9WN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O14 | C12 | doub | 1.21Å | 1.26Å | |
C10 | O11 | sing | 1.43Å | 1.40Å | |
C10 | C09 | sing | 1.53Å | 1.54Å | |
C12 | C09 | sing | 1.51Å | 1.54Å | |
C12 | O13 | sing | 1.34Å | 1.26Å | |
C09 | O1 | sing | 1.43Å | 1.41Å | |
O1 | C1 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.53Å | 1.56Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
O5 | C5 | sing | 1.43Å | 1.46Å | |
O5 | C1 | sing | 1.43Å | 1.45Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
O4 | C4 | sing | 1.43Å | 1.41Å | |
C4 | C3 | sing | 1.53Å | 1.49Å | |
C3 | C2 | sing | 1.53Å | 1.48Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C10 | H1A | sing | 1.09Å | 1.10Å | |
C10 | H2A | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
O11 | H11 | sing | 0.97Å | 0.95Å | |
O13 | H12 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O14 | C12 | C09 | 118.6° | 120.0° |
O14 | C12 | O13 | 118.8° | 120.0° |
O11 | C10 | C09 | 110.5° | 109.4° |
O11 | C10 | H1A | 109.2° | 109.5° |
O11 | C10 | H2A | 109.2° | 109.5° |
C10 | O11 | H11 | 109.5° | 114.0° |
C10 | C09 | C12 | 107.9° | 109.5° |
C10 | C09 | O1 | 108.9° | 109.5° |
C09 | C10 | H1A | 109.2° | 109.5° |
C09 | C10 | H2A | 109.2° | 109.4° |
C10 | C09 | H10 | 107.7° | 109.5° |
C09 | C12 | O13 | 122.6° | 120.0° |
C12 | C09 | O1 | 115.1° | 109.5° |
C12 | C09 | H10 | 107.6° | 109.4° |
C12 | O13 | H12 | 109.5° | 117.0° |
C09 | O1 | C1 | 122.2° | 114.0° |
O1 | C09 | H10 | 109.4° | 109.4° |
O1 | C1 | O5 | 110.0° | 109.5° |
O1 | C1 | C2 | 111.2° | 109.5° |
O1 | C1 | H1 | 109.5° | 109.5° |
C5 | C6 | O6 | 109.0° | 109.5° |
C6 | C5 | O5 | 106.1° | 109.5° |
C6 | C5 | C4 | 109.7° | 109.5° |
C5 | C6 | H61 | 109.6° | 109.5° |
C5 | C6 | H62 | 109.6° | 109.5° |
C6 | C5 | H5 | 108.3° | 109.5° |
O6 | C6 | H61 | 109.6° | 109.5° |
O6 | C6 | H62 | 109.6° | 109.4° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C5 | O5 | C1 | 116.2° | 114.1° |
O5 | C5 | C4 | 114.3° | 109.4° |
O5 | C5 | H5 | 109.6° | 109.5° |
O5 | C1 | C2 | 108.9° | 109.4° |
O5 | C1 | H1 | 109.1° | 109.5° |
C5 | C4 | O4 | 105.8° | 109.5° |
C5 | C4 | C3 | 109.9° | 109.1° |
C4 | C5 | H5 | 108.7° | 109.4° |
C5 | C4 | H4 | 109.6° | 109.5° |
C1 | C2 | C3 | 109.9° | 109.1° |
C1 | C2 | O2 | 107.5° | 109.5° |
C1 | C2 | H2 | 108.1° | 109.6° |
C2 | C1 | H1 | 108.1° | 109.5° |
O4 | C4 | C3 | 110.3° | 109.5° |
O4 | C4 | H4 | 111.2° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 111.7° | 109.0° |
C4 | C3 | O3 | 110.5° | 109.5° |
C3 | C4 | H4 | 110.0° | 109.5° |
C4 | C3 | H3 | 107.2° | 109.6° |
