FAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C1 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | H1L | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N16 | sing | 1.39Å | 1.46Å | |
| C4 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.39Å | 1.46Å | |
| C17 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.46Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.39Å | |
| N7 | C8 | sing | 1.40Å | 1.48Å | |
| N7 | H7 | sing | 0.97Å | 1.02Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| O23 | C24 | sing | 1.43Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | F14 | sing | 1.35Å | 1.37Å | |
| C8 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | F15 | sing | 1.35Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | O30 | sing | 1.43Å | 1.39Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C26 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| N27 | C28 | sing | 1.47Å | 1.49Å | |
| N27 | C29 | sing | 1.47Å | 1.49Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C22 | C21 | 120.2° | 120.0° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C22 | C17 | C18 | 119.2° | 120.0° |
| C22 | C17 | N16 | 117.9° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| N2 | C1 | N6 | 126.1° | 121.9° |
| N2 | C1 | H1L | 116.9° | 119.1° |
| C1 | N2 | C3 | 118.3° | 120.9° |
| N6 | C1 | H1L | 116.9° | 119.0° |
| C1 | N6 | C5 | 118.1° | 120.9° |
| C4 | C5 | N6 | 120.5° | 119.1° |
| C4 | C5 | N16 | 122.7° | 120.5° |
| C5 | C4 | C3 | 116.5° | 118.3° |
| C5 | C4 | H4 | 121.8° | 120.9° |
| N6 | C5 | N16 | 116.8° | 120.4° |
| C5 | N16 | C17 | 135.7° | 120.0° |
| C5 | N16 | H16 | 112.1° | 120.0° |
| C3 | C4 | H4 | 121.7° | 120.8° |
| C4 | C3 | N2 | 120.4° | 119.0° |
| C4 | C3 | N7 | 123.1° | 120.5° |
| N2 | C3 | N7 | 116.5° | 120.5° |
| C3 | N7 | C8 | 135.9° | 120.0° |
| C3 | N7 | H7 | 112.0° | 120.0° |
| C18 | C17 | N16 | 122.9° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C17 | N16 | H16 | 112.1° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.1° |
| C18 | C19 | C20 | 120.2° | 120.1° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.5° | 120.0° |
| C19 | C20 | O23 | 115.5° | 120.0° |
| C21 | C20 | O23 | 125.0° | 120.0° |
| C20 | C21 | H21 | 119.9° | 119.9° |
| C20 | O23 | C24 | 124.7° | 106.8° |
| C8 | N7 | H7 | 112.0° | 120.0° |
| N7 | C8 | C9 | 117.2° | 120.1° |
| N7 | C8 | C13 | 124.4° | 120.1° |
| O23 | C24 | C25 | 111.8° | 109.6° |
| O23 | C24 | H241 | 111.3° | 109.5° |
| O23 | C24 | H242 | 111.3° | 109.4° |
| C25 | C24 | H241 | 111.3° | 109.5° |
| C25 | C24 | H242 | 111.4° | 109.4° |
| C24 | C25 | C26 | 117.9° | 109.6° |
| C24 | C25 | O30 | 112.0° | 109.5° |
| C24 | C25 | H25 | 104.2° | 109.4° |
| H241 | C24 | H242 | 99.0° | 109.4° |
