LF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| BR1 | C1 | sing | 1.89Å | 1.88Å | |
| C1 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | N16 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| N16 | C15 | sing | 1.31Å | 1.35Å | Aromatic |
| O20 | C18 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C13 | doub | 1.42Å | 1.42Å | Aromatic |
| C33 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C27 | sing | 1.48Å | 1.49Å | |
| C14 | C18 | sing | 1.51Å | 1.47Å | |
| C27 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C30 | CL1 | sing | 1.74Å | 1.76Å | |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | O25 | doub | 1.21Å | 1.26Å | |
| C19 | O26 | sing | 1.34Å | 1.24Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| O26 | H14 | sing | 0.97Å | 0.95Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C21 | C23 | 107.6° | 109.5° |
| C24 | C21 | C22 | 109.6° | 109.5° |
| C24 | C21 | O20 | 109.9° | 109.5° |
| C21 | C24 | H11 | 109.5° | 109.5° |
| C21 | C24 | H12 | 109.5° | 109.5° |
| C21 | C24 | H13 | 109.5° | 109.4° |
| C23 | C21 | C22 | 109.0° | 109.5° |
| C23 | C21 | O20 | 104.7° | 109.4° |
| C21 | C23 | H8 | 109.5° | 109.4° |
| C21 | C23 | H9 | 109.5° | 109.4° |
| C21 | C23 | H10 | 109.4° | 109.4° |
| C22 | C21 | O20 | 115.7° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C21 | C22 | H6 | 109.5° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | O20 | C18 | 117.8° | 114.0° |
| C5 | C6 | C1 | 119.6° | 121.1° |
| C6 | C5 | C4 | 117.6° | 119.8° |
| C6 | C5 | H2 | 121.2° | 120.1° |
| C5 | C6 | H3 | 120.2° | 119.5° |
| C6 | C1 | BR1 | 118.7° | 119.6° |
| C6 | C1 | C2 | 123.3° | 120.7° |
| C1 | C6 | H3 | 120.2° | 119.5° |
| C5 | C4 | N16 | 117.3° | 120.9° |
| C5 | C4 | C3 | 123.1° | 119.0° |
| C4 | C5 | H2 | 121.2° | 120.1° |
| BR1 | C1 | C2 | 118.0° | 119.6° |
| C1 | C2 | C3 | 118.3° | 119.7° |
| C1 | C2 | H1 | 120.8° | 120.1° |
| N16 | C4 | C3 | 119.6° | 120.0° |
| C4 | N16 | C15 | 122.8° | 121.8° |
| C4 | C3 | C2 | 118.1° | 119.8° |
| C4 | C3 | C13 | 119.8° | 118.9° |
| C31 | C32 | C27 | 117.7° | 119.9° |
| C32 | C31 | C30 | 118.9° | 120.1° |
| C32 | C31 | H17 | 120.6° | 120.0° |
| C31 | C32 | H18 | 121.2° | 120.0° |
| C32 | C27 | C13 | 117.3° | 120.2° |
| C32 | C27 | C28 | 122.3° | 119.7° |
| C27 | C32 | H18 | 121.2° | 120.1° |
| N16 | C15 | C33 | 113.3° | 119.1° |
| N16 | C15 | C14 | 119.9° | 121.9° |
| O20 | C18 | C14 | 108.7° | 109.4° |
| O20 | C18 | C19 | 106.7° | 109.5° |
| O20 | C18 | H4 | 111.0° | 109.5° |
| C2 | C3 | C13 | 122.1° | 121.4° |
| C3 | C2 | H1 | 120.9° | 120.2° |
| C31 | C30 | CL1 | 118.2° | 119.9° |
| C31 | C30 | C29 | 123.3° | 120.3° |
