PFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.55Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | HC7 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.50Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 118.9° | 106.8° |
| O1 | C1 | C2 | 118.9° | 120.0° |
| O1 | C1 | C6 | 118.7° | 120.0° |
| C2 | C1 | C6 | 122.4° | 119.9° |
| C1 | C2 | C3 | 117.1° | 120.0° |
| C1 | C2 | C7 | 120.8° | 120.1° |
| C1 | C6 | C5 | 116.7° | 120.0° |
| C1 | C6 | C10 | 121.5° | 120.1° |
| C3 | C2 | C7 | 122.1° | 119.9° |
| C2 | C3 | C4 | 121.5° | 120.0° |
| C2 | C3 | HC3 | 120.4° | 120.0° |
| C2 | C7 | C8 | 110.3° | 109.5° |
| C2 | C7 | C9 | 114.3° | 109.6° |
| C2 | C7 | HC7 | 104.8° | 109.4° |
| C5 | C6 | C10 | 121.8° | 119.9° |
| C6 | C5 | C4 | 121.9° | 120.0° |
| C6 | C5 | HC5 | 120.8° | 120.0° |
| C6 | C10 | C11 | 111.7° | 109.5° |
| C6 | C10 | C12 | 110.6° | 109.5° |
| C6 | C10 | H10 | 107.2° | 109.4° |
| C4 | C3 | HC3 | 118.2° | 119.9° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | HC4 | 120.1° | 119.9° |
| C8 | C7 | C9 | 107.0° | 109.5° |
| C8 | C7 | HC7 | 112.4° | 109.4° |
| C7 | C8 | H81 | 110.3° | 109.5° |
| C7 | C8 | H82 | 111.9° | 109.5° |
| C7 | C8 | H83 | 111.9° | 109.4° |
| C9 | C7 | HC7 | 108.2° | 109.5° |
| C7 | C9 | H91 | 114.3° | 109.5° |
| C7 | C9 | H92 | 110.5° | 109.4° |
| C7 | C9 | H93 | 110.5° | 109.5° |
| C5 | C4 | HC4 | 119.5° | 119.9° |
| C4 | C5 | HC5 | 117.3° | 119.9° |
| C11 | C10 | C12 | 109.5° | 109.5° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | H111 | 111.7° | 109.4° |
| C10 | C11 | H112 | 111.4° | 109.5° |
| C10 | C11 | H113 | 111.4° | 109.5° |
| C12 | C10 | H10 | 109.5° | 109.5° |
| C10 | C12 | H121 | 110.6° | 109.5° |
| C10 | C12 | H122 | 111.8° | 109.5° |
| C10 | C12 | H123 | 111.8° | 109.5° |
| H81 | C8 | H82 | 111.9° | 109.5° |
| H81 | C8 | H83 | 112.0° | 109.4° |
| H82 | C8 | H83 | 98.5° | 109.5° |
| H91 | C9 | H92 | 110.4° | 109.4° |
| H91 | C9 | H93 | 110.5° | 109.5° |
| H92 | C9 | H93 | 99.8° | 109.5° |
| H111 | C11 | H112 | 111.4° | 109.5° |
| H111 | C11 | H113 | 111.4° | 109.5° |
| H112 | C11 | H113 | 99.0° | 109.5° |
| H121 | C12 | H122 | 111.8° | 109.5° |
| H121 | C12 | H123 | 111.8° | 109.5° |
| H122 | C12 | H123 | 98.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.5° | 179.5° |
| O1 | C1 | C2 | C3 | 180.0° | 179.9° |
| O1 | C1 | C2 | C7 | 0.2° | 0.2° |
| O1 | C1 | C6 | C5 | 180.0° | 180.0° |
| O1 | C1 | C6 | C10 | 0.4° | 0.2° |
| HO1 | O1 | C1 | C2 | 179.9° | 90.5° |
| HO1 | O1 | C1 | C6 | 0.5° | 90.0° |
| C1 | C2 | C3 | C7 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | C10 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | HC3 | 179.6° | 179.8° |
| C1 | C2 | C7 | C8 | 80.0° | 119.7° |
| C1 | C2 | C7 | C9 | 159.4° | 120.2° |
| C1 | C2 | C7 | HC7 | 41.1° | 0.2° |
| C6 | C1 | C2 | C3 | 0.5° | 0.4° |
| C6 | C1 | C2 | C7 | 179.7° | 179.7° |
| C1 | C6 | C5 | C10 | 179.6° | 179.8° |
| C1 | C6 | C5 | C4 | 0.2° | 0.2° |
| C1 | C6 | C5 | HC5 | 179.7° | 179.8° |
| C1 | C6 | C10 | C11 | 151.8° | 120.2° |
| C1 | C6 | C10 | C12 | 86.0° | 119.7° |
| C1 | C6 | C10 | H10 | 33.4° | 0.3° |
| C2 | C3 | C4 | HC3 | 179.9° | 179.9° |
| C3 | C2 | C7 | C8 | 100.2° | 60.1° |
| C3 | C2 | C7 | C9 | 20.3° | 59.9° |
