FCZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N11 | C8 | sing | 1.38Å | 1.33Å | |
C8 | N7 | doub | 1.31Å | 1.31Å | Aromatic |
C8 | O9 | sing | 1.34Å | 1.37Å | Aromatic |
N7 | C6 | sing | 1.36Å | 1.40Å | Aromatic |
O9 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
C5 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
C3 | C10 | sing | 1.48Å | 1.49Å | |
C10 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
C10 | C15 | sing | 1.46Å | 1.43Å | Aromatic |
N13 | N12 | sing | 1.40Å | 1.38Å | Aromatic |
C23 | C16 | sing | 1.51Å | 1.50Å | |
C22 | C20 | sing | 1.53Å | 1.53Å | |
C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
C16 | N17 | sing | 1.32Å | 1.35Å | Aromatic |
N12 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
N12 | C20 | sing | 1.46Å | 1.48Å | |
C14 | N19 | doub | 1.33Å | 1.34Å | Aromatic |
C20 | C21 | sing | 1.53Å | 1.53Å | |
N17 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
N19 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
C18 | N24 | sing | 1.38Å | 1.33Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C1 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
N11 | H4 | sing | 0.97Å | 1.00Å | |
N11 | H5 | sing | 0.97Å | 1.00Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.09Å | 1.10Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H15 | sing | 1.09Å | 1.10Å | |
N24 | H16 | sing | 0.97Å | 1.00Å | |
N24 | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N11 | C8 | N7 | 128.2° | 125.0° |
N11 | C8 | O9 | 116.4° | 124.9° |
C8 | N11 | H4 | 109.5° | 120.0° |
C8 | N11 | H5 | 109.5° | 120.0° |
N7 | C8 | O9 | 115.4° | 110.1° |
C8 | N7 | C6 | 103.8° | 108.7° |
C8 | O9 | C5 | 103.6° | 108.2° |
N7 | C6 | C5 | 108.9° | 106.6° |
N7 | C6 | C4 | 131.4° | 133.6° |
O9 | C5 | C6 | 108.3° | 106.3° |
O9 | C5 | C1 | 128.5° | 133.6° |
C5 | C6 | C4 | 119.7° | 119.8° |
C6 | C5 | C1 | 123.2° | 120.1° |
C6 | C4 | C3 | 118.2° | 119.6° |
C6 | C4 | H1 | 120.9° | 120.2° |
C5 | C1 | C2 | 117.2° | 120.0° |
C5 | C1 | H2 | 121.4° | 120.0° |
C4 | C3 | C2 | 120.4° | 120.1° |
C4 | C3 | C10 | 120.8° | 120.0° |
C3 | C4 | H1 | 120.9° | 120.2° |
C1 | C2 | C3 | 121.3° | 120.4° |
C2 | C1 | H2 | 121.4° | 120.0° |
C1 | C2 | H3 | 119.3° | 119.8° |
C2 | C3 | C10 | 118.8° | 120.0° |
C3 | C2 | H3 | 119.3° | 119.8° |
C3 | C10 | N13 | 116.9° | 126.4° |
