7CK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O27 | HO27 | sing | 0.97Å | 0.95Å | |
O27 | C25 | sing | 1.35Å | 1.28Å | |
O26 | C25 | doub | 1.22Å | 1.28Å | |
C25 | C7 | sing | 1.40Å | 1.27Å | |
C7 | N6 | sing | 1.39Å | 1.29Å | Aromatic |
C7 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
N6 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
C22 | C21 | sing | 1.46Å | 1.48Å | Aromatic |
C22 | C23 | sing | 1.42Å | 1.47Å | Aromatic |
C21 | C20 | sing | 1.47Å | 1.47Å | Aromatic |
C21 | C18 | doub | 1.39Å | 1.44Å | Aromatic |
C18 | C17 | sing | 1.41Å | 1.45Å | Aromatic |
C18 | N12 | sing | 1.38Å | 1.38Å | Aromatic |
N12 | HN12 | sing | 0.97Å | 1.00Å | |
N12 | C19 | sing | 1.38Å | 1.35Å | Aromatic |
C19 | C20 | doub | 1.40Å | 1.45Å | Aromatic |
C19 | C11 | sing | 1.39Å | 1.47Å | Aromatic |
C20 | C8 | sing | 1.39Å | 1.48Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C8 | C9 | doub | 1.38Å | 1.45Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C9 | C10 | sing | 1.39Å | 1.47Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C10 | C11 | doub | 1.38Å | 1.45Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
O24 | C5 | sing | 1.35Å | 1.23Å | |
O24 | HO24 | sing | 0.97Å | 0.95Å | |
C5 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
C23 | C16 | sing | 1.46Å | 1.43Å | Aromatic |
C16 | C17 | doub | 1.39Å | 1.44Å | Aromatic |
C16 | C15 | sing | 1.47Å | 1.40Å | Aromatic |
C17 | N13 | sing | 1.39Å | 1.36Å | Aromatic |
N13 | HN13 | sing | 0.97Å | 1.00Å | |
N13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | C1 | sing | 1.39Å | 1.44Å | Aromatic |
C14 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
C15 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
C4 | C3 | doub | 1.38Å | 1.45Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C3 | C2 | sing | 1.39Å | 1.48Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C2 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
HO27 | O27 | C25 | 109.5° | 113.9° |
O27 | C25 | O26 | 123.8° | 120.0° |
O27 | C25 | C7 | 118.7° | 120.0° |
O26 | C25 | C7 | 117.5° | 120.0° |
C25 | C7 | N6 | 125.2° | 126.2° |
C25 | C7 | C22 | 124.8° | 126.2° |
N6 | C7 | C22 | 110.0° | 107.6° |
C7 | N6 | C5 | 114.2° | 109.5° |
C7 | N6 | HN6 | 122.9° | 125.2° |
C7 | C22 | C21 | 134.4° | 134.4° |
C7 | C22 | C23 | 104.3° | 106.7° |
C5 | N6 | HN6 | 122.9° | 125.3° |
N6 | C5 | O24 | 124.7° | 125.5° |
N6 | C5 | C23 | 105.2° | 109.0° |
C21 | C22 | C23 | 121.4° | 119.0° |
C22 | C21 | C20 | 137.7° | 132.8° |
C22 | C21 | C18 | 117.0° | 120.4° |
C22 | C23 | C5 | 106.4° | 107.2° |