| C3 | C2 | C7 | HC7 | 138.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | HC4 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 179.9° | 180.0° |
| C7 | C2 | C3 | HC3 | 0.2° | 0.1° |
| C2 | C7 | C8 | C9 | 124.8° | 120.1° |
| C2 | C7 | C8 | HC7 | 116.5° | 119.9° |
| C2 | C7 | C9 | HC7 | 116.3° | 120.0° |
| C2 | C7 | C8 | H81 | 180.0° | 180.0° |
| C2 | C7 | C8 | H82 | 54.7° | 59.9° |
| C2 | C7 | C8 | H83 | 54.7° | 60.1° |
| C2 | C7 | C9 | H91 | 180.0° | 60.0° |
| C2 | C7 | C9 | H92 | 54.7° | 59.9° |
| C2 | C7 | C9 | H93 | 54.7° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | HC5 | 180.0° | 180.0° |
| C6 | C5 | C4 | HC4 | 179.9° | 180.0° |
| C5 | C6 | C10 | C11 | 27.8° | 60.0° |
| C5 | C6 | C10 | C12 | 94.4° | 60.1° |
| C5 | C6 | C10 | H10 | 146.2° | 179.9° |
| C10 | C6 | C5 | C4 | 179.8° | 180.0° |
| C10 | C6 | C5 | HC5 | 0.1° | 0.0° |
| C6 | C10 | C11 | C12 | 122.9° | 120.1° |
| C6 | C10 | C11 | H10 | 117.8° | 119.9° |
| C6 | C10 | C12 | H10 | 117.9° | 119.9° |
| C6 | C10 | C11 | H111 | 180.0° | 180.0° |
| C6 | C10 | C11 | H112 | 54.7° | 60.0° |
| C6 | C10 | C11 | H113 | 54.7° | 60.1° |
| C6 | C10 | C12 | H121 | 180.0° | 60.1° |
| C6 | C10 | C12 | H122 | 54.7° | 60.0° |
| C6 | C10 | C12 | H123 | 54.7° | 179.9° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| C3 | C4 | C5 | HC5 | 179.9° | 179.9° |
| HC3 | C3 | C4 | C5 | 179.8° | 180.0° |
| HC3 | C3 | C4 | HC4 | 0.2° | 0.1° |
| C8 | C7 | C9 | HC7 | 121.3° | 120.0° |
| C7 | C8 | H81 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H83 | 125.2° | 119.9° |
| C7 | C8 | H82 | H83 | 117.8° | 120.0° |
| C8 | C7 | C9 | H91 | 57.6° | 60.1° |
| C8 | C7 | C9 | H92 | 177.1° | 180.0° |
| C8 | C7 | C9 | H93 | 67.7° | 60.0° |
| C9 | C7 | C8 | H81 | 55.2° | 59.9° |
| C9 | C7 | C8 | H82 | 70.1° | 180.0° |
| C9 | C7 | C8 | H83 | 179.6° | 60.0° |
| C7 | C9 | H91 | H92 | 125.3° | 119.9° |
| C7 | C9 | H91 | H93 | 125.3° | 120.1° |
| C7 | C9 | H92 | H93 | 116.3° | 120.0° |
| HC7 | C7 | C8 | H81 | 63.5° | 60.1° |
| HC7 | C7 | C8 | H82 | 171.3° | 60.0° |
| HC7 | C7 | C8 | H83 | 61.8° | 180.0° |
| HC7 | C7 | C9 | H91 | 63.7° | 180.0° |
| HC7 | C7 | C9 | H92 | 61.6° | 60.0° |
| HC7 | C7 | C9 | H93 | 171.0° | 60.0° |
| HC4 | C4 | C5 | HC5 | 0.1° | 0.0° |
| C11 | C10 | C12 | H10 | 118.6° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.2° | 120.0° |
| C10 | C11 | H112 | H113 | 117.3° | 120.0° |
| C11 | C10 | C12 | H121 | 56.5° | 60.0° |
| C11 | C10 | C12 | H122 | 178.3° | 180.0° |
| C11 | C10 | C12 | H123 | 68.8° | 60.0° |
| C12 | C10 | C11 | H111 | 57.1° | 60.0° |
| C12 | C10 | C11 | H112 | 68.1° | 180.0° |
| C12 | C10 | C11 | H113 | 177.6° | 60.0° |
| C10 | C12 | H121 | H122 | 125.2° | 120.0° |
| C10 | C12 | H121 | H123 | 125.3° | 120.0° |
| C10 | C12 | H122 | H123 | 117.7° | 120.0° |
| H10 | C10 | C11 | H111 | 62.2° | 60.0° |
| H10 | C10 | C11 | H112 | 172.5° | 60.0° |
| H10 | C10 | C11 | H113 | 63.0° | 180.0° |
| H10 | C10 | C12 | H121 | 62.1° | 180.0° |
| H10 | C10 | C12 | H122 | 63.1° | 60.0° |
| H10 | C10 | C12 | H123 | 172.6° | 60.0° |
| H81 | C8 | H82 | H83 | 117.9° | 120.0° |
| H91 | C9 | H92 | H93 | 116.3° | 120.0° |
| H111 | C11 | H112 | H113 | 117.2° | 120.0° |
| H121 | C12 | H122 | H123 | 117.7° | 120.0° |