C3 | C10 | C15 | 132.7° | 126.3° |
N13 | C10 | C15 | 110.5° | 107.3° |
C10 | N13 | N12 | 106.9° | 110.0° |
C10 | C15 | C16 | 143.0° | 134.9° |
C10 | C15 | C14 | 104.6° | 106.3° |
N13 | N12 | C14 | 111.2° | 109.5° |
N13 | N12 | C20 | 118.4° | 125.2° |
C23 | C16 | C15 | 122.1° | 120.7° |
C23 | C16 | N17 | 115.8° | 120.7° |
C16 | C23 | H13 | 109.5° | 109.5° |
C16 | C23 | H14 | 109.5° | 109.4° |
C16 | C23 | H15 | 109.5° | 109.5° |
C22 | C20 | N12 | 110.1° | 109.5° |
C22 | C20 | C21 | 111.9° | 109.5° |
C22 | C20 | H6 | 108.0° | 109.5° |
C20 | C22 | H10 | 109.5° | 109.5° |
C20 | C22 | H11 | 109.5° | 109.5° |
C20 | C22 | H12 | 109.5° | 109.5° |
C16 | C15 | C14 | 112.4° | 118.7° |
C15 | C16 | N17 | 122.1° | 118.6° |
C15 | C14 | N12 | 106.9° | 106.8° |
C15 | C14 | N19 | 127.1° | 118.7° |
C16 | N17 | C18 | 118.9° | 121.1° |
C14 | N12 | C20 | 130.4° | 125.3° |
N12 | C14 | N19 | 126.0° | 134.5° |
N12 | C20 | C21 | 110.2° | 109.5° |
N12 | C20 | H6 | 108.6° | 109.4° |
C14 | N19 | C18 | 114.4° | 120.5° |
C21 | C20 | H6 | 108.0° | 109.4° |
C20 | C21 | H7 | 109.5° | 109.5° |
C20 | C21 | H8 | 109.4° | 109.5° |
C20 | C21 | H9 | 109.5° | 109.5° |
N17 | C18 | N19 | 125.1° | 122.4° |
N17 | C18 | N24 | 117.7° | 118.8° |
N19 | C18 | N24 | 117.2° | 118.9° |
C18 | N24 | H16 | 109.5° | 120.0° |
C18 | N24 | H17 | 109.5° | 120.0° |
H4 | N11 | H5 | 109.5° | 120.0° |
H7 | C21 | H8 | 109.5° | 109.5° |
H7 | C21 | H9 | 109.5° | 109.5° |
H8 | C21 | H9 | 109.4° | 109.5° |
H10 | C22 | H11 | 109.4° | 109.4° |
H10 | C22 | H12 | 109.5° | 109.5° |
H11 | C22 | H12 | 109.5° | 109.5° |
H13 | C23 | H14 | 109.5° | 109.5° |
H13 | C23 | H15 | 109.5° | 109.5° |
H14 | C23 | H15 | 109.5° | 109.4° |
H16 | N24 | H17 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N11 | C8 | N7 | O9 | 179.9° | 179.7° |
N11 | C8 | N7 | C6 | 180.0° | 179.9° |
N11 | C8 | O9 | C5 | 180.0° | 179.9° |
C8 | N11 | H4 | H5 | 120.0° | 180.0° |
N7 | C8 | O9 | C5 | 0.0° | 0.3° |
C8 | N7 | C6 | C5 | 0.0° | 0.0° |
C8 | N7 | C6 | C4 | 180.0° | 179.9° |
N7 | C8 | N11 | H4 | 0.0° | 0.1° |
N7 | C8 | N11 | H5 | 120.0° | 180.0° |
O9 | C8 | N7 | C6 | 0.0° | 0.2° |
C8 | O9 | C5 | C6 | 0.0° | 0.3° |
C8 | O9 | C5 | C1 | 180.0° | 179.9° |
O9 | C8 | N11 | H4 | 179.9° | 179.8° |
O9 | C8 | N11 | H5 | 59.9° | 0.3° |
N7 | C6 | C5 | O9 | 0.0° | 0.2° |
N7 | C6 | C5 | C4 | 180.0° | 179.9° |
