° | 180.0° |
| N4 | C20 | C9 | C8 | 4.3° | 0.5° |
| C20 | N4 | N5 | C8 | 4.5° | 0.0° |
| C20 | N4 | N5 | C21 | 179.0° | 179.7° |
| C9 | C20 | N4 | N5 | 5.4° | 0.3° |
| C20 | C9 | C10 | C8 | 175.7° | 179.4° |
| C20 | C9 | C10 | C11 | 174.5° | 50.0° |
| C20 | C9 | C8 | N5 | 1.4° | 0.5° |
| C20 | C9 | C8 | N3 | 178.4° | 179.9° |
| N4 | N5 | C8 | C9 | 2.0° | 0.3° |
| N4 | N5 | C8 | C21 | 176.8° | 179.7° |
| N4 | N5 | C8 | N3 | 178.2° | 180.0° |
| N4 | N5 | C21 | C22 | 174.6° | 179.6° |
| N4 | N5 | C21 | H16 | 5.4° | 0.3° |
| N5 | N4 | C20 | H17 | 174.6° | 180.0° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.6° | 0.1° |
| C16 | C17 | C12 | C11 | 175.7° | 179.7° |
| C16 | C17 | C12 | C13 | 4.0° | 0.0° |
| C16 | C17 | C18 | H19 | 5.0° | 0.0° |
| C17 | C16 | C15 | H22 | 177.4° | 180.0° |
| C12 | C17 | C16 | C15 | 3.7° | 0.0° |
| C17 | C12 | C11 | C10 | 0.6° | 0.5° |
| C17 | C12 | C11 | C13 | 179.7° | 179.7° |
| C17 | C12 | C13 | C14 | 3.3° | 0.0° |
| C12 | C17 | C18 | H19 | 179.0° | 180.0° |
| C17 | C12 | C11 | H20 | 179.5° | 179.7° |
| C12 | C17 | C16 | H21 | 176.3° | 180.0° |
| C17 | C12 | C13 | H24 | 176.6° | 180.0° |
| C16 | C15 | C14 | H22 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.8° | 0.1° |
| C16 | C15 | C14 | H23 | 178.2° | 179.9° |
| C10 | C9 | C8 | N5 | 177.8° | 180.0° |
| C9 | C10 | C11 | C12 | 178.7° | 179.7° |
| C10 | C9 | C8 | N3 | 2.0° | 0.4° |
| C10 | C9 | C20 | H17 | 0.8° | 0.3° |
| C9 | C10 | C19 | H18 | 1.8° | 0.1° |
| C9 | C10 | C11 | H20 | 1.3° | 0.1° |
| C11 | C10 | C9 | C8 | 1.2° | 129.4° |
| C10 | C11 | C12 | H20 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 179.8° | 179.7° |
| C11 | C10 | C19 | H18 | 178.5° | 179.8° |
| C9 | C8 | N5 | N3 | 179.8° | 179.7° |
| C9 | C8 | N5 | C21 | 178.8° | 179.9° |
| C9 | C8 | N3 | C7 | 178.5° | 179.8° |
| C8 | C9 | C20 | H17 | 175.7° | 179.8° |
| C8 | N5 | C21 | C22 | 1.7° | 0.1° |
| N5 | C8 | N3 | C7 | 1.8° | 0.6° |
| C8 | N5 | C21 | H16 | 178.3° | 180.0° |
| C21 | N5 | C8 | N3 | 1.4° | 0.3° |
| N5 | C21 | C22 | H16 | 180.0° | 179.9° |
| N5 | C21 | C22 | C7 | 4.3° | 0.1° |
| N5 | C21 | C22 | H15 | 175.7° | 180.0° |
| C15 | C14 | C13 | C12 | 2.2° | 0.1° |
| C15 | C14 | C13 | H23 | 180.0° | 180.0° |
| C14 | C15 | C16 | H21 | 177.4° | 179.9° |
| C15 | C14 | C13 | H24 | 177.8° | 179.9° |