| C10 | C11 | C12 | 120.2° | 120.2° |
| C10 | C11 | H11 | 119.9° | 119.9° |
| C11 | C10 | C9 | 120.4° | 120.1° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.2° | 120.1° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | C8 | 120.4° | 119.9° |
| C10 | C9 | F14 | 118.5° | 120.0° |
| C8 | C9 | F14 | 121.0° | 120.1° |
| C9 | C8 | C13 | 118.4° | 119.9° |
| C8 | C13 | C12 | 120.3° | 119.9° |
| C8 | C13 | F15 | 122.3° | 120.0° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | F15 | 117.4° | 120.1° |
| C26 | C25 | O30 | 112.7° | 109.5° |
| C26 | C25 | H25 | 104.2° | 109.4° |
| C25 | C26 | N27 | 117.4° | 109.5° |
| C25 | C26 | H261 | 109.3° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.4° |
| O30 | C25 | H25 | 104.2° | 109.4° |
| C25 | O30 | H30 | 112.0° | 106.8° |
| N27 | C26 | H261 | 109.4° | 109.5° |
| N27 | C26 | H262 | 109.3° | 109.5° |
| C26 | N27 | C28 | 113.4° | 106.7° |
| C26 | N27 | C29 | 111.9° | 106.7° |
| H261 | C26 | H262 | 100.8° | 109.5° |
| C28 | N27 | C29 | 109.9° | 106.6° |
| N27 | C28 | H281 | 113.4° | 109.5° |
| N27 | C28 | H282 | 110.8° | 109.4° |
| N27 | C28 | H283 | 110.8° | 109.5° |
| N27 | C29 | H291 | 111.9° | 109.4° |
| N27 | C29 | H292 | 111.3° | 109.5° |
| N27 | C29 | H293 | 111.3° | 109.5° |
| H281 | C28 | H282 | 110.8° | 109.4° |
| H281 | C28 | H283 | 110.7° | 109.5° |
| H282 | C28 | H283 | 99.5° | 109.5° |
| H291 | C29 | H292 | 111.3° | 109.4° |
| H291 | C29 | H293 | 111.3° | 109.5° |
| H292 | C29 | H293 | 99.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C22 | C21 | H22 | 180.0° | 179.7° |
| C22 | C17 | N16 | C5 | 131.8° | 144.6° |
| C22 | C17 | C18 | N16 | 179.8° | 179.9° |
| C22 | C17 | C18 | C19 | 0.3° | 0.0° |
| C22 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C22 | C21 | C20 | 0.0° | 0.5° |
| C22 | C17 | N16 | H16 | 48.2° | 35.4° |
| C17 | C22 | C21 | H21 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.2° | 0.2° |
| C21 | C22 | C17 | N16 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.5° |
| C22 | C21 | C20 | H21 | 180.0° | 179.5° |
| C22 | C21 | C20 | O23 | 179.7° | 179.7° |
| H22 | C22 | C17 | C18 | 179.8° | 179.9° |
| H22 | C22 | C17 | N16 | 0.0° | 0.0° |
| H22 | C22 | C21 | C20 | 180.0° | 179.8° |
| H22 | C22 | C21 | H21 | 0.1° | 0.3° |
| N2 | C1 | N6 | H1L | 180.0° | 179.7° |
| N2 | C1 | N6 | C5 | 0.0° | 0.6° |
| C1 | N2 | C3 | C4 | 0.0° | 0.0° |
| C1 | N2 | C3 | N7 | 179.8° | 179.9° |
| C1 | N6 | C5 | C4 | 0.1° | 0.6° |
| C1 | N6 | C5 | N16 | 179.5° | 179.7° |
| N6 | C1 | N2 | C3 | 0.0° | 0.3° |
| H1L | C1 | N6 | C5 | 180.0° | 179.7° |
| H1L | C1 | N2 | C3 | 180.0° | 180.0° |
| C4 | C5 | N6 | N16 | 179.6° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | N2 | 0.1° | 0.0° |
