LCF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | doub | 1.39Å | 1.56Å | Aromatic |
| C1 | N | sing | 1.35Å | 1.44Å | Aromatic |
| C1 | C8 | sing | 1.48Å | 1.52Å | |
| C2 | C3 | sing | 1.56Å | 1.52Å | |
| C2 | N | sing | 1.45Å | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.57Å | 1.49Å | |
| C3 | C10 | sing | 1.53Å | 1.48Å | |
| C3 | C11 | sing | 1.54Å | 1.50Å | |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | H41 | sing | 1.10Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.37Å | 1.49Å | Aromatic |
| C5 | N | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.43Å | 1.60Å | Aromatic |
| C6 | C12 | sing | 1.43Å | 1.52Å | Aromatic |
| C7 | C18 | sing | 1.44Å | 1.48Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | H81 | sing | 1.10Å | 1.11Å | |
| C8 | H82 | sing | 1.10Å | 1.12Å | |
| C9 | O1 | sing | 1.36Å | 1.21Å | |
| C9 | O2 | doub | 1.22Å | 1.21Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.45Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | CL1 | sing | 1.72Å | 17.84Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | N | 106.5° | 105.9° |
| C7 | C1 | C8 | 138.5° | 131.7° |
| C1 | C7 | C6 | 105.4° | 108.4° |
| C1 | C7 | C18 | 120.4° | 122.5° |
| N | C1 | C8 | 114.9° | 122.4° |
| C1 | N | C2 | 135.3° | 134.5° |
| C1 | N | C5 | 112.0° | 111.8° |
| C1 | C8 | C9 | 112.2° | 111.6° |
| C1 | C8 | H81 | 111.3° | 112.6° |
| C1 | C8 | H82 | 111.2° | 111.8° |
| C3 | C2 | N | 101.2° | 102.5° |
| C3 | C2 | H21 | 115.4° | 113.0° |
| C3 | C2 | H22A | 115.4° | 113.7° |
| C2 | C3 | C4 | 112.1° | 105.1° |
| C2 | C3 | C10 | 115.3° | 111.1° |
| C2 | C3 | C11 | 108.5° | 110.1° |
| N | C2 | H21 | 115.3° | 107.0° |
| N | C2 | H22A | 115.3° | 108.9° |
| C2 | N | C5 | 112.8° | 113.7° |
| H21 | C2 | H22A | 95.1° | 111.0° |
| C4 | C3 | C10 | 98.2° | 111.2° |
| C4 | C3 | C11 | 113.6° | 110.0° |
| C3 | C4 | C5 | 102.1° | 102.3° |
| C3 | C4 | H41 | 115.0° | 111.2° |
| C3 | C4 | H42 | 115.0° | 112.1° |
| C10 | C3 | C11 | 108.8° | 109.4° |
| C3 | C10 | H101 | 115.3° | 110.6° |
| C3 | C10 | H102 | 110.0° | 110.6° |
| C3 | C10 | H103 | 110.0° | 110.6° |
| C3 | C11 | H111 | 108.6° | 110.6° |
| C3 | C11 | H112 | 112.5° | 110.6° |
| C3 | C11 | H113 | 112.5° | 110.6° |
| C5 | C4 | H41 | 115.0° | 109.8° |
| C5 | C4 | H42 | 115.0° | 112.3° |
| C4 | C5 | C6 | 134.4° | 140.8° |
| C4 | C5 | N | 111.8° | 111.3° |
| H41 | C4 | H42 | 95.5° | 109.0° |
| C6 | C5 | N | 113.8° | 107.9° |
| C5 | C6 | C7 | 102.3° | 106.0° |
| C5 | C6 | C12 | 122.3° | 123.4° |
| C7 | C6 | C12 | 135.4° | 130.7° |
| C6 | C7 | C18 | 134.2° | 129.1° |
| C6 | C12 | C13 | 124.4° | 120.0° |
| C6 | C12 | C17 | 122.1° | 120.1° |
| C7 | C18 | C19 | 122.2° | 120.0° |
| C7 | C18 | C23 | 123.5° | 120.0° |