C22 | C23 | C16 | 119.9° | 118.8° |
C20 | C21 | C18 | 105.3° | 106.7° |
C21 | C20 | C19 | 106.7° | 106.4° |
C21 | C20 | C8 | 136.3° | 133.6° |
C21 | C18 | C17 | 121.2° | 120.7° |
C21 | C18 | N12 | 108.3° | 108.5° |
C17 | C18 | N12 | 130.5° | 130.8° |
C18 | C17 | C16 | 121.3° | 120.8° |
C18 | C17 | N13 | 130.1° | 130.8° |
C18 | N12 | HN12 | 124.0° | 124.8° |
C18 | N12 | C19 | 111.9° | 110.3° |
HN12 | N12 | C19 | 124.0° | 124.8° |
N12 | C19 | C20 | 107.7° | 108.1° |
N12 | C19 | C11 | 130.9° | 132.6° |
C20 | C19 | C11 | 121.4° | 119.3° |
C19 | C20 | C8 | 117.0° | 120.1° |
C19 | C11 | C10 | 120.9° | 120.0° |
C19 | C11 | H11 | 119.5° | 119.9° |
C20 | C8 | H8 | 118.8° | 120.1° |
C20 | C8 | C9 | 122.3° | 119.7° |
H8 | C8 | C9 | 118.9° | 120.1° |
C8 | C9 | H9 | 120.4° | 119.9° |
C8 | C9 | C10 | 119.3° | 120.2° |
H9 | C9 | C10 | 120.4° | 119.8° |
C9 | C10 | H10 | 120.5° | 119.7° |
C9 | C10 | C11 | 119.1° | 120.7° |
H10 | C10 | C11 | 120.4° | 119.7° |
C10 | C11 | H11 | 119.5° | 120.0° |
C5 | O24 | HO24 | 109.5° | 114.0° |
O24 | C5 | C23 | 130.1° | 125.5° |
C5 | C23 | C16 | 133.8° | 134.0° |
C23 | C16 | C17 | 119.3° | 120.3° |
C23 | C16 | C15 | 133.4° | 132.8° |
C17 | C16 | C15 | 107.3° | 106.9° |
C16 | C17 | N13 | 108.6° | 108.4° |
C16 | C15 | C14 | 106.6° | 106.4° |
C16 | C15 | C4 | 134.1° | 133.5° |
C17 | N13 | HN13 | 125.1° | 124.9° |
C17 | N13 | C14 | 109.7° | 110.2° |
HN13 | N13 | C14 | 125.1° | 124.9° |
N13 | C14 | C1 | 131.4° | 132.6° |
N13 | C14 | C15 | 107.8° | 108.1° |
C1 | C14 | C15 | 120.8° | 119.3° |
C14 | C1 | C2 | 119.8° | 120.0° |
C14 | C1 | H1 | 120.1° | 120.0° |
C14 | C15 | C4 | 119.3° | 120.1° |
C15 | C4 | C3 | 119.7° | 119.7° |
C15 | C4 | H4 | 120.2° | 120.2° |
C3 | C4 | H4 | 120.2° | 120.1° |
C4 | C3 | C2 | 119.1° | 120.2° |
C4 | C3 | H3 | 120.5° | 119.9° |
C2 | C3 | H3 | 120.4° | 119.9° |
C3 | C2 | C1 | 121.3° | 120.7° |
C3 | C2 | H2 | 119.3° | 119.6° |
C1 | C2 | H2 | 119.3° | 119.6° |
C2 | C1 | H1 | 120.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
HO27 | O27 | C25 | O26 | 0.0° | 0.0° |
HO27 | O27 | C25 | C7 | 177.9° | 180.0° |
O27 | C25 | O26 | C7 | 177.9° | 180.0° |
O27 | C25 | C7 | N6 | 80.4° | 102.8° |
O27 | C25 | C7 | C22 | 99.3° | 77.6° |
O26 | C25 | C7 | N6 | 101.6° | 77.2° |
O26 | C25 | C7 | C22 | 78.7° | 102.4° |
C25 | C7 | N6 | C22 | 179.7° | 179.7° |
C25 | C7 | N6 | C5 | 179.7° | 180.0° |
C25 | C7 | N6 | HN6 | 0.3° | 0.0° |
C25 | C7 | C22 | C21 | 0.7° | 0.1° |
C25 | C7 | C22 | C23 | 179.5° | 180.0° |
C7 | N6 | C5 | HN6 | 180.0° | 179.9° |
N6 | C7 | C22 | C21 | 179.6° | 179.8° |
