5YQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C02 | C01 | doub | 1.40Å | 1.38Å | Aromatic |
C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C01 | H01 | sing | 1.08Å | 1.08Å | |
C07 | C02 | sing | 1.48Å | 1.51Å | |
C03 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
C03 | H03 | sing | 1.08Å | 1.08Å | |
C04 | N05 | sing | 1.32Å | 1.34Å | Aromatic |
C04 | H04 | sing | 1.08Å | 1.08Å | |
N05 | C06 | doub | 1.33Å | 1.34Å | Aromatic |
C06 | C10 | sing | 1.48Å | 1.42Å | |
O09 | C07 | doub | 1.21Å | 1.25Å | |
C07 | O08 | sing | 1.35Å | 1.25Å | |
O08 | HO08 | sing | 0.97Å | 0.95Å | |
C10 | N11 | doub | 1.33Å | 1.34Å | Aromatic |
C10 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
N11 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
C12 | N16 | sing | 1.38Å | 1.34Å | |
C12 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
C14 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
N16 | C17 | sing | 1.46Å | 1.46Å | |
N16 | HN16 | sing | 0.97Å | 1.00Å | |
C18 | C17 | sing | 1.51Å | 1.50Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C18 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
N20 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.08Å | |
N20 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C01 | C06 | 119.3° | 118.9° |
C02 | C01 | H01 | 120.3° | 120.5° |
C01 | C02 | C07 | 120.3° | 120.9° |
C01 | C02 | C03 | 118.7° | 118.2° |
C06 | C01 | H01 | 120.4° | 120.6° |
C01 | C06 | N05 | 122.2° | 120.7° |
C01 | C06 | C10 | 121.1° | 119.6° |
C07 | C02 | C03 | 121.0° | 120.9° |
C02 | C07 | O09 | 117.6° | 120.0° |
C02 | C07 | O08 | 117.7° | 120.0° |
C02 | C03 | C04 | 118.2° | 119.1° |
C02 | C03 | H03 | 120.9° | 120.4° |
C04 | C03 | H03 | 120.9° | 120.4° |
C03 | C04 | N05 | 123.7° | 121.1° |
C03 | C04 | H04 | 118.2° | 119.4° |
N05 | C04 | H04 | 118.1° | 119.5° |
C04 | N05 | C06 | 117.8° | 122.0° |
N05 | C06 | C10 | 116.6° | 119.7° |
C06 | C10 | N11 | 117.7° | 120.5° |
C06 | C10 | C15 | 121.7° | 120.5° |
O09 | C07 | O08 | 124.7° | 120.0° |
C07 | O08 | HO08 | 109.5° | 117.0° |
N11 | C10 | C15 | 120.6° | 119.0° |
C10 | N11 | C12 | 117.4° | 120.7° |
C10 | C15 | C14 | 118.3° | 118.4° |
C10 | C15 | H15 | 120.9° | 120.8° |
N11 | C12 | N16 | 117.3° | 119.2° |
N11 | C12 | N13 | 125.4° | 121.7° |
N16 | C12 | N13 | 117.3° | 119.1° |
C12 | N16 | C17 | 123.7° | 120.0° |
C12 | N16 | HN16 | 105.8° | 119.9° |
C12 | N13 | C14 | 115.8° | 120.9° |
N13 | C14 | C15 | 122.6° | 119.3° |
N13 | C14 | H14 | 118.7° | 120.3° |
C15 | C14 | H14 | 118.7° | 120.4° |