N7 | C6 | C5 | C1 | 180.0° | 179.9° |
N7 | C6 | C4 | C3 | 180.0° | 179.9° |
N7 | C6 | C4 | H1 | 0.1° | 0.5° |
O9 | C5 | C6 | C1 | 180.0° | 179.8° |
O9 | C5 | C6 | C4 | 180.0° | 179.9° |
O9 | C5 | C1 | C2 | 180.0° | 180.0° |
O9 | C5 | C1 | H2 | 0.0° | 0.2° |
C5 | C6 | C4 | C3 | 0.1° | 0.1° |
C6 | C5 | C1 | C2 | 0.0° | 0.3° |
C5 | C6 | C4 | H1 | 179.9° | 179.7° |
C6 | C5 | C1 | H2 | 180.0° | 180.0° |
C4 | C6 | C5 | C1 | 0.0° | 0.0° |
C6 | C4 | C3 | H1 | 180.0° | 179.6° |
C6 | C4 | C3 | C2 | 0.1° | 0.3° |
C6 | C4 | C3 | C10 | 180.0° | 179.7° |
C5 | C1 | C2 | H2 | 180.0° | 179.8° |
C5 | C1 | C2 | C3 | 0.1° | 0.5° |
C5 | C1 | C2 | H3 | 179.9° | 180.0° |
C4 | C3 | C2 | C1 | 0.1° | 0.5° |
C4 | C3 | C2 | C10 | 179.9° | 180.0° |
C4 | C3 | C10 | N13 | 126.7° | 135.1° |
C4 | C3 | C10 | C15 | 53.3° | 45.1° |
C4 | C3 | C2 | H3 | 179.9° | 179.9° |
C1 | C2 | C3 | H3 | 180.0° | 179.5° |
C1 | C2 | C3 | C10 | 179.9° | 179.5° |
C2 | C3 | C10 | N13 | 53.1° | 44.9° |
C2 | C3 | C10 | C15 | 126.8° | 134.9° |
C2 | C3 | C4 | H1 | 179.9° | 179.9° |
C3 | C2 | C1 | H2 | 180.0° | 179.8° |
C3 | C10 | N13 | C15 | 180.0° | 179.8° |
C3 | C10 | N13 | N12 | 179.9° | 179.8° |
C3 | C10 | C15 | C16 | 0.0° | 0.3° |
C3 | C10 | C15 | C14 | 179.9° | 179.8° |
C10 | C3 | C4 | H1 | 0.0° | 0.1° |
C10 | C3 | C2 | H3 | 0.0° | 0.1° |
N13 | C10 | C15 | C16 | 180.0° | 180.0° |
N13 | C10 | C15 | C14 | 0.0° | 0.0° |
C10 | N13 | N12 | C14 | 0.0° | 0.0° |
C10 | N13 | N12 | C20 | 180.0° | 179.9° |
C15 | C10 | N13 | N12 | 0.0° | 0.0° |
C10 | C15 | C16 | C23 | 0.0° | 0.0° |
C10 | C15 | C16 | C14 | 180.0° | 180.0° |
C10 | C15 | C16 | N17 | 180.0° | 180.0° |
C10 | C15 | C14 | N12 | 0.0° | 0.0° |
C10 | C15 | C14 | N19 | 180.0° | 179.9° |
N13 | N12 | C20 | C22 | 4.9° | 59.9° |
N13 | N12 | C14 | C15 | 0.0° | 0.0° |
N13 | N12 | C14 | C20 | 180.0° | 179.9° |
N13 | N12 | C14 | N19 | 180.0° | 179.9° |
N13 | N12 | C20 | C21 | 119.0° | 60.1° |
N13 | N12 | C20 | H6 | 122.9° | 180.0° |
C23 | C16 | C15 | N17 | 180.0° | 180.0° |
C23 | C16 | C15 | C14 | 180.0° | 180.0° |
C23 | C16 | N17 | C18 | 180.0° | 180.0° |
C16 | C23 | H13 | H14 | 120.0° | 120.0° |
C16 | C23 | H13 | H15 | 120.0° | 120.1° |
C16 | C23 | H14 | H15 | 120.0° | 120.0° |
C22 | C20 | N12 | C14 | 175.1° | 120.0° |
C22 | C20 | N12 | C21 | 123.9° | 120.0° |