| C5 | C4 | C3 | N7 | 179.7° | 179.9° |
| C4 | C5 | N16 | C17 | 0.0° | 174.0° |
| C4 | C5 | N16 | H16 | 180.0° | 6.0° |
| N6 | C5 | C4 | C3 | 0.1° | 0.3° |
| N6 | C5 | C4 | H4 | 179.9° | 179.6° |
| N6 | C5 | N16 | C17 | 179.5° | 6.4° |
| N6 | C5 | N16 | H16 | 0.5° | 173.7° |
| N16 | C5 | C4 | C3 | 179.4° | 180.0° |
| N16 | C5 | C4 | H4 | 0.6° | 0.1° |
| C5 | N16 | C17 | C18 | 48.4° | 35.5° |
| C5 | N16 | C17 | H16 | 180.0° | 180.0° |
| C4 | C3 | N2 | N7 | 179.8° | 179.9° |
| C4 | C3 | N7 | C8 | 21.9° | 0.0° |
| C4 | C3 | N7 | H7 | 158.1° | 180.0° |
| H4 | C4 | C3 | N2 | 179.9° | 179.9° |
| H4 | C4 | C3 | N7 | 0.3° | 0.0° |
| N2 | C3 | N7 | C8 | 157.8° | 179.9° |
| N2 | C3 | N7 | H7 | 22.2° | 0.1° |
| C3 | N7 | C8 | H7 | 180.0° | 180.0° |
| C3 | N7 | C8 | C9 | 150.8° | 120.0° |
| C3 | N7 | C8 | C13 | 29.5° | 60.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| C18 | C17 | N16 | H16 | 131.6° | 144.5° |
| N16 | C17 | C18 | C19 | 179.9° | 180.0° |
| N16 | C17 | C18 | H18 | 0.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C18 | C19 | C20 | O23 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 180.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C21 | O23 | 179.9° | 179.8° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C19 | C20 | O23 | C24 | 82.3° | 180.0° |
| H19 | C19 | C20 | C21 | 179.9° | 179.8° |
| H19 | C19 | C20 | O23 | 0.2° | 0.0° |
| C21 | C20 | O23 | C24 | 97.6° | 0.2° |
| O23 | C20 | C21 | H21 | 0.3° | 0.2° |
| C20 | O23 | C24 | C25 | 176.5° | 180.0° |
| C20 | O23 | C24 | H241 | 51.2° | 59.9° |
| C20 | O23 | C24 | H242 | 58.3° | 60.0° |
| N7 | C8 | C9 | C10 | 179.9° | 180.0° |
| N7 | C8 | C9 | C13 | 179.7° | 179.7° |
| N7 | C8 | C9 | F14 | 0.1° | 0.0° |
| N7 | C8 | C13 | C12 | 180.0° | 179.7° |
| N7 | C8 | C13 | F15 | 0.3° | 0.3° |
| H7 | N7 | C8 | C9 | 29.2° | 60.0° |
| H7 | N7 | C8 | C13 | 150.5° | 119.7° |
| O23 | C24 | C25 | H241 | 125.2° | 120.1° |
| O23 | C24 | C25 | H242 | 125.3° | 120.0° |
| O23 | C24 | H241 | H242 | 117.2° | 119.9° |
| O23 | C24 | C25 | C26 | 163.1° | 180.0° |
| O23 | C24 | C25 | O30 | 63.7° | 59.9° |
| O23 | C24 | C25 | H25 | 48.2° | 60.0° |
| C25 | C24 | H241 | H242 | 117.3° | 119.9° |
| C24 | C25 | C26 | O30 | 132.9° | 120.1° |
| C24 | C25 | C26 | H25 | 114.8° | 120.0° |
| C24 | C25 | O30 | H25 | 112.0° | 119.9° |
| C24 | C25 | C26 | N27 | 168.0° | 180.0° |
| C24 | C25 | C26 | H261 | 66.8° | 60.0° |
| C24 | C25 | C26 | H262 | 42.7° | 60.0° |
| C24 | C25 | O30 | H30 | 180.0° | 60.1° |
| H241 | C24 | C25 | C26 | 37.8° | 59.9° |
| H241 | C24 | C25 | O30 | 171.0° | 180.0° |
| H241 | C24 | C25 | H25 | 77.0° | 60.1° |
| H242 | C24 | C25 | C26 | 71.7° | 60.0° |
| H242 | C24 | C25 | O30 | 61.5° | 60.1° |