C14 | C15 | H15 | 120.8° | 120.8° |
C17 | N16 | HN16 | 105.8° | 120.0° |
N16 | C17 | C18 | 113.3° | 109.5° |
N16 | C17 | H17 | 108.5° | 109.5° |
N16 | C17 | H17A | 108.5° | 109.5° |
C18 | C17 | H17 | 108.5° | 109.5° |
C18 | C17 | H17A | 108.5° | 109.5° |
C17 | C18 | C19 | 121.1° | 120.4° |
C17 | C18 | C23 | 121.9° | 120.4° |
H17 | C17 | H17A | 109.4° | 109.4° |
C19 | C18 | C23 | 117.0° | 119.1° |
C18 | C19 | N20 | 124.2° | 120.7° |
C18 | C19 | H19 | 117.9° | 119.6° |
C18 | C23 | C22 | 120.1° | 118.4° |
C18 | C23 | H23 | 119.9° | 120.7° |
N20 | C19 | H19 | 117.9° | 119.7° |
C19 | N20 | C21 | 117.2° | 121.7° |
N20 | C21 | C22 | 123.0° | 120.8° |
N20 | C21 | H21 | 118.5° | 119.6° |
C22 | C21 | H21 | 118.5° | 119.6° |
C21 | C22 | C23 | 118.5° | 119.1° |
C21 | C22 | H22 | 120.7° | 120.4° |
C23 | C22 | H22 | 120.8° | 120.5° |
C22 | C23 | H23 | 119.9° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | C06 | H01 | 180.0° | 179.7° |
C01 | C02 | C07 | C03 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.0° | 0.0° |
C01 | C02 | C03 | H03 | 179.9° | 180.0° |
C02 | C01 | C06 | N05 | 0.0° | 0.0° |
C02 | C01 | C06 | C10 | 180.0° | 179.7° |
C01 | C02 | C07 | O09 | 147.1° | 0.0° |
C01 | C02 | C07 | O08 | 32.8° | 180.0° |
C06 | C01 | C02 | C07 | 180.0° | 180.0° |
C06 | C01 | C02 | C03 | 0.0° | 0.0° |
C01 | C06 | N05 | C04 | 0.1° | 0.0° |
C01 | C06 | N05 | C10 | 180.0° | 179.7° |
C01 | C06 | C10 | N11 | 150.4° | 0.0° |
C01 | C06 | C10 | C15 | 29.5° | 179.8° |
H01 | C01 | C02 | C07 | 0.0° | 0.3° |
H01 | C01 | C02 | C03 | 179.9° | 179.7° |
H01 | C01 | C06 | N05 | 180.0° | 179.7° |
H01 | C01 | C06 | C10 | 0.0° | 0.0° |
C07 | C02 | C03 | C04 | 180.0° | 180.0° |
C07 | C02 | C03 | H03 | 0.0° | 0.0° |
C02 | C07 | O09 | O08 | 180.0° | 180.0° |
C02 | C07 | O08 | HO08 | 180.0° | 179.9° |
C02 | C03 | C04 | H03 | 180.0° | 180.0° |
C02 | C03 | C04 | N05 | 0.0° | 0.0° |
C02 | C03 | C04 | H04 | 180.0° | 180.0° |
C03 | C02 | C07 | O09 | 32.9° | 180.0° |
C03 | C02 | C07 | O08 | 147.1° | 0.0° |
C03 | C04 | N05 | H04 | 180.0° | 180.0° |
C03 | C04 | N05 | C06 | 0.1° | 0.0° |
H03 | C03 | C04 | N05 | 180.0° | 180.0° |
H03 | C03 | C04 | H04 | 0.0° | 0.0° |
C04 | N05 | C06 | C10 | 179.9° | 179.7° |
H04 | C04 | N05 | C06 | 179.9° | 180.0° |
N05 | C06 | C10 | N11 | 29.6° | 179.7° |
N05 | C06 | C10 | C15 | 150.5° | 0.5° |
C06 | C10 | N11 | C15 | 179.9° | 179.8° |
C06 | C10 | N11 | C12 | 180.0° | 180.0° |
C06 | C10 | C15 | C14 | 180.0° | 179.8° |
C06 | C10 | C15 | H15 | 0.0° | 0.1° |
O09 | C07 | O08 | HO08 | 0.0° | 0.1° |