N6 | C7 | C22 | C23 | 0.2° | 0.3° |
C7 | N6 | C5 | O24 | 179.9° | 180.0° |
C7 | N6 | C5 | C23 | 0.2° | 0.2° |
C22 | C7 | N6 | C5 | 0.0° | 0.3° |
C22 | C7 | N6 | HN6 | 180.0° | 179.8° |
C7 | C22 | C21 | C23 | 179.8° | 179.9° |
C7 | C22 | C21 | C20 | 1.1° | 0.1° |
C7 | C22 | C21 | C18 | 179.3° | 179.9° |
C7 | C22 | C23 | C5 | 0.4° | 0.2° |
C7 | C22 | C23 | C16 | 179.8° | 179.9° |
N6 | C5 | C23 | C22 | 0.4° | 0.0° |
N6 | C5 | O24 | C23 | 179.9° | 179.7° |
N6 | C5 | O24 | HO24 | 49.4° | 89.9° |
N6 | C5 | C23 | C16 | 179.9° | 179.8° |
HN6 | N6 | C5 | O24 | 0.1° | 0.1° |
HN6 | N6 | C5 | C23 | 179.8° | 179.9° |
C22 | C21 | C20 | C18 | 179.6° | 180.0° |
C22 | C21 | C18 | C17 | 0.6° | 0.0° |
C22 | C21 | C18 | N12 | 179.8° | 180.0° |
C22 | C21 | C20 | C19 | 179.9° | 180.0° |
C22 | C21 | C20 | C8 | 0.4° | 0.0° |
C21 | C22 | C23 | C5 | 179.5° | 179.9° |
C21 | C22 | C23 | C16 | 0.3° | 0.0° |
C23 | C22 | C21 | C20 | 178.6° | 180.0° |
C23 | C22 | C21 | C18 | 0.9° | 0.0° |
C22 | C23 | C5 | O24 | 179.8° | 179.8° |
C22 | C23 | C5 | C16 | 179.8° | 179.9° |
C22 | C23 | C16 | C17 | 0.5° | 0.0° |
C22 | C23 | C16 | C15 | 179.2° | 180.0° |
C20 | C21 | C18 | C17 | 179.0° | 180.0° |
C20 | C21 | C18 | N12 | 0.5° | 0.0° |
C21 | C20 | C19 | N12 | 0.1° | 0.0° |
C21 | C20 | C19 | C8 | 179.6° | 179.9° |
C21 | C20 | C19 | C11 | 179.8° | 179.9° |
C21 | C20 | C8 | H8 | 0.5° | 0.1° |
C21 | C20 | C8 | C9 | 179.5° | 180.0° |
C21 | C18 | C17 | N12 | 179.4° | 180.0° |
C21 | C18 | N12 | HN12 | 179.5° | 180.0° |
C21 | C18 | N12 | C19 | 0.5° | 0.0° |
C18 | C21 | C20 | C19 | 0.4° | 0.0° |
C18 | C21 | C20 | C8 | 179.2° | 180.0° |
C21 | C18 | C17 | C16 | 0.2° | 0.0° |
C21 | C18 | C17 | N13 | 179.4° | 180.0° |
C17 | C18 | N12 | HN12 | 1.0° | 0.0° |
C17 | C18 | N12 | C19 | 179.0° | 180.0° |
C18 | C17 | C16 | C23 | 0.7° | 0.0° |
C18 | C17 | C16 | N13 | 179.4° | 180.0° |
C18 | C17 | C16 | C15 | 179.1° | 180.0° |
C18 | C17 | N13 | HN13 | 1.0° | 0.1° |
C18 | C17 | N13 | C14 | 178.9° | 180.0° |
C18 | N12 | HN12 | C19 | 180.0° | 180.0° |
C18 | N12 | C19 | C20 | 0.3° | 0.0° |
C18 | N12 | C19 | C11 | 179.5° | 179.9° |
N12 | C18 | C17 | C16 | 179.3° | 180.0° |
N12 | C18 | C17 | N13 | 0.0° | 0.1° |
HN12 | N12 | C19 | C20 | 179.7° | 180.0° |
HN12 | N12 | C19 | C11 | 0.6° | 0.0° |
N12 | C19 | C20 | C11 | 179.7° | 180.0° |
N12 | C19 | C20 | C8 | 179.6° | 180.0° |
N12 | C19 | C11 | C10 | 179.5° | 179.9° |
N12 | C19 | C11 | H11 | 0.5° | 0.1° |
C19 | C20 | C8 | H8 | 180.0° | 180.0° |
C19 | C20 | C8 | C9 | 0.0° | 0.0° |
C20 | C19 | C11 | C10 | 0.2° | 0.1° |
