FPH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | N07 | sing | 1.42Å | 1.29Å | |
O12 | H12 | sing | 0.97Å | 0.95Å | |
N07 | C01 | sing | 1.38Å | 1.37Å | Aromatic |
N07 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
C01 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
C01 | C02 | sing | 1.41Å | 1.41Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
C06 | H06 | sing | 1.08Å | 1.10Å | |
C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
C05 | H05 | sing | 1.08Å | 1.10Å | |
C04 | N03 | sing | 1.32Å | 1.36Å | Aromatic |
C04 | H04 | sing | 1.08Å | 1.10Å | |
N03 | C02 | doub | 1.33Å | 1.38Å | Aromatic |
C02 | C08 | sing | 1.47Å | 1.45Å | Aromatic |
C08 | C24 | sing | 1.48Å | 1.47Å | Aromatic |
C08 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
C24 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
C24 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.10Å | |
C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.10Å | |
C27 | F32 | sing | 1.35Å | 1.35Å | |
C27 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
C28 | H28 | sing | 1.08Å | 1.10Å | |
C29 | H29 | sing | 1.08Å | 1.10Å | |
C13 | C14 | sing | 1.48Å | 1.50Å | Aromatic |
C14 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.10Å | |
C18 | N17 | doub | 1.32Å | 1.37Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.10Å | |
N17 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | H16 | sing | 1.08Å | 1.10Å | |
C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N07 | O12 | H12 | 122.1° | 106.9° |
O12 | N07 | C01 | 122.1° | 125.0° |
O12 | N07 | C13 | 124.3° | 124.9° |
C01 | N07 | C13 | 113.6° | 110.1° |
N07 | C01 | C06 | 133.0° | 133.1° |
N07 | C01 | C02 | 105.8° | 108.0° |
N07 | C13 | C08 | 104.8° | 109.2° |
N07 | C13 | C14 | 121.0° | 125.4° |
C06 | C01 | C02 | 121.2° | 118.9° |
C01 | C06 | C05 | 116.5° | 118.3° |
C01 | C06 | H06 | 122.4° | 120.9° |
C01 | C02 | N03 | 121.9° | 120.5° |
C01 | C02 | C08 | 108.7° | 106.1° |
C05 | C06 | H06 | 121.1° | 120.8° |
C06 | C05 | C04 | 119.2° | 119.7° |
C06 | C05 | H05 | 120.5° | 120.2° |
C04 | C05 | H05 | 120.2° | 120.1° |
C05 | C04 | N03 | 125.2° | 121.2° |
C05 | C04 | H04 | 118.8° | 119.4° |
N03 | C04 | H04 | 116.0° | 119.4° |
C04 | N03 | C02 | 116.0° | 121.5° |
N03 | C02 | C08 | 129.5° | 133.4° |
C02 | C08 | C24 | 126.1° | 126.7° |
C02 | C08 | C13 | 107.2° | 106.6° |
C24 | C08 | C13 | 126.7° | 126.7° |
C08 | C24 | C25 | 119.1° | 120.2° |
C08 | C24 | C29 | 122.3° | 120.1° |
C08 | C13 | C14 | 134.2° | 125.5° |
C25 | C24 | C29 | 118.6° | 119.7° |
C24 | C25 | C26 | 121.3° | 119.9° |
C24 | C25 | H25 | 119.7° | 120.0° |
C24 | C29 | C28 | 120.4° | 119.9° |
C24 | C29 | H29 | 120.2° | 120.0° |
C26 | C25 | H25 | 119.0° | 120.1° |
