FQZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C21 | C1 | sing | 1.53Å | 1.51Å | |
O16 | C14 | doub | 1.21Å | 1.26Å | |
C1 | C6 | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.51Å | |
C5 | C14 | sing | 1.51Å | 1.52Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C14 | O15 | sing | 1.34Å | 1.27Å | |
O17 | C2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O19 | sing | 1.43Å | 1.44Å | |
O15 | H1 | sing | 0.97Å | 0.95Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C21 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
O19 | H11 | sing | 0.97Å | 0.95Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
O17 | H13 | sing | 0.97Å | 0.95Å | |
C21 | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C21 | C1 | C6 | 107.6° | 109.5° |
C21 | C1 | C2 | 106.6° | 109.5° |
C21 | C1 | H5 | 110.3° | 109.4° |
C1 | C21 | H6 | 109.5° | 109.5° |
C1 | C21 | H7 | 109.5° | 109.5° |
C1 | C21 | H14 | 109.5° | 109.5° |
O16 | C14 | C5 | 118.1° | 120.0° |
O16 | C14 | O15 | 122.3° | 120.0° |
C6 | C1 | C2 | 112.0° | 109.5° |
C1 | C6 | C5 | 111.7° | 109.5° |
C1 | C6 | H3 | 108.9° | 109.4° |
C1 | C6 | H4 | 108.9° | 109.4° |
C6 | C1 | H5 | 110.0° | 109.5° |
C1 | C2 | O17 | 108.4° | 109.5° |
C1 | C2 | C3 | 111.4° | 109.5° |
C2 | C1 | H5 | 110.2° | 109.5° |
C1 | C2 | H12 | 108.4° | 109.4° |
C6 | C5 | C14 | 107.4° | 109.5° |
C6 | C5 | C4 | 110.2° | 109.5° |
C6 | C5 | H2 | 108.2° | 109.4° |
C5 | C6 | H3 | 108.9° | 109.5° |
C5 | C6 | H4 | 108.9° | 109.5° |
C14 | C5 | C4 | 114.7° | 109.5° |
C5 | C14 | O15 | 119.5° | 120.0° |
C14 | C5 | H2 | 108.1° | 109.5° |
C5 | C4 | C3 | 107.8° | 109.5° |
C4 | C5 | H2 | 108.0° | 109.5° |
C5 | C4 | H8 | 109.9° | 109.5° |
C5 | C4 | H9 | 109.9° | 109.5° |
C14 | O15 | H1 | 109.5° | 117.0° |
O17 | C2 | C3 | 110.6° | 109.5° |
O17 | C2 | H12 | 109.6° | 109.5° |
C2 | O17 | H13 | 109.5° | 114.0° |
C2 | C3 | C4 | 110.7° | 109.5° |
C2 | C3 | O19 | 109.8° | 109.5° |
C2 | C3 | H10 | 108.6° | 109.5° |
C3 | C2 | H12 | 108.4° | 109.5° |
C4 | C3 | O19 | 110.0° | 109.5° |
C3 | C4 | H8 | 109.9° | 109.5° |
C3 | C4 | H9 | 109.9° | 109.4° |
C4 | C3 | H10 | 108.2° | 109.5° |
O19 | C3 | H10 | 109.5° | 109.4° |
C3 | O19 | H11 | 109.5° | 114.0° |
H3 | C6 | H4 | 109.4° | 109.5° |
H6 | C21 | H7 | 109.5° | 109.5° |
H6 | C21 | H14 | 109.5° | 109.5° |
H7 | C21 | H14 | 109.4° | 109.4° |
H8 | C4 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C21 | C1 | C6 | C2 | 116.9° | 120.0° |
C21 | C1 | C6 | H5 | 120.2° | 120.0° |
C21 | C1 | C2 | H5 | 119.7° | 120.0° |
C21 | C1 | C6 | C5 | 169.1° | 180.0° |
C21 | C1 | C2 | O17 | 68.5° | 60.0° |
C21 | C1 | C2 | C3 | 169.6° | 180.0° |
C21 | C1 | C6 | H3 | 70.6° | 60.0° |
C21 | C1 | C6 | H4 | 48.7° | 60.0° |
C1 | C21 | H6 | H7 | 120.0° | 120.0° |
C1 | C21 | H6 | H14 | 120.0° | 120.0° |
C1 | C21 | H7 | H14 | 120.0° | 120.0° |
C21 | C1 | C2 | H12 | 50.4° | 60.0° |
O16 | C14 | C5 | C6 | 87.1° | 0.0° |
O16 | C14 | C5 | O15 | 178.9° | 179.8° |
O16 | C14 | C5 | C4 | 150.0° | 120.0° |
O16 | C14 | O15 | H1 | 0.0° | 0.1° |
O16 | C14 | C5 | H2 | 29.5° | 119.9° |
C6 | C1 | C2 | H5 | 122.8° | 120.0° |
C1 | C6 | C5 | H3 | 120.4° | 120.0° |
C1 | C6 | C5 | H4 | 120.3° | 120.0° |
C1 | C6 | C5 | C14 | 177.4° | 180.0° |