C22 | C20 | N12 | H6 | 118.1° | 120.1° |
C22 | C20 | C21 | H6 | 118.8° | 120.0° |
C22 | C20 | C21 | H7 | 180.0° | 60.0° |
C22 | C20 | C21 | H8 | 60.0° | 60.0° |
C22 | C20 | C21 | H9 | 60.0° | 180.0° |
C20 | C22 | H10 | H11 | 120.0° | 120.0° |
C20 | C22 | H10 | H12 | 120.0° | 120.0° |
C20 | C22 | H11 | H12 | 120.0° | 120.0° |
C16 | C15 | C14 | N12 | 180.0° | 180.0° |
C16 | C15 | C14 | N19 | 0.0° | 0.1° |
C15 | C16 | N17 | C18 | 0.0° | 0.0° |
C15 | C16 | C23 | H13 | 180.0° | 84.7° |
C15 | C16 | C23 | H14 | 60.0° | 155.3° |
C15 | C16 | C23 | H15 | 60.0° | 35.3° |
C14 | C15 | C16 | N17 | 0.0° | 0.0° |
C15 | C14 | N12 | N19 | 180.0° | 179.9° |
C15 | C14 | N12 | C20 | 180.0° | 179.9° |
C15 | C14 | N19 | C18 | 0.0° | 0.1° |
C16 | N17 | C18 | N19 | 0.1° | 0.0° |
C16 | N17 | C18 | N24 | 180.0° | 180.0° |
N17 | C16 | C23 | H13 | 0.0° | 95.3° |
N17 | C16 | C23 | H14 | 120.0° | 24.7° |
N17 | C16 | C23 | H15 | 120.0° | 144.6° |
C14 | N12 | C20 | C21 | 61.0° | 120.0° |
N12 | C14 | N19 | C18 | 180.0° | 180.0° |
C14 | N12 | C20 | H6 | 57.0° | 0.1° |
C20 | N12 | C14 | N19 | 0.0° | 0.0° |
N12 | C20 | C21 | H6 | 118.4° | 119.9° |
N12 | C20 | C21 | H7 | 57.2° | 60.1° |
N12 | C20 | C21 | H8 | 177.2° | 180.0° |
N12 | C20 | C21 | H9 | 62.8° | 59.9° |
N12 | C20 | C22 | H10 | 180.0° | 60.0° |
N12 | C20 | C22 | H11 | 60.0° | 179.9° |
N12 | C20 | C22 | H12 | 60.0° | 60.0° |
C14 | N19 | C18 | N17 | 0.1° | 0.1° |
C14 | N19 | C18 | N24 | 180.0° | 180.0° |
C20 | C21 | H7 | H8 | 120.0° | 120.0° |
C20 | C21 | H7 | H9 | 120.0° | 120.0° |
C20 | C21 | H8 | H9 | 120.0° | 120.1° |
C21 | C20 | C22 | H10 | 57.1° | 180.0° |
C21 | C20 | C22 | H11 | 177.1° | 60.0° |
C21 | C20 | C22 | H12 | 62.9° | 60.0° |
N17 | C18 | N19 | N24 | 179.9° | 180.0° |
N17 | C18 | N24 | H16 | 0.0° | 0.0° |
N17 | C18 | N24 | H17 | 120.0° | 180.0° |
N19 | C18 | N24 | H16 | 179.9° | 180.0° |
N19 | C18 | N24 | H17 | 60.1° | 0.0° |
C18 | N24 | H16 | H17 | 120.0° | 180.0° |
H2 | C1 | C2 | H3 | 0.0° | 0.2° |
H6 | C20 | C21 | H7 | 61.2° | 180.0° |
H6 | C20 | C21 | H8 | 58.8° | 60.1° |
H6 | C20 | C21 | H9 | 178.7° | 60.0° |
H6 | C20 | C22 | H10 | 61.6° | 60.0° |
H6 | C20 | C22 | H11 | 58.4° | 59.9° |
H6 | C20 | C22 | H12 | 178.4° | 180.0° |
H7 | C21 | H8 | H9 | 120.0° | 120.0° |
H10 | C22 | H11 | H12 | 120.0° | 120.0° |
H13 | C23 | H14 | H15 | 120.0° | 120.0° |