| C11 | C12 | C13 | C14 | 176.3° | 179.7° |
| C11 | C12 | C13 | H24 | 3.7° | 0.2° |
| C12 | C13 | C14 | H24 | 180.0° | 180.0° |
| C13 | C12 | C11 | H20 | 0.2° | 0.0° |
| C12 | C13 | C14 | H23 | 177.8° | 180.0° |
| C8 | N3 | C7 | C22 | 1.0° | 0.6° |
| C8 | N3 | C7 | N2 | 178.6° | 179.7° |
| C21 | C22 | C7 | N3 | 4.2° | 0.3° |
| C21 | C22 | C7 | H15 | 180.0° | 180.0° |
| C21 | C22 | C7 | N2 | 175.4° | 180.0° |
| C13 | C14 | C15 | H22 | 178.2° | 180.0° |
| N3 | C7 | C22 | N2 | 179.6° | 179.7° |
| N3 | C7 | N2 | C6 | 15.6° | 0.3° |
| N3 | C7 | N2 | H14 | 136.7° | 179.7° |
| N3 | C7 | C22 | H15 | 175.8° | 179.7° |
| C22 | C7 | N2 | C6 | 164.8° | 180.0° |
| C22 | C7 | N2 | H14 | 43.7° | 0.0° |
| C7 | C22 | C21 | H16 | 175.7° | 180.0° |
| C7 | N2 | C6 | H14 | 121.0° | 180.0° |
| C7 | N2 | C6 | C5 | 114.0° | 85.0° |
| C7 | N2 | C6 | C1 | 116.2° | 155.0° |
| C7 | N2 | C6 | H5 | 1.5° | 35.0° |
| N2 | C7 | C22 | H15 | 4.6° | 0.0° |
| N2 | C6 | C5 | C1 | 131.6° | 120.0° |
| N2 | C6 | C5 | H5 | 115.9° | 120.0° |
| N2 | C6 | C1 | H5 | 115.2° | 120.0° |
| N2 | C6 | C1 | N1 | 41.4° | 60.0° |
| N2 | C6 | C5 | C4 | 168.1° | 180.0° |
| N2 | C6 | C1 | C2 | 166.1° | 180.0° |
| N2 | C6 | C1 | H4 | 77.3° | 60.0° |
| N2 | C6 | C5 | H6 | 71.8° | 60.0° |
| N2 | C6 | C5 | H7 | 48.0° | 60.0° |
| C5 | C6 | C1 | H5 | 112.4° | 120.0° |
| C5 | C6 | C1 | N1 | 173.8° | 180.0° |
| C6 | C5 | C4 | H6 | 120.1° | 119.9° |
| C6 | C5 | C4 | H7 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 53.5° | 60.0° |
| C5 | C6 | C1 | C2 | 61.6° | 60.0° |
| C5 | C6 | C1 | H4 | 55.0° | 60.0° |
| C6 | C5 | H6 | H7 | 119.7° | 120.0° |
| C6 | C5 | C4 | H8 | 173.9° | 180.0° |
| C6 | C5 | C4 | H9 | 67.0° | 60.0° |
| C5 | C6 | N2 | H14 | 125.0° | 95.0° |
| C6 | C1 | N1 | C2 | 123.8° | 120.0° |
| C6 | C1 | N1 | H4 | 118.3° | 119.9° |
| C1 | C6 | C5 | C4 | 60.3° | 60.0° |
| C6 | C1 | C2 | H4 | 116.6° | 120.0° |
| C6 | C1 | C2 | C3 | 55.9° | 60.0° |
| C6 | C1 | N1 | H1 | 180.0° | 180.0° |
| C6 | C1 | N1 | H2 | 60.0° | 56.1° |
| C1 | C6 | C5 | H6 | 59.8° | 60.0° |
| C1 | C6 | C5 | H7 | 179.6° | 180.0° |
| C6 | C1 | C2 | H12 | 64.5° | 60.1° |
| C6 | C1 | C2 | H13 | 176.2° | 180.0° |
| C1 | C6 | N2 | H14 | 4.9° | 25.0° |
| N1 | C1 | C2 | H4 | 118.3° | 120.1° |
| N1 | C1 | C2 | C3 | 179.0° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C6 | H5 | 73.8° | 60.0° |