C25 | C26 | C27 | 118.7° | 120.1° |
C25 | C26 | H26 | 121.1° | 119.9° |
C27 | C26 | H26 | 120.2° | 119.9° |
C26 | C27 | F32 | 119.1° | 119.9° |
C26 | C27 | C28 | 121.2° | 120.2° |
F32 | C27 | C28 | 119.6° | 119.9° |
C27 | C28 | C29 | 119.8° | 120.1° |
C27 | C28 | H28 | 120.3° | 119.9° |
C29 | C28 | H28 | 119.9° | 119.9° |
C28 | C29 | H29 | 119.4° | 120.1° |
C13 | C14 | C19 | 120.8° | 121.0° |
C13 | C14 | C15 | 121.9° | 120.9° |
C19 | C14 | C15 | 117.3° | 118.1° |
C14 | C19 | C18 | 119.4° | 119.0° |
C14 | C19 | H19 | 121.0° | 120.5° |
C14 | C15 | C16 | 119.6° | 119.0° |
C14 | C15 | H15 | 120.7° | 120.5° |
C18 | C19 | H19 | 119.6° | 120.5° |
C19 | C18 | N17 | 123.0° | 120.9° |
C19 | C18 | H18 | 119.6° | 119.6° |
N17 | C18 | H18 | 117.4° | 119.5° |
C18 | N17 | C16 | 117.3° | 122.1° |
N17 | C16 | C15 | 123.5° | 120.9° |
N17 | C16 | H16 | 116.6° | 119.5° |
C15 | C16 | H16 | 120.0° | 119.6° |
C16 | C15 | H15 | 119.7° | 120.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | N07 | C01 | C13 | 178.7° | 179.7° |
O12 | N07 | C01 | C06 | 1.4° | 0.1° |
O12 | N07 | C01 | C02 | 178.5° | 180.0° |
O12 | N07 | C13 | C08 | 178.5° | 179.8° |
O12 | N07 | C13 | C14 | 0.3° | 0.2° |
H12 | O12 | N07 | C01 | 180.0° | 90.1° |
H12 | O12 | N07 | C13 | 1.4° | 90.2° |
N07 | C01 | C06 | C02 | 179.8° | 179.9° |
N07 | C01 | C06 | C05 | 179.0° | 179.9° |
N07 | C01 | C06 | H06 | 1.0° | 0.0° |
N07 | C01 | C02 | N03 | 180.0° | 180.0° |
N07 | C01 | C02 | C08 | 0.3° | 0.1° |
C01 | N07 | C13 | C08 | 0.2° | 0.4° |
C01 | N07 | C13 | C14 | 178.5° | 180.0° |
C13 | N07 | C01 | C06 | 179.9° | 179.8° |
C13 | N07 | C01 | C02 | 0.3° | 0.3° |
N07 | C13 | C08 | C02 | 0.0° | 0.4° |
N07 | C13 | C08 | C24 | 178.9° | 179.8° |
N07 | C13 | C08 | C14 | 177.9° | 179.6° |
N07 | C13 | C14 | C19 | 36.0° | 53.2° |
N07 | C13 | C14 | C15 | 141.3° | 126.5° |
C01 | C06 | C05 | H06 | 180.0° | 180.0° |
C01 | C06 | C05 | C04 | 1.0° | 0.0° |
C01 | C06 | C05 | H05 | 179.0° | 180.0° |
C06 | C01 | C02 | N03 | 0.1° | 0.1° |
C06 | C01 | C02 | C08 | 179.8° | 180.0° |
C02 | C01 | C06 | C05 | 1.1° | 0.0° |
C02 | C01 | C06 | H06 | 178.9° | 179.9° |
C01 | C02 | N03 | C04 | 0.9° | 0.1° |
C01 | C02 | N03 | C08 | 179.6° | 179.9° |
C01 | C02 | C08 | C24 | 178.7° | 180.0° |
C01 | C02 | C08 | C13 | 0.2° | 0.2° |
C06 | C05 | C04 | H05 | 180.0° | 180.0° |
C06 | C05 | C04 | N03 | 0.1° | 0.1° |
C06 | C05 | C04 | H04 | 179.9° | 179.9° |
H06 | C06 | C05 | C04 | 179.0° | 180.0° |
H06 | C06 | C05 | H05 | 1.0° | 0.0° |
C05 | C04 | N03 | H04 | 180.0° | 180.0° |
C05 | C04 | N03 | C02 | 1.1° | 0.0° |
H05 | C05 | C04 | N03 | 179.9° | 180.0° |
H05 | C05 | C04 | H04 | 0.1° | 0.0° |
C04 | N03 | C02 | C08 | 178.7° | 180.0° |