C20 | C19 | C11 | H11 | 179.9° | 179.9° |
C11 | C19 | C20 | C8 | 0.2° | 0.0° |
C19 | C11 | C10 | C9 | 0.0° | 0.1° |
C19 | C11 | C10 | H10 | 180.0° | 179.9° |
C19 | C11 | C10 | H11 | 180.0° | 179.8° |
C20 | C8 | H8 | C9 | 180.0° | 180.0° |
C20 | C8 | C9 | H9 | 179.8° | 179.9° |
C20 | C8 | C9 | C10 | 0.2° | 0.0° |
H8 | C8 | C9 | H9 | 0.2° | 0.0° |
H8 | C8 | C9 | C10 | 179.8° | 180.0° |
C8 | C9 | H9 | C10 | 180.0° | 179.9° |
C8 | C9 | C10 | H10 | 179.8° | 180.0° |
C8 | C9 | C10 | C11 | 0.2° | 0.1° |
H9 | C9 | C10 | H10 | 0.2° | 0.0° |
H9 | C9 | C10 | C11 | 179.8° | 180.0° |
C9 | C10 | H10 | C11 | 180.0° | 179.9° |
C9 | C10 | C11 | H11 | 179.9° | 180.0° |
H10 | C10 | C11 | H11 | 0.1° | 0.1° |
O24 | C5 | C23 | C16 | 0.0° | 0.1° |
HO24 | O24 | C5 | C23 | 130.8° | 89.8° |
C5 | C23 | C16 | C17 | 179.8° | 179.8° |
C5 | C23 | C16 | C15 | 0.5° | 0.1° |
C23 | C16 | C17 | C15 | 179.8° | 180.0° |
C23 | C16 | C17 | N13 | 179.9° | 180.0° |
C23 | C16 | C15 | C14 | 179.9° | 179.9° |
C23 | C16 | C15 | C4 | 0.2° | 0.0° |
C16 | C17 | N13 | HN13 | 179.6° | 179.9° |
C16 | C17 | N13 | C14 | 0.4° | 0.0° |
C17 | C16 | C15 | C14 | 0.2° | 0.1° |
C17 | C16 | C15 | C4 | 179.5° | 180.0° |
C15 | C16 | C17 | N13 | 0.3° | 0.0° |
C16 | C15 | C14 | N13 | 0.1° | 0.1° |
C16 | C15 | C14 | C1 | 179.7° | 180.0° |
C16 | C15 | C14 | C4 | 179.8° | 179.9° |
C16 | C15 | C4 | C3 | 179.4° | 180.0° |
C16 | C15 | C4 | H4 | 0.6° | 0.0° |
C17 | N13 | HN13 | C14 | 180.0° | 179.9° |
C17 | N13 | C14 | C1 | 179.4° | 180.0° |
C17 | N13 | C14 | C15 | 0.3° | 0.1° |
HN13 | N13 | C14 | C1 | 0.5° | 0.0° |
HN13 | N13 | C14 | C15 | 179.7° | 179.9° |
N13 | C14 | C1 | C15 | 179.7° | 179.9° |
N13 | C14 | C15 | C4 | 179.8° | 180.0° |
N13 | C14 | C1 | C2 | 179.6° | 179.9° |
N13 | C14 | C1 | H1 | 0.4° | 0.0° |
C1 | C14 | C15 | C4 | 0.1° | 0.0° |
C14 | C1 | C2 | C3 | 0.2° | 0.1° |
C14 | C1 | C2 | H1 | 180.0° | 179.8° |
C14 | C1 | C2 | H2 | 179.8° | 179.9° |
C14 | C15 | C4 | C3 | 0.3° | 0.1° |
C14 | C15 | C4 | H4 | 179.7° | 179.9° |
C15 | C14 | C1 | C2 | 0.1° | 0.0° |
C15 | C14 | C1 | H1 | 179.9° | 179.9° |
C15 | C4 | C3 | H4 | 180.0° | 180.0° |
C15 | C4 | C3 | C2 | 0.2° | 0.0° |
C15 | C4 | C3 | H3 | 179.8° | 180.0° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | C1 | 0.0° | 0.0° |
C4 | C3 | C2 | H2 | 180.0° | 180.0° |
H4 | C4 | C3 | C2 | 179.8° | 180.0° |
H4 | C4 | C3 | H3 | 0.2° | 0.1° |
C3 | C2 | C1 | H2 | 180.0° | 180.0° |
C3 | C2 | C1 | H1 | 179.9° | 179.9° |
H3 | C3 | C2 | C1 | 180.0° | 179.9° |
H3 | C3 | C2 | H2 | 0.0° | 0.1° |
H2 | C2 | C1 | H1 | 0.2° | 0.1° |