C10 | N11 | C12 | N16 | 180.0° | 180.0° |
C10 | N11 | C12 | N13 | 0.0° | 0.0° |
N11 | C10 | C15 | C14 | 0.0° | 0.5° |
N11 | C10 | C15 | H15 | 179.9° | 179.7° |
C15 | C10 | N11 | C12 | 0.1° | 0.2° |
C10 | C15 | C14 | N13 | 0.0° | 0.5° |
C10 | C15 | C14 | H15 | 180.0° | 179.8° |
C10 | C15 | C14 | H14 | 180.0° | 179.8° |
N11 | C12 | N16 | N13 | 180.0° | 180.0° |
N11 | C12 | N13 | C14 | 0.0° | 0.0° |
N11 | C12 | N16 | C17 | 167.9° | 180.0° |
N11 | C12 | N16 | HN16 | 46.0° | 0.0° |
N16 | C12 | N13 | C14 | 180.0° | 180.0° |
C12 | N16 | C17 | HN16 | 121.9° | 179.9° |
C12 | N16 | C17 | C18 | 58.2° | 180.0° |
C12 | N16 | C17 | H17 | 178.8° | 59.9° |
C12 | N16 | C17 | H17A | 62.3° | 60.0° |
C12 | N13 | C14 | C15 | 0.0° | 0.2° |
C12 | N13 | C14 | H14 | 180.0° | 180.0° |
N13 | C12 | N16 | C17 | 12.0° | 0.1° |
N13 | C12 | N16 | HN16 | 134.0° | 180.0° |
N13 | C14 | C15 | H14 | 180.0° | 179.7° |
N13 | C14 | C15 | H15 | 180.0° | 179.7° |
H14 | C14 | C15 | H15 | 0.0° | 0.1° |
N16 | C17 | C18 | H17 | 120.6° | 120.1° |
N16 | C17 | C18 | H17A | 120.6° | 120.0° |
N16 | C17 | H17 | H17A | 118.2° | 120.0° |
N16 | C17 | C18 | C19 | 20.0° | 89.7° |
N16 | C17 | C18 | C23 | 160.1° | 90.0° |
HN16 | N16 | C17 | C18 | 63.7° | 0.0° |
HN16 | N16 | C17 | H17 | 56.9° | 120.0° |
HN16 | N16 | C17 | H17A | 175.7° | 120.1° |
C18 | C17 | H17 | H17A | 118.2° | 119.9° |
C17 | C18 | C19 | C23 | 179.9° | 179.6° |
C17 | C18 | C19 | N20 | 180.0° | 179.9° |
C17 | C18 | C19 | H19 | 0.0° | 0.1° |
C17 | C18 | C23 | C22 | 180.0° | 179.8° |
C17 | C18 | C23 | H23 | 0.0° | 0.1° |
H17 | C17 | C18 | C19 | 100.6° | 150.3° |
H17 | C17 | C18 | C23 | 79.3° | 30.1° |
H17A | C17 | C18 | C19 | 140.6° | 30.4° |
H17A | C17 | C18 | C23 | 39.5° | 150.0° |
C18 | C19 | N20 | H19 | 180.0° | 180.0° |
C18 | C19 | N20 | C21 | 0.0° | 0.0° |
C19 | C18 | C23 | C22 | 0.1° | 0.6° |
C19 | C18 | C23 | H23 | 180.0° | 179.7° |
C23 | C18 | C19 | N20 | 0.1° | 0.3° |
C23 | C18 | C19 | H19 | 179.9° | 179.8° |
C18 | C23 | C22 | C21 | 0.0° | 0.6° |
C18 | C23 | C22 | H23 | 180.0° | 179.7° |
C18 | C23 | C22 | H22 | 180.0° | 179.7° |
C19 | N20 | C21 | C22 | 0.0° | 0.0° |
C19 | N20 | C21 | H21 | 180.0° | 180.0° |
H19 | C19 | N20 | C21 | 180.0° | 180.0° |
N20 | C21 | C22 | H21 | 180.0° | 180.0° |
N20 | C21 | C22 | C23 | 0.0° | 0.3° |
N20 | C21 | C22 | H22 | 180.0° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 179.7° |
C21 | C22 | C23 | H23 | 180.0° | 179.7° |
H21 | C21 | C22 | C23 | 179.9° | 179.7° |
H21 | C21 | C22 | H22 | 0.1° | 0.0° |
H22 | C22 | C23 | H23 | 0.0° | 0.0° |