| C9 | C8 | H81 | 111.2° | 109.0° |
| C9 | C8 | H82 | 111.2° | 107.1° |
| C8 | C9 | O1 | 118.7° | 112.8° |
| C8 | C9 | O2 | 121.1° | 123.9° |
| H81 | C8 | H82 | 99.1° | 104.2° |
| O1 | C9 | O2 | 120.2° | 123.2° |
| C9 | O1 | HO1 | 118.7° | 115.3° |
| H101 | C10 | H102 | 110.1° | 108.3° |
| H101 | C10 | H103 | 110.1° | 108.3° |
| H102 | C10 | H103 | 100.2° | 108.4° |
| H111 | C11 | H112 | 112.6° | 108.3° |
| H111 | C11 | H113 | 112.6° | 108.3° |
| H112 | C11 | H113 | 97.9° | 108.4° |
| C13 | C12 | C17 | 113.5° | 119.8° |
| C12 | C13 | C14 | 123.6° | 120.0° |
| C12 | C13 | H13 | 118.4° | 120.8° |
| C12 | C17 | C16 | 124.8° | 120.1° |
| C12 | C17 | H17 | 117.3° | 120.8° |
| C14 | C13 | H13 | 118.0° | 119.2° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C13 | C14 | H14 | 121.1° | 120.0° |
| C15 | C14 | H14 | 118.9° | 120.0° |
| C14 | C15 | C16 | 118.3° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C16 | C15 | H15 | 121.6° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C15 | C16 | H16 | 120.4° | 120.0° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | H17 | 117.9° | 119.1° |
| C19 | C18 | C23 | 114.3° | 120.1° |
| C18 | C19 | C20 | 123.4° | 119.9° |
| C18 | C19 | H19 | 118.6° | 120.9° |
| C18 | C23 | C22 | 122.9° | 120.0° |
| C18 | C23 | H23 | 119.4° | 120.9° |
| C20 | C19 | H19 | 118.0° | 119.2° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C19 | C20 | H20 | 119.6° | 119.2° |
| C21 | C20 | H20 | 119.5° | 120.8° |
| C20 | C21 | C22 | 119.1° | 120.0° |
| C20 | C21 | CL1 | 113.7° | 120.1° |
| C22 | C21 | CL1 | 127.1° | 120.0° |
| C21 | C22 | C23 | 119.4° | 120.0° |
| C21 | C22 | H22 | 119.4° | 120.8° |
| C23 | C22 | H22 | 121.2° | 119.2° |
| C22 | C23 | H23 | 117.7° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | N | C8 | 179.8° | 180.0° |
| C7 | C1 | N | C2 | 179.9° | 179.4° |
| C1 | C7 | C6 | C5 | 0.0° | 0.1° |
| C7 | C1 | N | C5 | 0.3° | 0.3° |
| C1 | C7 | C6 | C18 | 179.9° | 179.9° |
| C1 | C7 | C6 | C12 | 179.7° | 179.9° |
| C7 | C1 | C8 | C9 | 102.7° | 89.9° |
| C7 | C1 | C8 | H81 | 132.0° | 147.0° |
| C7 | C1 | C8 | H82 | 22.5° | 30.0° |
| C1 | C7 | C18 | C19 | 179.8° | 90.1° |
| C1 | C7 | C18 | C23 | 0.0° | 89.8° |
| C1 | N | C2 | C3 | 179.5° | 165.3° |
| C1 | N | C2 | C5 | 179.6° | 179.0° |
| C1 | N | C2 | H21 | 55.3° | 75.6° |
| C1 | N | C2 | H22A | 54.2° | 44.5° |
| C1 | N | C5 | C4 | 179.9° | 179.5° |
| C1 | N | C5 | C6 | 0.3° | 0.4° |
| N | C1 | C7 | C6 | 0.2° | 0.2° |
| N | C1 | C7 | C18 | 179.9° | 179.9° |
| N | C1 | C8 | C9 | 77.0° | 90.1° |
| N | C1 | C8 | H81 | 48.3° | 32.9° |
| N | C1 | C8 | H82 | 157.8° | 149.9° |
| C8 | C1 | N | C2 | 0.3° | 0.6° |
| C8 | C1 | N | C5 | 179.9° | 179.7° |
| C8 | C1 | C7 | C6 | 179.9° | 179.8° |