C1 | C6 | C5 | C4 | 57.0° | 60.0° |
C6 | C1 | C2 | O17 | 174.0° | 180.0° |
C6 | C1 | C2 | C3 | 52.1° | 60.0° |
C1 | C6 | C5 | H2 | 60.9° | 60.0° |
C1 | C6 | H3 | H4 | 118.9° | 119.9° |
C6 | C1 | C21 | H6 | 180.0° | 60.0° |
C6 | C1 | C21 | H7 | 60.0° | 180.0° |
C6 | C1 | C2 | H12 | 67.1° | 60.0° |
C6 | C1 | C21 | H14 | 60.0° | 60.0° |
C2 | C1 | C6 | C5 | 52.2° | 60.0° |
C1 | C2 | O17 | C3 | 122.4° | 120.0° |
C1 | C2 | O17 | H12 | 118.1° | 120.0° |
C1 | C2 | C3 | H12 | 119.2° | 120.0° |
C1 | C2 | C3 | C4 | 57.4° | 60.0° |
C1 | C2 | C3 | O19 | 179.0° | 180.0° |
C2 | C1 | C6 | H3 | 172.5° | 60.0° |
C2 | C1 | C6 | H4 | 68.2° | 180.0° |
C2 | C1 | C21 | H6 | 59.7° | 180.0° |
C2 | C1 | C21 | H7 | 60.4° | 60.0° |
C1 | C2 | C3 | H10 | 61.2° | 60.0° |
C1 | C2 | O17 | H13 | 180.0° | 180.0° |
C2 | C1 | C21 | H14 | 179.6° | 60.0° |
C6 | C5 | C14 | C4 | 122.8° | 120.0° |
C6 | C5 | C14 | H2 | 116.6° | 120.0° |
C6 | C5 | C4 | H2 | 118.0° | 120.0° |
C6 | C5 | C14 | O15 | 94.0° | 179.8° |
C6 | C5 | C4 | C3 | 60.8° | 60.0° |
C5 | C6 | H3 | H4 | 119.0° | 120.1° |
C5 | C6 | C1 | H5 | 70.8° | 60.0° |
C6 | C5 | C4 | H8 | 179.5° | 180.0° |
C6 | C5 | C4 | H9 | 59.0° | 60.0° |
C14 | C5 | C4 | H2 | 120.6° | 120.0° |
C14 | C5 | C4 | C3 | 177.9° | 180.0° |
C5 | C14 | O15 | H1 | 178.8° | 179.7° |
C14 | C5 | C6 | H3 | 57.0° | 60.0° |
C14 | C5 | C6 | H4 | 62.3° | 60.0° |
C14 | C5 | C4 | H8 | 58.1° | 60.0° |
C14 | C5 | C4 | H9 | 62.4° | 60.0° |
C4 | C5 | C14 | O15 | 28.8° | 59.8° |
C5 | C4 | C3 | C2 | 61.2° | 60.0° |
C5 | C4 | C3 | H8 | 119.8° | 120.0° |
C5 | C4 | C3 | H9 | 119.7° | 120.0° |
C5 | C4 | C3 | O19 | 177.3° | 180.0° |
C4 | C5 | C6 | H3 | 177.4° | 60.0° |
C4 | C5 | C6 | H4 | 63.3° | 180.0° |
C5 | C4 | H8 | H9 | 120.8° | 120.0° |
C5 | C4 | C3 | H10 | 57.7° | 60.0° |
O15 | C14 | C5 | H2 | 149.4° | 60.3° |
O17 | C2 | C3 | H12 | 120.2° | 120.0° |
O17 | C2 | C3 | C4 | 178.0° | 180.0° |
O17 | C2 | C3 | O19 | 60.4° | 60.0° |
O17 | C2 | C1 | H5 | 51.3° | 60.0° |
O17 | C2 | C3 | H10 | 59.3° | 60.0° |
C2 | C3 | C4 | O19 | 121.5° | 120.0° |
C2 | C3 | C4 | H10 | 118.9° | 120.0° |
C2 | C3 | O19 | H10 | 119.2° | 120.0° |
C3 | C2 | C1 | H5 | 70.6° | 60.0° |
C2 | C3 | C4 | H8 | 179.0° | 180.0° |
C2 | C3 | C4 | H9 | 58.5° | 60.0° |
C2 | C3 | O19 | H11 | 180.0° | 180.0° |
C3 | C2 | O17 | H13 | 57.6° | 60.0° |
C4 | C3 | O19 | H10 | 118.8° | 120.0° |
C3 | C4 | C5 | H2 | 57.3° | 60.0° |
C3 | C4 | H8 | H9 | 120.7° | 120.0° |
C4 | C3 | O19 | H11 | 58.0° | 60.0° |
C4 | C3 | C2 | H12 | 61.8° | 60.0° |
O19 | C3 | C4 | H8 | 57.6° | 60.0° |
O19 | C3 | C4 | H9 | 62.9° | 60.0° |
O19 | C3 | C2 | H12 | 59.8° | 60.0° |
H2 | C5 | C6 | H3 | 59.5° | 180.0° |
H2 | C5 | C6 | H4 | 178.8° | 60.0° |
H2 | C5 | C4 | H8 | 62.5° | 60.0° |
H2 | C5 | C4 | H9 | 177.0° | 179.9° |
H3 | C6 | C1 | H5 | 49.6° | 179.9° |
H4 | C6 | C1 | H5 | 168.9° | 60.0° |
H5 | C1 | C21 | H6 | 60.0° | 60.0° |
H5 | C1 | C21 | H7 | 179.9° | 60.0° |
H5 | C1 | C2 | H12 | 170.1° | 180.0° |
H5 | C1 | C21 | H14 | 60.0° | 180.0° |
H6 | C21 | H7 | H14 | 120.0° | 120.0° |
H8 | C4 | C3 | H10 | 62.1° | 60.0° |
H9 | C4 | C3 | H10 | 177.4° | 180.0° |
H10 | C3 | O19 | H11 | 60.8° | 60.0° |
H10 | C3 | C2 | H12 | 179.6° | 180.0° |
H12 | C2 | O17 | H13 | 61.9° | 60.0° |