| H242 | C24 | C25 | H25 | 173.5° | NaN° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C11 | C10 | C9 | F14 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.1° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C12 | C13 | C8 | 0.2° | 0.6° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | F15 | 179.9° | 180.0° |
| H11 | C11 | C10 | C9 | 179.8° | 180.0° |
| H11 | C11 | C10 | H10 | 0.2° | 0.0° |
| H11 | C11 | C12 | C13 | 179.9° | 179.7° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| C10 | C9 | C8 | F14 | 179.8° | 180.0° |
| C10 | C9 | C8 | C13 | 0.4° | 0.3° |
| H10 | C10 | C9 | C8 | 179.7° | 180.0° |
| H10 | C10 | C9 | F14 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 0.3° | 0.6° |
| C9 | C8 | C13 | F15 | 180.0° | 180.0° |
| F14 | C9 | C8 | C13 | 179.8° | 179.7° |
| C8 | C13 | C12 | F15 | 179.7° | 179.4° |
| C8 | C13 | C12 | H12 | 179.8° | 179.7° |
| H12 | C12 | C13 | F15 | 0.1° | 0.3° |
| C26 | C25 | O30 | H25 | 112.3° | 119.9° |
| C25 | C26 | N27 | H261 | 125.2° | 120.0° |
| C25 | C26 | N27 | H262 | 125.3° | 119.9° |
| C25 | C26 | H261 | H262 | 115.1° | 119.9° |
| C25 | C26 | N27 | C28 | 88.6° | 180.0° |
| C25 | C26 | N27 | C29 | 146.4° | 66.3° |
| C26 | C25 | O30 | H30 | 44.3° | 60.0° |
| O30 | C25 | C26 | N27 | 35.0° | 59.9° |
| O30 | C25 | C26 | H261 | 160.3° | 180.0° |
| O30 | C25 | C26 | H262 | 90.2° | 60.1° |
| H25 | C25 | C26 | N27 | 77.2° | 60.0° |
| H25 | C25 | C26 | H261 | 48.0° | 60.0° |
| H25 | C25 | C26 | H262 | 157.5° | 180.0° |
| H25 | C25 | O30 | H30 | 68.0° | 180.0° |
| N27 | C26 | H261 | H262 | 115.1° | 120.1° |
| C26 | N27 | C28 | C29 | 126.1° | 113.7° |
| C26 | N27 | C28 | H281 | 180.0° | 180.0° |
| C26 | N27 | C28 | H282 | 54.7° | 60.1° |
| C26 | N27 | C28 | H283 | 54.7° | 60.0° |
| C26 | N27 | C29 | H291 | 180.0° | 66.3° |
| C26 | N27 | C29 | H292 | 54.7° | 173.8° |
| C26 | N27 | C29 | H293 | 54.7° | 53.8° |
| H261 | C26 | N27 | C28 | 36.7° | 60.0° |
| H261 | C26 | N27 | C29 | 88.4° | 53.7° |
| H262 | C26 | N27 | C28 | 146.1° | 60.0° |
| H262 | C26 | N27 | C29 | 21.1° | 173.8° |
| N27 | C28 | H281 | H282 | 125.3° | 119.9° |
| N27 | C28 | H281 | H283 | 125.3° | 120.1° |
| N27 | C28 | H282 | H283 | 116.7° | 120.0° |
| C28 | N27 | C29 | H291 | 53.0° | 180.0° |
| C28 | N27 | C29 | H292 | 72.2° | 60.0° |
| C28 | N27 | C29 | H293 | 178.3° | 60.0° |
| C29 | N27 | C28 | H281 | 53.9° | 66.3° |
| C29 | N27 | C28 | H282 | 179.2° | 173.8° |
| C29 | N27 | C28 | H283 | 71.3° | 53.8° |
| N27 | C29 | H291 | H292 | 125.2° | 120.0° |
| N27 | C29 | H291 | H293 | 125.3° | 120.0° |
| N27 | C29 | H292 | H293 | 117.2° | 120.0° |
| H281 | C28 | H282 | H283 | 116.6° | 120.0° |
| H291 | C29 | H292 | H293 | 117.2° | 120.0° |