| C30 | C31 | H17 | 120.6° | 119.9° |
| C3 | C13 | C14 | 118.5° | 117.8° |
| C3 | C13 | C27 | 121.9° | 121.1° |
| C33 | C15 | C14 | 126.8° | 119.0° |
| C15 | C33 | H19 | 109.5° | 109.4° |
| C15 | C33 | H20 | 109.5° | 109.4° |
| C15 | C33 | H21 | 109.5° | 109.5° |
| C15 | C14 | C13 | 119.3° | 119.6° |
| C15 | C14 | C18 | 121.9° | 120.2° |
| C14 | C13 | C27 | 119.5° | 121.1° |
| C13 | C14 | C18 | 118.8° | 120.2° |
| C13 | C27 | C28 | 120.4° | 120.1° |
| C14 | C18 | C19 | 110.4° | 109.5° |
| C14 | C18 | H4 | 110.2° | 109.5° |
| C27 | C28 | C29 | 120.3° | 119.9° |
| C27 | C28 | H15 | 119.9° | 120.1° |
| C18 | C19 | O25 | 118.7° | 120.0° |
| C18 | C19 | O26 | 117.3° | 120.0° |
| C19 | C18 | H4 | 109.8° | 109.5° |
| CL1 | C30 | C29 | 118.5° | 119.9° |
| C30 | C29 | C28 | 117.6° | 120.1° |
| C30 | C29 | H16 | 121.2° | 119.9° |
| C29 | C28 | H15 | 119.9° | 120.0° |
| C28 | C29 | H16 | 121.2° | 120.0° |
| O25 | C19 | O26 | 124.0° | 120.0° |
| C19 | O26 | H14 | 109.5° | 117.0° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.4° | 109.5° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H8 | C23 | H10 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.4° | 109.5° |
| H11 | C24 | H13 | 109.4° | 109.4° |
| H12 | C24 | H13 | 109.4° | 109.4° |
| H19 | C33 | H20 | 109.5° | 109.5° |
| H19 | C33 | H21 | 109.4° | 109.4° |
| H20 | C33 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C21 | C23 | C22 | 118.8° | 120.0° |
| C24 | C21 | C23 | O20 | 116.9° | 120.0° |
| C24 | C21 | C22 | O20 | 124.9° | 120.0° |
| C24 | C21 | O20 | C18 | 79.9° | 60.0° |
| C24 | C21 | C22 | H5 | 180.0° | 180.0° |
| C24 | C21 | C22 | H6 | 60.0° | 60.0° |
| C24 | C21 | C22 | H7 | 60.0° | 60.0° |
| C24 | C21 | C23 | H8 | 180.0° | 180.0° |
| C24 | C21 | C23 | H9 | 60.0° | 60.0° |
| C24 | C21 | C23 | H10 | 60.0° | 60.0° |
| C21 | C24 | H11 | H12 | 120.0° | 120.1° |
| C21 | C24 | H11 | H13 | 120.0° | 119.9° |
| C21 | C24 | H12 | H13 | 120.0° | 120.0° |
| C23 | C21 | C22 | O20 | 117.6° | 120.0° |
| C23 | C21 | O20 | C18 | 164.7° | 180.0° |
| C23 | C21 | C22 | H5 | 62.5° | 60.0° |
| C23 | C21 | C22 | H6 | 57.6° | 60.0° |
| C23 | C21 | C22 | H7 | 177.6° | 180.0° |
| C21 | C23 | H8 | H9 | 120.0° | 119.9° |
| C21 | C23 | H8 | H10 | 120.0° | 119.9° |
| C21 | C23 | H9 | H10 | 120.0° | 119.9° |
| C23 | C21 | C24 | H11 | 180.0° | 60.1° |
| C23 | C21 | C24 | H12 | 60.0° | 60.0° |
| C23 | C21 | C24 | H13 | 60.0° | 180.0° |
| C22 | C21 | O20 | C18 | 44.8° | 60.0° |
| C21 | C22 | H5 | H6 | 120.0° | 120.0° |
| C21 | C22 | H5 | H7 | 120.0° | 120.0° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | C21 | C23 | H8 | 61.2° | 60.0° |
| C22 | C21 | C23 | H9 | 178.7° | 180.0° |