| C8 | C1 | C7 | C18 | 0.2° | 0.1° |
| C1 | C8 | C9 | H81 | 125.3° | 125.1° |
| C1 | C8 | C9 | H82 | 125.3° | 122.7° |
| C1 | C8 | H81 | H82 | 117.1° | 121.4° |
| C1 | C8 | C9 | O1 | 103.3° | 177.1° |
| C1 | C8 | C9 | O2 | 76.5° | 5.1° |
| C3 | C2 | N | H21 | 125.3° | 119.1° |
| C3 | C2 | N | H22A | 125.3° | 120.8° |
| C3 | C2 | H21 | H22A | 121.3° | 129.2° |
| C2 | C3 | C4 | C10 | 121.7° | 120.3° |
| C2 | C3 | C4 | C11 | 123.6° | 118.4° |
| C2 | C3 | C10 | C11 | 122.2° | 121.7° |
| C2 | C3 | C4 | C5 | 0.9° | 21.3° |
| C2 | C3 | C4 | H41 | 126.1° | 95.9° |
| C2 | C3 | C4 | H42 | 124.4° | 141.8° |
| C3 | C2 | N | C5 | 0.1° | 13.7° |
| C2 | C3 | C10 | H101 | 180.0° | 89.8° |
| C2 | C3 | C10 | H102 | 54.7° | 150.2° |
| C2 | C3 | C10 | H103 | 54.7° | 30.2° |
| C2 | C3 | C11 | H111 | 180.0° | 70.4° |
| C2 | C3 | C11 | H112 | 54.7° | 169.6° |
| C2 | C3 | C11 | H113 | 54.7° | 49.5° |
| N | C2 | H21 | H22A | 121.2° | 118.8° |
| N | C2 | C3 | C4 | 0.6° | 21.2° |
| N | C2 | C3 | C10 | 111.9° | 141.5° |
| N | C2 | C3 | C11 | 125.7° | 97.3° |
| C2 | N | C5 | C4 | 0.4° | 0.2° |
| C2 | N | C5 | C6 | 180.0° | 179.6° |
| H21 | C2 | C3 | C4 | 124.6° | 93.7° |
| H21 | C2 | C3 | C10 | 13.3° | 26.7° |
| H21 | C2 | C3 | C11 | 109.1° | 147.9° |
| H21 | C2 | N | C5 | 125.2° | 105.4° |
| H22A | C2 | C3 | C4 | 125.9° | 138.6° |
| H22A | C2 | C3 | C10 | 122.9° | 101.1° |
| H22A | C2 | C3 | C11 | 0.5° | 20.2° |
| H22A | C2 | N | C5 | 125.4° | 134.5° |
| C4 | C3 | C10 | C11 | 118.5° | 121.7° |
| C3 | C4 | C5 | H41 | 125.2° | 118.2° |
| C3 | C4 | C5 | H42 | 125.3° | 120.4° |
| C3 | C4 | H41 | H42 | 120.9° | 124.1° |
| C3 | C4 | C5 | C6 | 179.7° | 165.9° |
| C3 | C4 | C5 | N | 0.8° | 13.9° |
| C4 | C3 | C10 | H101 | 60.7° | 26.9° |
| C4 | C3 | C10 | H102 | 174.0° | 93.1° |
| C4 | C3 | C10 | H103 | 64.6° | 146.8° |
| C4 | C3 | C11 | H111 | 54.5° | 174.3° |
| C4 | C3 | C11 | H112 | 70.8° | 54.3° |
| C4 | C3 | C11 | H113 | 179.8° | 65.8° |
| C10 | C3 | C4 | C5 | 122.6° | 141.6° |
| C10 | C3 | C4 | H41 | 112.2° | 24.3° |
| C10 | C3 | C4 | H42 | 2.7° | 98.0° |
| C3 | C10 | H101 | H102 | 125.2° | 121.3° |
| C3 | C10 | H101 | H103 | 125.2° | 121.3° |
| C3 | C10 | H102 | H103 | 115.8° | 121.4° |
| C10 | C3 | C11 | H111 | 53.8° | 51.9° |
| C10 | C3 | C11 | H112 | 179.0° | 68.1° |
| C10 | C3 | C11 | H113 | 71.6° | 171.8° |
| C11 | C3 | C4 | C5 | 122.7° | 97.1° |
| C11 | C3 | C4 | H41 | 2.5° | 145.6° |
| C11 | C3 | C4 | H42 | 112.1° | 23.4° |
| C11 | C3 | C10 | H101 | 57.8° | 148.6° |
| C11 | C3 | C10 | H102 | 67.5° | 28.6° |
| C11 | C3 | C10 | H103 | 176.9° | 91.5° |
| C3 | C11 | H111 | H112 | 125.3° | 121.3° |
| C3 | C11 | H111 | H113 | 125.3° | 121.3° |
| C3 | C11 | H112 | H113 | 118.4° | 121.4° |