H04 | C04 | N03 | C02 | 178.9° | 180.0° |
N03 | C02 | C08 | C24 | 1.0° | 0.1° |
N03 | C02 | C08 | C13 | 179.9° | 179.7° |
C02 | C08 | C24 | C13 | 178.7° | 179.8° |
C02 | C08 | C24 | C25 | 124.0° | 66.3° |
C02 | C08 | C24 | C29 | 55.1° | 113.5° |
C02 | C08 | C13 | C14 | 177.9° | 180.0° |
C08 | C24 | C25 | C29 | 179.1° | 179.7° |
C08 | C24 | C25 | C26 | 179.8° | 180.0° |
C08 | C24 | C25 | H25 | 0.2° | 0.0° |
C08 | C24 | C29 | C28 | 179.5° | 179.8° |
C08 | C24 | C29 | H29 | 0.5° | 0.3° |
C24 | C08 | C13 | C14 | 3.2° | 0.2° |
C13 | C08 | C24 | C25 | 54.7° | 114.0° |
C13 | C08 | C24 | C29 | 126.3° | 66.3° |
C08 | C13 | C14 | C19 | 146.3° | 127.2° |
C08 | C13 | C14 | C15 | 36.4° | 53.0° |
C24 | C25 | C26 | H25 | 180.0° | 179.9° |
C24 | C25 | C26 | C27 | 1.6° | 0.1° |
C24 | C25 | C26 | H26 | 178.4° | 180.0° |
C25 | C24 | C29 | C28 | 0.5° | 0.5° |
C25 | C24 | C29 | H29 | 179.5° | 180.0° |
C29 | C24 | C25 | C26 | 1.2° | 0.2° |
C29 | C24 | C25 | H25 | 178.8° | 179.7° |
C24 | C29 | C28 | C27 | 0.3° | 0.5° |
C24 | C29 | C28 | H29 | 180.0° | 179.5° |
C24 | C29 | C28 | H28 | 179.7° | 179.7° |
C25 | C26 | C27 | H26 | 180.0° | 179.9° |
C25 | C26 | C27 | F32 | 179.8° | 179.9° |
C25 | C26 | C27 | C28 | 1.4° | 0.1° |
H25 | C25 | C26 | C27 | 178.4° | 180.0° |
H25 | C25 | C26 | H26 | 1.6° | 0.1° |
C26 | C27 | F32 | C28 | 178.4° | 180.0° |
C26 | C27 | C28 | C29 | 0.7° | 0.2° |
C26 | C27 | C28 | H28 | 179.3° | 180.0° |
H26 | C26 | C27 | F32 | 0.2° | 0.0° |
H26 | C26 | C27 | C28 | 178.6° | 180.0° |
F32 | C27 | C28 | C29 | 179.1° | 179.8° |
F32 | C27 | C28 | H28 | 0.9° | 0.0° |
C27 | C28 | C29 | H28 | 180.0° | 179.8° |
C27 | C28 | C29 | H29 | 179.7° | 180.0° |
H28 | C28 | C29 | H29 | 0.3° | 0.2° |
C13 | C14 | C19 | C15 | 177.4° | 179.8° |
C13 | C14 | C19 | C18 | 177.7° | 179.9° |
C13 | C14 | C19 | H19 | 2.4° | 0.1° |
C13 | C14 | C15 | C16 | 178.1° | 179.7° |
C13 | C14 | C15 | H15 | 1.9° | 0.2° |
C14 | C19 | C18 | H19 | 180.0° | 179.9° |
C14 | C19 | C18 | N17 | 0.3° | 0.0° |
C14 | C19 | C18 | H18 | 179.7° | 179.9° |
C19 | C14 | C15 | C16 | 0.7° | 0.6° |
C19 | C14 | C15 | H15 | 179.3° | 180.0° |
C15 | C14 | C19 | C18 | 0.3° | 0.3° |
C15 | C14 | C19 | H19 | 179.7° | 179.8° |
C14 | C15 | C16 | N17 | 0.6° | 0.5° |
C14 | C15 | C16 | H15 | 180.0° | 179.5° |
C14 | C15 | C16 | H16 | 179.4° | 179.7° |
C19 | C18 | N17 | H18 | 180.0° | 179.9° |
C19 | C18 | N17 | C16 | 0.5° | 0.1° |
H19 | C19 | C18 | N17 | 179.7° | 179.8° |
H19 | C19 | C18 | H18 | 0.3° | 0.0° |
C18 | N17 | C16 | C15 | 0.0° | 0.2° |
C18 | N17 | C16 | H16 | 180.0° | 180.0° |
H18 | C18 | N17 | C16 | 179.5° | 180.0° |
N17 | C16 | C15 | H16 | 180.0° | 179.8° |
N17 | C16 | C15 | H15 | 179.4° | 180.0° |
H16 | C16 | C15 | H15 | 0.6° | 0.2° |