| N1 | C1 | C2 | H12 | 60.7° | 59.9° |
| N1 | C1 | C2 | H13 | 58.6° | 60.0° |
| C5 | C4 | C3 | H8 | 120.4° | 119.9° |
| C5 | C4 | C3 | H9 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 48.6° | 60.1° |
| C4 | C5 | C6 | H5 | 52.1° | 60.0° |
| C4 | C5 | H6 | H7 | 119.7° | 120.1° |
| C5 | C4 | H8 | H9 | 118.7° | 120.0° |
| C5 | C4 | C3 | H10 | 71.9° | 60.0° |
| C5 | C4 | C3 | H11 | 169.1° | 180.0° |
| C4 | C3 | C2 | C1 | 49.8° | 60.1° |
| C4 | C3 | C2 | H10 | 120.5° | 120.0° |
| C4 | C3 | C2 | H11 | 120.5° | 120.0° |
| C3 | C4 | C5 | H6 | 66.6° | 59.9° |
| C3 | C4 | C5 | H7 | 173.6° | 180.0° |
| C3 | C4 | H8 | H9 | 118.8° | 120.1° |
| C4 | C3 | H10 | H11 | 118.5° | 120.0° |
| C4 | C3 | C2 | H12 | 70.5° | 60.0° |
| C4 | C3 | C2 | H13 | 170.2° | 179.9° |
| C1 | C2 | C3 | H12 | 120.4° | 120.1° |
| C1 | C2 | C3 | H13 | 120.4° | 120.0° |
| C2 | C1 | N1 | H1 | 56.2° | 60.0° |
| C2 | C1 | N1 | H2 | 63.8° | 63.9° |
| C2 | C1 | C6 | H5 | 50.9° | 60.0° |
| C1 | C2 | C3 | H10 | 70.7° | 60.0° |
| C1 | C2 | C3 | H11 | 170.3° | 180.0° |
| C1 | C2 | H12 | H13 | 118.9° | 120.0° |
| C3 | C2 | C1 | H4 | 60.7° | 59.9° |
| C2 | C3 | C4 | H8 | 169.0° | 180.0° |
| C2 | C3 | C4 | H9 | 71.8° | 60.0° |
| C2 | C3 | H10 | H11 | 118.4° | 120.0° |
| C3 | C2 | H12 | H13 | 118.8° | 120.0° |
| H1 | N1 | C1 | H4 | 61.7° | 60.1° |
| H2 | N1 | C1 | H4 | 178.3° | 176.1° |
| H4 | C1 | C6 | H5 | 167.5° | 179.9° |
| H4 | C1 | C2 | H12 | 178.9° | 180.0° |
| H4 | C1 | C2 | H13 | 59.6° | 60.0° |
| H5 | C6 | C5 | H6 | 172.2° | 180.0° |
| H5 | C6 | C5 | H7 | 68.0° | 60.0° |
| H5 | C6 | N2 | H14 | 119.6° | 145.0° |
| H6 | C5 | C4 | H8 | 53.8° | 60.0° |
| H6 | C5 | C4 | H9 | 172.9° | 180.0° |
| H7 | C5 | C4 | H8 | 66.0° | 60.0° |
| H7 | C5 | C4 | H9 | 53.1° | 60.0° |
| H8 | C4 | C3 | H10 | 48.6° | 59.9° |
| H8 | C4 | C3 | H11 | 70.5° | 60.1° |
| H9 | C4 | C3 | H10 | 167.7° | 180.0° |
| H9 | C4 | C3 | H11 | 48.7° | 60.0° |
| H10 | C3 | C2 | H12 | 169.0° | 179.9° |
| H10 | C3 | C2 | H13 | 49.7° | 60.0° |
| H11 | C3 | C2 | H12 | 50.0° | 59.9° |
| H11 | C3 | C2 | H13 | 69.3° | 60.0° |
| H15 | C22 | C21 | H16 | 4.3° | 0.1° |
| H18 | C19 | C18 | H19 | 1.5° | 0.1° |
| H21 | C16 | C15 | H22 | 2.5° | 0.0° |
| H22 | C15 | C14 | H23 | 1.8° | 0.0° |
| H23 | C14 | C13 | H24 | 2.2° | 0.1° |