| C5 | C4 | H41 | H42 | 120.9° | 123.4° |
| C4 | C5 | C6 | N | 179.5° | 179.8° |
| C4 | C5 | C6 | C7 | 179.6° | 179.6° |
| C4 | C5 | C6 | C12 | 0.6° | 0.3° |
| H41 | C4 | C5 | C6 | 54.5° | 75.9° |
| H41 | C4 | C5 | N | 126.0° | 104.3° |
| H42 | C4 | C5 | C6 | 55.0° | 45.5° |
| H42 | C4 | C5 | N | 124.5° | 134.3° |
| C5 | C6 | C7 | C12 | 179.7° | 179.8° |
| C5 | C6 | C7 | C18 | 179.9° | 179.9° |
| C5 | C6 | C12 | C13 | 0.2° | 89.8° |
| C5 | C6 | C12 | C17 | 179.7° | 90.2° |
| N | C5 | C6 | C7 | 0.1° | 0.3° |
| N | C5 | C6 | C12 | 179.9° | 179.9° |
| C7 | C6 | C12 | C13 | 179.9° | 90.0° |
| C7 | C6 | C12 | C17 | 0.0° | 90.0° |
| C6 | C7 | C18 | C19 | 0.4° | 90.0° |
| C6 | C7 | C18 | C23 | 179.8° | 90.1° |
| C12 | C6 | C7 | C18 | 0.2° | 0.0° |
| C6 | C12 | C13 | C17 | 179.9° | 180.0° |
| C6 | C12 | C13 | C14 | 179.8° | 179.9° |
| C6 | C12 | C13 | H13 | 0.2° | 0.1° |
| C6 | C12 | C17 | C16 | 179.8° | 179.9° |
| C6 | C12 | C17 | H17 | 0.2° | 0.0° |
| C7 | C18 | C19 | C23 | 179.8° | 179.9° |
| C7 | C18 | C19 | C20 | 179.9° | 180.0° |
| C7 | C18 | C19 | H19 | 0.1° | 0.1° |
| C7 | C18 | C23 | C22 | 179.9° | 180.0° |
| C7 | C18 | C23 | H23 | 0.1° | 0.1° |
| C9 | C8 | H81 | H82 | 117.1° | 114.1° |
| C8 | C9 | O1 | O2 | 179.8° | 177.9° |
| C8 | C9 | O1 | HO1 | 179.9° | 177.9° |
| H81 | C8 | C9 | O1 | 22.1° | 57.9° |
| H81 | C8 | C9 | O2 | 158.2° | 120.0° |
| H82 | C8 | C9 | O1 | 131.5° | 54.4° |
| H82 | C8 | C9 | O2 | 48.7° | 127.8° |
| O2 | C9 | O1 | HO1 | 0.3° | 0.1° |
| H101 | C10 | H102 | H103 | 116.0° | 117.3° |
| H111 | C11 | H112 | H113 | 118.5° | 117.3° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 0.1° | 0.1° |
| C13 | C12 | C17 | H17 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.1° | 0.0° |
| C17 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.0° | 0.1° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 179.9° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 179.9° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 0.1° | 0.1° |
| C19 | C18 | C23 | H23 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.1° | 0.1° |
| C23 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C23 | C22 | C21 | 0.1° | 0.0° |
| C18 | C23 | C22 | H23 | 180.0° | 179.9° |
| C18 | C23 | C22 | H22 | 179.9° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | CL1 | 177.4° | 180.0° |
| H19 | C19 | C20 | C21 | 180.0° | 180.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| C20 | C21 | C22 | CL1 | 177.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 180.0° | 179.9° |
| H20 | C20 | C21 | CL1 | 2.6° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| CL1 | C21 | C22 | C23 | 177.0° | 180.0° |
| CL1 | C21 | C22 | H22 | 3.0° | 0.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
