1JW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O09 | C06 | sing | 1.43Å | 1.42Å | |
O04 | C03 | sing | 1.43Å | 1.46Å | |
C03 | C02 | sing | 1.53Å | 1.42Å | |
C06 | C05 | sing | 1.53Å | 1.57Å | |
C06 | C07 | sing | 1.53Å | 1.58Å | |
O08 | C07 | sing | 1.43Å | 1.46Å | |
C01 | C05 | sing | 1.53Å | 1.54Å | |
C01 | C02 | sing | 1.53Å | 1.57Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
O04 | H7 | sing | 0.97Å | 0.95Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
O08 | H13 | sing | 0.97Å | 0.95Å | |
O09 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O09 | C06 | C05 | 109.0° | 109.4° |
O09 | C06 | C07 | 108.9° | 109.5° |
O09 | C06 | H10 | 110.9° | 109.4° |
C06 | O09 | H14 | 109.5° | 114.0° |
O04 | C03 | C02 | 104.8° | 109.5° |
O04 | C03 | H5 | 110.6° | 109.5° |
O04 | C03 | H6 | 110.6° | 109.5° |
C03 | O04 | H7 | 109.5° | 114.0° |
C03 | C02 | C01 | 112.6° | 109.5° |
C03 | C02 | H3 | 108.7° | 109.5° |
C03 | C02 | H4 | 108.7° | 109.4° |
C02 | C03 | H5 | 110.6° | 109.5° |
C02 | C03 | H6 | 110.6° | 109.5° |
C05 | C06 | C07 | 110.6° | 109.5° |
C06 | C05 | C01 | 115.4° | 109.5° |
C06 | C05 | H8 | 108.0° | 109.4° |
C06 | C05 | H9 | 108.0° | 109.5° |
C05 | C06 | H10 | 108.8° | 109.5° |
C06 | C07 | O08 | 110.5° | 109.5° |
C07 | C06 | H10 | 108.6° | 109.5° |
C06 | C07 | H11 | 109.2° | 109.5° |
C06 | C07 | H12 | 109.2° | 109.5° |
O08 | C07 | H11 | 109.2° | 109.4° |
O08 | C07 | H12 | 109.2° | 109.5° |
C07 | O08 | H13 | 109.5° | 114.0° |
C05 | C01 | C02 | 113.5° | 109.4° |
C05 | C01 | H1 | 108.4° | 109.5° |
C05 | C01 | H2 | 108.4° | 109.5° |
C01 | C05 | H8 | 107.9° | 109.5° |
C01 | C05 | H9 | 107.9° | 109.5° |
C02 | C01 | H1 | 108.4° | 109.5° |
C02 | C01 | H2 | 108.4° | 109.5° |
C01 | C02 | H3 | 108.7° | 109.5° |
C01 | C02 | H4 | 108.7° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H3 | C02 | H4 | 109.4° | 109.5° |
H5 | C03 | H6 | 109.5° | 109.4° |
H8 | C05 | H9 | 109.5° | 109.5° |
H11 | C07 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O09 | C06 | C05 | C07 | 119.7° | 120.0° |
O09 | C06 | C05 | H10 | 121.0° | 119.9° |
O09 | C06 | C07 | H10 | 120.8° | 120.0° |
O09 | C06 | C07 | O08 | 62.4° | 65.0° |
O09 | C06 | C05 | C01 | 66.6° | 65.0° |
O09 | C06 | C05 | H8 | 54.3° | 175.0° |
O09 | C06 | C05 | H9 | 172.5° | 55.0° |
O09 | C06 | C07 | H11 | 177.5° | 175.0° |
O09 | C06 | C07 | H12 | 57.8° | 55.0° |
O04 | C03 | C02 | H5 | 119.3° | 120.0° |
O04 | C03 | C02 | H6 | 119.2° | 120.0° |
O04 | C03 | C02 | C01 | 82.1° | 180.0° |
O04 | C03 | C02 | H3 | 38.3° | 60.0° |
O04 | C03 | C02 | H4 | 157.4° | 60.0° |
