A1AJD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CEK | CEL | sing | 1.53Å | 1.58Å | |
CEL | CEM | sing | 1.53Å | 1.57Å | |
CEN | CEM | sing | 1.51Å | 1.37Å | |
CEN | CEO | doub | 1.31Å | 1.40Å | |
CEO | CEP | sing | 1.51Å | 1.43Å | |
CEP | CEQ | sing | 1.53Å | 1.55Å | |
CEQ | CER | sing | 1.53Å | 1.55Å | |
CEK | O1 | sing | 1.43Å | 1.58Å | |
CEK | H1 | sing | 1.09Å | 1.10Å | |
CEK | H2 | sing | 1.09Å | 1.10Å | |
CEL | H3 | sing | 1.09Å | 1.10Å | |
CEL | H4 | sing | 1.09Å | 1.10Å | |
CEM | H5 | sing | 1.09Å | 1.10Å | |
CEM | H6 | sing | 1.09Å | 1.10Å | |
CEN | H7 | sing | 1.08Å | 1.08Å | |
CEO | H8 | sing | 1.08Å | 1.08Å | |
CEP | H9 | sing | 1.09Å | 1.10Å | |
CEP | H10 | sing | 1.09Å | 1.10Å | |
CEQ | H11 | sing | 1.09Å | 1.10Å | |
CEQ | H12 | sing | 1.09Å | 1.10Å | |
CER | H13 | sing | 1.09Å | 1.10Å | |
CER | H14 | sing | 1.09Å | 1.10Å | |
CER | H15 | sing | 1.09Å | 1.10Å | |
O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CEK | CEL | CEM | 114.9° | 109.5° |
CEL | CEK | O1 | 114.4° | 109.5° |
CEL | CEK | H1 | 108.2° | 109.5° |
CEL | CEK | H2 | 108.2° | 109.5° |
CEK | CEL | H3 | 108.1° | 109.4° |
CEK | CEL | H4 | 108.1° | 109.4° |
CEL | CEM | CEN | 112.2° | 109.4° |
CEM | CEL | H3 | 108.1° | 109.5° |
CEM | CEL | H4 | 108.1° | 109.5° |
CEL | CEM | H5 | 108.8° | 109.4° |
CEL | CEM | H6 | 108.8° | 109.5° |
CEM | CEN | CEO | 119.3° | 120.0° |
CEN | CEM | H5 | 108.8° | 109.5° |
CEN | CEM | H6 | 108.8° | 109.5° |
CEM | CEN | H7 | 120.3° | 120.0° |
CEN | CEO | CEP | 134.4° | 120.0° |
CEO | CEN | H7 | 120.4° | 120.0° |
CEN | CEO | H8 | 112.8° | 120.0° |
CEO | CEP | CEQ | 116.9° | 109.5° |
CEP | CEO | H8 | 112.8° | 120.0° |
CEO | CEP | H9 | 107.6° | 109.5° |
CEO | CEP | H10 | 107.6° | 109.5° |
CEP | CEQ | CER | 111.8° | 109.5° |
CEQ | CEP | H9 | 107.6° | 109.5° |
CEQ | CEP | H10 | 107.6° | 109.5° |
CEP | CEQ | H11 | 108.9° | 109.5° |
CEP | CEQ | H12 | 108.9° | 109.5° |
CER | CEQ | H11 | 108.9° | 109.4° |
CER | CEQ | H12 | 108.9° | 109.5° |
CEQ | CER | H13 | 109.5° | 109.5° |
CEQ | CER | H14 | 109.5° | 109.5° |
CEQ | CER | H15 | 109.5° | 109.5° |
O1 | CEK | H1 | 108.2° | 109.4° |
O1 | CEK | H2 | 108.2° | 109.5° |
CEK | O1 | H16 | 109.5° | 114.0° |
H1 | CEK | H2 | 109.5° | 109.5° |
H3 | CEL | H4 | 109.5° | 109.5° |
H5 | CEM | H6 | 109.5° | 109.5° |
H9 | CEP | H10 | 109.5° | 109.5° |
H11 | CEQ | H12 | 109.5° | 109.5° |
H13 | CER | H14 | 109.5° | 109.4° |
H13 | CER | H15 | 109.5° | 109.5° |
H14 | CER | H15 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CEK | CEL | CEM | H3 | 120.8° | 120.0° |
CEK | CEL | CEM | H4 | 120.8° | 120.0° |
CEK | CEL | CEM | CEN | 179.2° | 180.0° |
CEL | CEK | O1 | H1 | 120.7° | 120.0° |
CEL | CEK | O1 | H2 | 120.7° | 120.0° |
CEL | CEK | H1 | H2 | 117.8° | 120.0° |
CEK | CEL | H3 | H4 | 117.6° | 120.0° |
CEK | CEL | CEM | H5 | 58.8° | 60.0° |
CEK | CEL | CEM | H6 | 60.4° | 60.0° |
