3ZQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C1 | C6 | sing | 1.53Å | 1.51Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C6 | O7 | sing | 1.43Å | 1.41Å | |
C6 | C5 | sing | 1.53Å | 1.50Å | |
C4 | C5 | sing | 1.53Å | 1.50Å | |
C5 | O8 | sing | 1.43Å | 1.42Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
O7 | H11 | sing | 0.97Å | 0.95Å | |
O8 | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 114.2° | 109.5° |
C2 | C1 | C6 | 109.7° | 109.5° |
C2 | C1 | H5 | 109.4° | 109.5° |
C2 | C1 | H6 | 109.4° | 109.5° |
C1 | C2 | H7 | 108.3° | 109.5° |
C1 | C2 | H8 | 108.3° | 109.5° |
C2 | C3 | C4 | 115.4° | 109.5° |
C3 | C2 | H7 | 108.3° | 109.5° |
C3 | C2 | H8 | 108.3° | 109.5° |
C2 | C3 | H9 | 107.9° | 109.5° |
C2 | C3 | H10 | 108.0° | 109.5° |
C1 | C6 | O7 | 111.6° | 109.5° |
C1 | C6 | C5 | 106.2° | 109.5° |
C1 | C6 | H4 | 109.1° | 109.4° |
C6 | C1 | H5 | 109.4° | 109.5° |
C6 | C1 | H6 | 109.4° | 109.5° |
C3 | C4 | C5 | 110.3° | 109.5° |
C3 | C4 | H1 | 109.3° | 109.5° |
C3 | C4 | H2 | 109.3° | 109.5° |
C4 | C3 | H9 | 108.0° | 109.5° |
C4 | C3 | H10 | 108.0° | 109.5° |
O7 | C6 | C5 | 109.9° | 109.5° |
O7 | C6 | H4 | 110.6° | 109.4° |
C6 | O7 | H11 | 109.5° | 114.0° |
C6 | C5 | C4 | 103.8° | 109.5° |
C6 | C5 | O8 | 111.6° | 109.5° |
C6 | C5 | H3 | 109.4° | 109.5° |
C5 | C6 | H4 | 109.3° | 109.5° |
C4 | C5 | O8 | 111.8° | 109.5° |
C5 | C4 | H1 | 109.3° | 109.5° |
C5 | C4 | H2 | 109.3° | 109.5° |
C4 | C5 | H3 | 109.4° | 109.4° |
O8 | C5 | H3 | 110.6° | 109.4° |
C5 | O8 | H12 | 109.5° | 114.0° |
H1 | C4 | H2 | 109.4° | 109.4° |
H5 | C1 | H6 | 109.5° | 109.4° |
H7 | C2 | H8 | 109.5° | 109.4° |
H9 | C3 | H10 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | H7 | 120.7° | 120.0° |
C1 | C2 | C3 | H8 | 120.7° | 120.0° |
C2 | C1 | C6 | H5 | 120.0° | 120.0° |
C2 | C1 | C6 | H6 | 120.0° | 120.0° |
C1 | C2 | C3 | C4 | 33.5° | 60.0° |
C2 | C1 | C6 | O7 | 174.3° | 180.0° |
C2 | C1 | C6 | C5 | 65.9° | 60.0° |
C2 | C1 | C6 | H4 | 51.8° | 60.0° |
C2 | C1 | H5 | H6 | 119.9° | 120.0° |
C1 | C2 | H7 | H8 | 117.9° | 120.0° |
C1 | C2 | C3 | H9 | 154.4° | 60.0° |
C1 | C2 | C3 | H10 | 87.4° | 180.0° |
C3 | C2 | C1 | C6 | 43.4° | 60.0° |
C2 | C3 | C4 | H9 | 120.8° | 120.0° |
C2 | C3 | C4 | H10 | 120.9° | 120.0° |
C2 | C3 | C4 | C5 | 44.8° | 60.0° |
C2 | C3 | C4 | H1 | 75.4° | 180.0° |
C2 | C3 | C4 | H2 | 164.9° | 60.0° |
C3 | C2 | C1 | H5 | 76.6° | 180.0° |