C2 | C3 | O3 | 111.5° | 109.5° |
C3 | C2 | O2 | 112.7° | 109.5° |
C2 | C3 | H3 | 107.4° | 109.6° |
C3 | C2 | H2 | 108.8° | 109.5° |
O3 | C3 | H3 | 108.3° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O2 | C2 | H2 | 109.8° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
H1A | C10 | H2A | 109.5° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O14 | C12 | C09 | C10 | 63.0° | 115.0° |
O14 | C12 | C09 | O13 | 178.2° | 180.0° |
O14 | C12 | C09 | O1 | 175.2° | 5.0° |
O14 | C12 | C09 | H10 | 52.9° | 125.0° |
O14 | C12 | O13 | H12 | 0.0° | 0.1° |
O11 | C10 | C09 | H1A | 120.1° | 120.0° |
O11 | C10 | C09 | H2A | 120.1° | 120.0° |
O11 | C10 | C09 | C12 | 167.0° | 55.0° |
O11 | C10 | C09 | O1 | 67.5° | 65.0° |
O11 | C10 | H1A | H2A | 119.5° | 120.0° |
O11 | C10 | C09 | H10 | 51.0° | 175.0° |
C10 | C09 | C12 | O1 | 121.7° | 120.1° |
C10 | C09 | C12 | H10 | 116.0° | 120.0° |
C10 | C09 | C12 | O13 | 115.2° | 65.0° |
C10 | C09 | O1 | H10 | 117.4° | 120.0° |
C10 | C09 | O1 | C1 | 166.3° | 150.0° |
C09 | C10 | H1A | H2A | 119.6° | 120.0° |
C09 | C10 | O11 | H11 | 180.0° | 180.0° |
C12 | C09 | O1 | H10 | 121.3° | 120.0° |
C12 | C09 | O1 | C1 | 72.5° | 90.0° |
C12 | C09 | C10 | H1A | 72.9° | 175.0° |
C12 | C09 | C10 | H2A | 46.8° | 64.9° |
C09 | C12 | O13 | H12 | 178.3° | 180.0° |
O13 | C12 | C09 | O1 | 6.6° | 175.0° |
O13 | C12 | C09 | H10 | 128.9° | 55.0° |
C09 | O1 | C1 | O5 | 49.6° | 70.0° |
C09 | O1 | C1 | C2 | 170.3° | 170.0° |
O1 | C09 | C10 | H1A | 52.6° | 55.0° |
O1 | C09 | C10 | H2A | 172.4° | 175.0° |
C09 | O1 | C1 | H1 | 70.3° | 50.0° |
O1 | C1 | O5 | C5 | 70.3° | 58.9° |
O1 | C1 | O5 | C2 | 122.1° | 120.0° |
O1 | C1 | O5 | H1 | 120.1° | 120.0° |
O1 | C1 | C2 | H1 | 120.2° | 120.0° |
O1 | C1 | C2 | C3 | 63.4° | 62.4° |
O1 | C1 | C2 | O2 | 59.5° | 57.5° |
O1 | C1 | C2 | H2 | 178.0° | 177.7° |
C1 | O1 | C09 | H10 | 48.9° | 30.0° |
C5 | C6 | O6 | H61 | 119.9° | 120.1° |
C5 | C6 | O6 | H62 | 119.9° | 120.0° |
C6 | C5 | O5 | C4 | 121.0° | 120.0° |
C6 | C5 | O5 | H5 | 116.7° | 120.0° |
C6 | C5 | O5 | C1 | 168.4° | 178.8° |
C6 | C5 | C4 | H5 | 118.2° | 120.0° |
C6 | C5 | C4 | O4 | 75.7° | 62.5° |
C6 | C5 | C4 | C3 | 165.2° | 177.6° |
C5 | C6 | H61 | H62 | 120.2° | 120.0° |
C6 | C5 | C4 | H4 | 44.2° | 57.7° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O6 | C6 | C5 | O5 | 67.1° | 65.0° |
O6 | C6 | C5 | C4 | 56.8° | 175.0° |
O6 | C6 | H61 | H62 | 120.2° | 120.0° |
O6 | C6 | C5 | H5 | 175.3° | 55.0° |
O5 | C5 | C4 | H5 | 122.8° | 120.0° |
C5 | O5 | C1 | C2 | 51.8° | 61.1° |