O04 | C03 | H5 | H6 | 122.1° | 120.0° |
C03 | C02 | C01 | C05 | 76.2° | 180.0° |
C03 | C02 | C01 | H3 | 120.5° | 120.0° |
C03 | C02 | C01 | H4 | 120.5° | 120.0° |
C03 | C02 | C01 | H1 | 163.2° | 60.0° |
C03 | C02 | C01 | H2 | 44.3° | 60.0° |
C03 | C02 | H3 | H4 | 118.6° | 120.0° |
C02 | C03 | H5 | H6 | 122.2° | 120.0° |
C02 | C03 | O04 | H7 | 180.0° | 180.0° |
C05 | C06 | C07 | H10 | 119.3° | 120.1° |
C05 | C06 | C07 | O08 | 177.8° | 175.0° |
C06 | C05 | C01 | H8 | 120.9° | 119.9° |
C06 | C05 | C01 | H9 | 120.9° | 120.0° |
C06 | C05 | C01 | C02 | 178.2° | 180.0° |
C06 | C05 | C01 | H1 | 61.2° | 60.0° |
C06 | C05 | C01 | H2 | 57.7° | 60.0° |
C06 | C05 | H8 | H9 | 117.3° | 120.0° |
C05 | C06 | C07 | H11 | 57.7° | 55.1° |
C05 | C06 | C07 | H12 | 62.0° | 65.0° |
C05 | C06 | O09 | H14 | 180.0° | 60.1° |
C06 | C07 | O08 | H11 | 120.1° | 120.0° |
C06 | C07 | O08 | H12 | 120.2° | 120.1° |
C07 | C06 | C05 | C01 | 173.7° | 175.0° |
C07 | C06 | C05 | H8 | 65.5° | 55.0° |
C07 | C06 | C05 | H9 | 52.8° | 65.0° |
C06 | C07 | H11 | H12 | 119.5° | 120.1° |
C06 | C07 | O08 | H13 | 180.0° | 180.0° |
C07 | C06 | O09 | H14 | 59.2° | 60.0° |
O08 | C07 | C06 | H10 | 58.5° | 54.9° |
O08 | C07 | H11 | H12 | 119.5° | 120.0° |
C05 | C01 | C02 | H1 | 120.6° | 120.0° |
C05 | C01 | C02 | H2 | 120.6° | 120.0° |
C05 | C01 | H1 | H2 | 118.2° | 120.0° |
C05 | C01 | C02 | H3 | 163.3° | 60.0° |
C05 | C01 | C02 | H4 | 44.2° | 60.0° |
C01 | C05 | H8 | H9 | 117.3° | 120.1° |
C01 | C05 | C06 | H10 | 54.4° | 55.0° |
C02 | C01 | H1 | H2 | 118.1° | 120.0° |
C01 | C02 | H3 | H4 | 118.6° | 120.0° |
C01 | C02 | C03 | H5 | 158.6° | 60.0° |
C01 | C02 | C03 | H6 | 37.1° | 60.0° |
C02 | C01 | C05 | H8 | 57.4° | 60.0° |
C02 | C01 | C05 | H9 | 60.9° | 60.0° |
H1 | C01 | C02 | H3 | 42.7° | 60.0° |
H1 | C01 | C02 | H4 | 76.3° | 179.9° |
H1 | C01 | C05 | H8 | 177.9° | 180.0° |
H1 | C01 | C05 | H9 | 59.7° | 60.0° |
H2 | C01 | C02 | H3 | 76.2° | 180.0° |
H2 | C01 | C02 | H4 | 164.8° | 60.0° |
H2 | C01 | C05 | H8 | 63.2° | 59.9° |
H2 | C01 | C05 | H9 | 178.5° | 180.0° |
H3 | C02 | C03 | H5 | 80.9° | 180.0° |
H3 | C02 | C03 | H6 | 157.6° | 60.0° |
H4 | C02 | C03 | H5 | 38.1° | 60.0° |
H4 | C02 | C03 | H6 | 83.4° | 180.0° |
H5 | C03 | O04 | H7 | 60.7° | 60.0° |
H6 | C03 | O04 | H7 | 60.8° | 60.0° |
H8 | C05 | C06 | H10 | 175.3° | 65.0° |
H9 | C05 | C06 | H10 | 66.5° | 175.0° |
H10 | C06 | C07 | H11 | 61.7° | 65.0° |
H10 | C06 | C07 | H12 | 178.7° | 175.0° |
H10 | C06 | O09 | H14 | 60.3° | 180.0° |
H11 | C07 | O08 | H13 | 59.8° | 60.0° |
H12 | C07 | O08 | H13 | 59.8° | 59.9° |