C3 | C2 | C1 | H6 | 163.4° | 60.0° |
C3 | C2 | H7 | H8 | 117.8° | 120.0° |
C2 | C3 | H9 | H10 | 117.3° | 120.0° |
C1 | C6 | O7 | C5 | 117.5° | 120.0° |
C1 | C6 | O7 | H4 | 121.7° | 120.0° |
C1 | C6 | C5 | H4 | 117.6° | 120.0° |
C1 | C6 | C5 | C4 | 76.8° | 60.0° |
C1 | C6 | C5 | O8 | 162.6° | 180.0° |
C1 | C6 | C5 | H3 | 39.9° | 60.0° |
C6 | C1 | H5 | H6 | 119.9° | 120.0° |
C6 | C1 | C2 | H7 | 77.3° | 60.0° |
C6 | C1 | C2 | H8 | 164.1° | 180.0° |
C1 | C6 | O7 | H11 | 180.0° | 60.0° |
C3 | C4 | C5 | C6 | 65.1° | 60.0° |
C3 | C4 | C5 | H1 | 120.1° | 120.0° |
C3 | C4 | C5 | H2 | 120.1° | 120.0° |
C3 | C4 | C5 | O8 | 174.4° | 180.0° |
C3 | C4 | H1 | H2 | 119.6° | 120.0° |
C3 | C4 | C5 | H3 | 51.5° | 60.0° |
C4 | C3 | C2 | H7 | 87.2° | 60.0° |
C4 | C3 | C2 | H8 | 154.2° | 180.0° |
C4 | C3 | H9 | H10 | 117.3° | 120.0° |
O7 | C6 | C5 | H4 | 121.5° | 120.0° |
O7 | C6 | C5 | C4 | 162.4° | 180.0° |
O7 | C6 | C5 | O8 | 41.8° | 60.0° |
O7 | C6 | C5 | H3 | 81.0° | 60.0° |
O7 | C6 | C1 | H5 | 65.7° | 59.9° |
O7 | C6 | C1 | H6 | 54.3° | 60.0° |
C6 | C5 | C4 | O8 | 120.4° | 120.1° |
C6 | C5 | C4 | H3 | 116.7° | 120.0° |
C6 | C5 | O8 | H3 | 122.0° | 120.0° |
C6 | C5 | C4 | H1 | 55.0° | 180.0° |
C6 | C5 | C4 | H2 | 174.7° | 60.1° |
C5 | C6 | C1 | H5 | 54.1° | 180.0° |
C5 | C6 | C1 | H6 | 174.0° | 60.1° |
C5 | C6 | O7 | H11 | 62.4° | 180.0° |
C6 | C5 | O8 | H12 | 180.0° | 180.0° |
C4 | C5 | O8 | H3 | 122.2° | 120.0° |
C5 | C4 | H1 | H2 | 119.6° | 120.0° |
C4 | C5 | C6 | H4 | 40.9° | 60.0° |
C5 | C4 | C3 | H9 | 165.6° | 60.0° |
C5 | C4 | C3 | H10 | 76.1° | 180.0° |
C4 | C5 | O8 | H12 | 64.3° | 60.0° |
O8 | C5 | C4 | H1 | 65.4° | 59.9° |
O8 | C5 | C4 | H2 | 54.3° | 60.0° |
O8 | C5 | C6 | H4 | 79.7° | 60.0° |
H1 | C4 | C5 | H3 | 171.7° | 60.0° |
H1 | C4 | C3 | H9 | 45.5° | 60.0° |
H1 | C4 | C3 | H10 | 163.8° | 60.0° |
H2 | C4 | C5 | H3 | 68.6° | 180.0° |
H2 | C4 | C3 | H9 | 74.2° | 180.0° |
H2 | C4 | C3 | H10 | 44.1° | 60.0° |
H3 | C5 | C6 | H4 | 157.5° | 180.0° |
H3 | C5 | O8 | H12 | 57.9° | 60.0° |
H4 | C6 | C1 | H5 | 171.8° | 60.0° |
H4 | C6 | C1 | H6 | 68.2° | 180.0° |
H4 | C6 | O7 | H11 | 58.3° | 60.0° |
H5 | C1 | C2 | H7 | 162.7° | 60.0° |
H5 | C1 | C2 | H8 | 44.1° | 60.0° |
H6 | C1 | C2 | H7 | 42.8° | 180.0° |
H6 | C1 | C2 | H8 | 75.9° | 60.0° |
H7 | C2 | C3 | H9 | 33.7° | 180.0° |
H7 | C2 | C3 | H10 | 151.9° | 60.0° |
H8 | C2 | C3 | H9 | 84.9° | 60.0° |
H8 | C2 | C3 | H10 | 33.4° | 60.0° |