| C22 | C21 | C23 | H10 | 58.8° | 60.0° |
| C22 | C21 | C24 | H11 | 61.6° | 60.0° |
| C22 | C21 | C24 | H12 | 58.4° | 179.9° |
| C22 | C21 | C24 | H13 | 178.4° | 60.0° |
| C21 | O20 | C18 | C14 | 85.6° | 150.0° |
| C21 | O20 | C18 | C19 | 155.4° | 90.0° |
| C21 | O20 | C18 | H4 | 35.7° | 30.0° |
| O20 | C21 | C22 | H5 | 55.1° | 60.0° |
| O20 | C21 | C22 | H6 | 175.2° | 180.0° |
| O20 | C21 | C22 | H7 | 64.9° | 60.0° |
| O20 | C21 | C23 | H8 | 63.1° | 60.0° |
| O20 | C21 | C23 | H9 | 56.9° | 60.0° |
| O20 | C21 | C23 | H10 | 176.9° | 180.0° |
| O20 | C21 | C24 | H11 | 66.6° | 180.0° |
| O20 | C21 | C24 | H12 | 173.4° | 59.9° |
| O20 | C21 | C24 | H13 | 53.4° | 60.0° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | BR1 | 179.7° | 179.7° |
| C5 | C6 | C1 | C2 | 2.1° | 0.1° |
| C6 | C5 | C4 | N16 | 179.2° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C1 | C6 | C5 | C4 | 2.1° | 0.1° |
| C6 | C1 | BR1 | C2 | 178.3° | 179.7° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | H1 | 179.1° | 180.0° |
| C1 | C6 | C5 | H2 | 177.9° | 180.0° |
| C5 | C4 | N16 | C3 | 179.9° | 179.9° |
| C5 | C4 | N16 | C15 | 179.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | C13 | 178.3° | 180.0° |
| C4 | C5 | C6 | H3 | 177.9° | 179.9° |
| BR1 | C1 | C2 | C3 | 179.1° | 179.7° |
| BR1 | C1 | C2 | H1 | 0.9° | 0.4° |
| BR1 | C1 | C6 | H3 | 0.3° | 0.3° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C13 | 178.3° | 180.0° |
| C2 | C1 | C6 | H3 | 177.8° | 180.0° |
| N16 | C4 | C3 | C2 | 179.6° | 180.0° |
| N16 | C4 | C3 | C13 | 1.6° | 0.1° |
| C4 | N16 | C15 | C33 | 178.8° | 179.9° |
| C4 | N16 | C15 | C14 | 0.6° | 0.1° |
| N16 | C4 | C5 | H2 | 0.9° | 0.1° |
| C3 | C4 | N16 | C15 | 0.9° | 0.1° |
| C4 | C3 | C2 | C13 | 178.0° | 180.0° |
| C4 | C3 | C13 | C14 | 2.1° | 0.0° |
| C4 | C3 | C13 | C27 | 178.4° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H2 | 179.0° | 180.0° |
| C31 | C32 | C27 | H18 | 180.0° | 179.5° |
| C32 | C31 | C30 | H17 | 180.0° | 179.7° |
| C31 | C32 | C27 | C13 | 178.8° | 179.8° |
| C31 | C32 | C27 | C28 | 1.3° | 0.5° |
| C32 | C31 | C30 | CL1 | 179.4° | 179.7° |
| C32 | C31 | C30 | C29 | 1.2° | 0.3° |
| C27 | C32 | C31 | C30 | 1.7° | 0.5° |
| C32 | C27 | C13 | C3 | 67.0° | 115.3° |
| C32 | C27 | C13 | C14 | 109.3° | 64.6° |
| C32 | C27 | C13 | C28 | 179.9° | 179.7° |
| C32 | C27 | C28 | C29 | 0.3° | 0.3° |
| C32 | C27 | C28 | H15 | 179.7° | 179.7° |
| C27 | C32 | C31 | H17 | 178.3° | 179.7° |
| N16 | C15 | C33 | C14 | 179.4° | 179.9° |
| N16 | C15 | C14 | C13 | 1.1° | 0.1° |
| N16 | C15 | C14 | C18 | 178.6° | 179.9° |
| N16 | C15 | C33 | H19 | 0.0° | 96.6° |
| N16 | C15 | C33 | H20 | 120.0° | 23.4° |