O5 | C5 | C4 | O4 | 165.3° | 177.5° |
O5 | C5 | C4 | C3 | 46.2° | 57.6° |
O5 | C5 | C6 | H61 | 52.9° | 174.9° |
O5 | C5 | C6 | H62 | 173.0° | 55.0° |
O5 | C5 | C4 | H4 | 74.8° | 62.3° |
C5 | O5 | C1 | H1 | 169.6° | 178.9° |
C1 | O5 | C5 | C4 | 47.4° | 61.1° |
O5 | C1 | C2 | H1 | 118.4° | 120.0° |
O5 | C1 | C2 | C3 | 58.0° | 57.6° |
O5 | C1 | C2 | O2 | 179.1° | 177.5° |
C1 | O5 | C5 | H5 | 74.9° | 58.8° |
O5 | C1 | C2 | H2 | 60.6° | 62.3° |
C5 | C4 | O4 | C3 | 118.8° | 119.7° |
C5 | C4 | O4 | H4 | 118.9° | 120.2° |
C5 | C4 | C3 | H4 | 120.7° | 119.9° |
C5 | C4 | C3 | C2 | 54.4° | 57.0° |
C5 | C4 | C3 | O3 | 179.2° | 176.8° |
C4 | C5 | C6 | H61 | 176.8° | 54.9° |
C4 | C5 | C6 | H62 | 63.1° | 65.0° |
C5 | C4 | C3 | H3 | 63.0° | 62.9° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 61.6° | 57.0° |
C1 | C2 | C3 | O2 | 119.8° | 119.9° |
C1 | C2 | C3 | H2 | 118.2° | 120.0° |
C1 | C2 | C3 | O3 | 174.2° | 176.8° |
C1 | C2 | O2 | H2 | 117.4° | 120.2° |
C1 | C2 | C3 | H3 | 55.7° | 62.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
O4 | C4 | C3 | H4 | 123.0° | 120.2° |
O4 | C4 | C3 | C2 | 170.7° | 176.9° |
O4 | C4 | C3 | O3 | 64.5° | 63.3° |
O4 | C4 | C5 | H5 | 42.6° | 57.5° |
O4 | C4 | C3 | H3 | 53.3° | 57.0° |
C4 | C3 | C2 | O3 | 124.2° | 119.8° |
C4 | C3 | C2 | H3 | 117.3° | 119.9° |
C4 | C3 | O3 | H3 | 117.2° | 120.2° |
C4 | C3 | C2 | O2 | 178.6° | 176.9° |
C3 | C4 | C5 | H5 | 76.5° | 62.4° |
C4 | C3 | C2 | H2 | 56.6° | 63.0° |
C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
C3 | C4 | O4 | HO4 | 61.2° | 60.3° |
C2 | C3 | O3 | H3 | 118.0° | 120.3° |
C3 | C2 | O2 | H2 | 121.4° | 120.1° |
C2 | C3 | C4 | H4 | 66.3° | 62.9° |
C3 | C2 | C1 | H1 | 176.4° | 177.6° |
C3 | C2 | O2 | HO2 | 58.8° | 180.0° |
C2 | C3 | O3 | HO3 | 55.1° | 60.5° |
O3 | C3 | C2 | O2 | 54.4° | 63.3° |
O3 | C3 | C4 | H4 | 58.5° | 57.0° |
O3 | C3 | C2 | H2 | 67.6° | 56.9° |
O2 | C2 | C3 | H3 | 64.2° | 57.0° |
O2 | C2 | C1 | H1 | 60.7° | 62.5° |
H1A | C10 | C09 | H10 | 171.2° | 65.0° |
H1A | C10 | O11 | H11 | 59.9° | 60.0° |
H2A | C10 | C09 | H10 | 69.1° | 55.0° |
H2A | C10 | O11 | H11 | 59.8° | 60.1° |
H61 | C6 | C5 | H5 | 64.7° | 65.1° |
H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
H62 | C6 | C5 | H5 | 55.4° | 175.0° |
H62 | C6 | O6 | HO6 | 60.1° | 60.0° |
H5 | C5 | C4 | H4 | 162.5° | 177.7° |
H4 | C4 | C3 | H3 | 176.3° | 177.2° |
H4 | C4 | O4 | HO4 | 61.1° | 59.9° |
H3 | C3 | C2 | H2 | 173.9° | 177.1° |
H3 | C3 | O3 | HO3 | 62.8° | 59.8° |
H2 | C2 | C1 | H1 | 57.8° | 57.7° |
H2 | C2 | O2 | HO2 | 62.6° | 59.9° |