CEL | CEK | O1 | H16 | 180.0° | 180.0° |
CEL | CEM | CEN | H5 | 120.4° | 119.9° |
CEL | CEM | CEN | H6 | 120.4° | 120.0° |
CEL | CEM | CEN | CEO | 149.6° | 127.6° |
CEM | CEL | CEK | O1 | 63.5° | 180.0° |
CEM | CEL | CEK | H1 | 57.2° | 60.0° |
CEM | CEL | CEK | H2 | 175.8° | 60.0° |
CEM | CEL | H3 | H4 | 117.5° | 120.1° |
CEL | CEM | H5 | H6 | 118.8° | 120.0° |
CEL | CEM | CEN | H7 | 30.3° | 52.4° |
CEM | CEN | CEO | H7 | 180.0° | 180.0° |
CEM | CEN | CEO | CEP | 0.1° | 7.5° |
CEN | CEM | CEL | H3 | 60.1° | 60.1° |
CEN | CEM | CEL | H4 | 58.4° | 60.0° |
CEN | CEM | H5 | H6 | 118.8° | 120.1° |
CEM | CEN | CEO | H8 | 179.9° | 172.5° |
CEN | CEO | CEP | H8 | 180.0° | 180.0° |
CEN | CEO | CEP | CEQ | 78.3° | 126.3° |
CEO | CEN | CEM | H5 | 90.0° | 7.7° |
CEO | CEN | CEM | H6 | 29.2° | 112.4° |
CEN | CEO | CEP | H9 | 160.6° | 113.7° |
CEN | CEO | CEP | H10 | 42.7° | 6.3° |
CEO | CEP | CEQ | H9 | 121.1° | 120.0° |
CEO | CEP | CEQ | H10 | 121.1° | 120.0° |
CEO | CEP | CEQ | CER | 179.2° | 180.0° |
CEP | CEO | CEN | H7 | 179.9° | 172.5° |
CEO | CEP | H9 | H10 | 116.6° | 120.0° |
CEO | CEP | CEQ | H11 | 60.5° | 60.0° |
CEO | CEP | CEQ | H12 | 58.8° | 60.0° |
CEP | CEQ | CER | H11 | 120.3° | 120.0° |
CEP | CEQ | CER | H12 | 120.4° | 120.0° |
CEQ | CEP | CEO | H8 | 101.7° | 53.7° |
CEQ | CEP | H9 | H10 | 116.6° | 120.0° |
CEP | CEQ | H11 | H12 | 118.9° | 120.0° |
CEP | CEQ | CER | H13 | 180.0° | 59.9° |
CEP | CEQ | CER | H14 | 60.0° | 60.0° |
CEP | CEQ | CER | H15 | 60.0° | 180.0° |
CER | CEQ | CEP | H9 | 58.1° | 60.0° |
CER | CEQ | CEP | H10 | 59.8° | 60.0° |
CER | CEQ | H11 | H12 | 119.0° | 120.0° |
CEQ | CER | H13 | H14 | 120.0° | 120.0° |
CEQ | CER | H13 | H15 | 120.0° | 120.1° |
CEQ | CER | H14 | H15 | 120.0° | 120.0° |
O1 | CEK | H1 | H2 | 117.8° | 120.0° |
O1 | CEK | CEL | H3 | 57.2° | 60.0° |
O1 | CEK | CEL | H4 | 175.7° | 60.0° |
H1 | CEK | CEL | H3 | 177.9° | 60.0° |
H1 | CEK | CEL | H4 | 63.6° | 180.0° |
H1 | CEK | O1 | H16 | 59.3° | 60.1° |
H2 | CEK | CEL | H3 | 63.5° | 180.0° |
H2 | CEK | CEL | H4 | 55.0° | 60.0° |
H2 | CEK | O1 | H16 | 59.3° | 59.9° |
H3 | CEL | CEM | H5 | 179.6° | 180.0° |
H3 | CEL | CEM | H6 | 60.3° | 59.9° |
H4 | CEL | CEM | H5 | 62.0° | 60.0° |
H4 | CEL | CEM | H6 | 178.8° | 180.0° |
H5 | CEM | CEN | H7 | 90.0° | 172.4° |
H6 | CEM | CEN | H7 | 150.7° | 67.6° |
H7 | CEN | CEO | H8 | 0.1° | 7.6° |
H8 | CEO | CEP | H9 | 19.4° | 66.3° |
H8 | CEO | CEP | H10 | 137.3° | 173.7° |
H9 | CEP | CEQ | H11 | 178.4° | 180.0° |
H9 | CEP | CEQ | H12 | 62.3° | 60.0° |
H10 | CEP | CEQ | H11 | 60.6° | 60.0° |
H10 | CEP | CEQ | H12 | 179.9° | 180.0° |
H11 | CEQ | CER | H13 | 59.7° | 180.0° |
H11 | CEQ | CER | H14 | 179.7° | 60.0° |
H11 | CEQ | CER | H15 | 60.4° | 60.0° |
H12 | CEQ | CER | H13 | 59.7° | 60.1° |
H12 | CEQ | CER | H14 | 60.4° | 180.0° |
H12 | CEQ | CER | H15 | 179.7° | 60.0° |
H13 | CER | H14 | H15 | 120.0° | 120.0° |