| N16 | C15 | C33 | H21 | 120.0° | 143.4° |
| O20 | C18 | C14 | C15 | 43.1° | 48.1° |
| O20 | C18 | C14 | C13 | 136.6° | 132.0° |
| O20 | C18 | C14 | C19 | 116.7° | 120.0° |
| O20 | C18 | C14 | H4 | 121.8° | 120.0° |
| O20 | C18 | C19 | H4 | 120.4° | 120.0° |
| O20 | C18 | C19 | O25 | 32.2° | 5.0° |
| O20 | C18 | C19 | O26 | 147.2° | 175.0° |
| C2 | C3 | C13 | C14 | 180.0° | 180.0° |
| C2 | C3 | C13 | C27 | 3.7° | 0.1° |
| C31 | C30 | CL1 | C29 | 179.4° | 180.0° |
| C31 | C30 | C29 | C28 | 0.2° | 0.0° |
| C31 | C30 | C29 | H16 | 179.8° | 180.0° |
| C30 | C31 | C32 | H18 | 178.4° | 180.0° |
| C3 | C13 | C14 | C15 | 1.8° | 0.1° |
| C3 | C13 | C14 | C27 | 176.4° | 179.9° |
| C3 | C13 | C14 | C18 | 177.9° | 180.0° |
| C3 | C13 | C27 | C28 | 112.9° | 65.0° |
| C13 | C3 | C2 | H1 | 1.7° | 0.1° |
| C33 | C15 | C14 | C13 | 178.3° | 180.0° |
| C33 | C15 | C14 | C18 | 2.0° | 0.0° |
| C15 | C33 | H19 | H20 | 120.0° | 120.0° |
| C15 | C33 | H19 | H21 | 120.0° | 120.0° |
| C15 | C33 | H20 | H21 | 120.0° | 120.0° |
| C15 | C14 | C13 | C18 | 179.7° | 180.0° |
| C15 | C14 | C13 | C27 | 178.2° | 180.0° |
| C15 | C14 | C18 | C19 | 73.7° | 71.9° |
| C15 | C14 | C18 | H4 | 164.9° | 168.1° |
| C14 | C15 | C33 | H19 | 179.4° | 83.4° |
| C14 | C15 | C33 | H20 | 60.6° | 156.5° |
| C14 | C15 | C33 | H21 | 59.4° | 36.5° |
| C14 | C13 | C27 | C28 | 70.8° | 115.1° |
| C13 | C14 | C18 | C19 | 106.6° | 108.0° |
| C13 | C14 | C18 | H4 | 14.8° | 12.0° |
| C27 | C13 | C14 | C18 | 1.5° | 0.1° |
| C13 | C27 | C28 | C29 | 179.8° | 180.0° |
| C13 | C27 | C28 | H15 | 0.2° | 0.0° |
| C13 | C27 | C32 | H18 | 1.2° | 0.3° |
| C14 | C18 | C19 | H4 | 121.6° | 120.0° |
| C14 | C18 | C19 | O25 | 150.2° | 115.0° |
| C14 | C18 | C19 | O26 | 29.2° | 65.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H15 | 180.0° | 180.0° |
| C27 | C28 | C29 | H16 | 179.8° | 180.0° |
| C28 | C27 | C32 | H18 | 178.7° | 180.0° |
| C18 | C19 | O25 | O26 | 179.4° | 180.0° |
| C18 | C19 | O26 | H14 | 179.4° | 180.0° |
| CL1 | C30 | C29 | C28 | 179.6° | 180.0° |
| CL1 | C30 | C29 | H16 | 0.4° | 0.0° |
| CL1 | C30 | C31 | H17 | 0.6° | 0.0° |
| C30 | C29 | C28 | H16 | 180.0° | 180.0° |
| C30 | C29 | C28 | H15 | 179.8° | 180.0° |
| C29 | C30 | C31 | H17 | 178.8° | 180.0° |
| O25 | C19 | C18 | H4 | 88.2° | 125.0° |
| O25 | C19 | O26 | H14 | 0.0° | 0.0° |
| O26 | C19 | C18 | H4 | 92.4° | 55.0° |
| H2 | C5 | C6 | H3 | 2.1° | 0.0° |
| H5 | C22 | H6 | H7 | 119.9° | 120.0° |
| H8 | C23 | H9 | H10 | 120.0° | 120.1° |
| H11 | C24 | H12 | H13 | 119.9° | 120.0° |
| H15 | C28 | C29 | H16 | 0.2° | 0.0° |
| H17 | C31 | C32 | H18 | 1.7° | 0.2° |
| H19 | C33 | H20 | H21 | 120.0° | 120.0° |
