OW8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | C03 | doub | 1.22Å | 1.19Å | |
C03 | C04 | sing | 1.48Å | 1.52Å | |
C03 | N02 | sing | 1.35Å | 1.44Å | |
C01 | N02 | sing | 1.47Å | 1.45Å | |
C04 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
C04 | N11 | doub | 1.32Å | 1.31Å | Aromatic |
C06 | C05 | sing | 1.51Å | 1.41Å | |
C06 | C07 | sing | 1.54Å | 1.41Å | |
C05 | C09 | doub | 1.35Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.54Å | 1.40Å | |
N11 | N10 | sing | 1.28Å | 1.33Å | Aromatic |
C09 | N10 | sing | 1.35Å | 1.34Å | Aromatic |
C09 | C08 | sing | 1.51Å | 1.42Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C06 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
N02 | H10 | sing | 0.97Å | 1.00Å | |
N10 | H11 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | C03 | C04 | 121.8° | 120.0° |
O12 | C03 | N02 | 121.6° | 120.0° |
C04 | C03 | N02 | 116.6° | 120.1° |
C03 | C04 | C05 | 126.8° | 126.6° |
C03 | C04 | N11 | 124.9° | 126.5° |
C03 | N02 | C01 | 119.1° | 120.1° |
C03 | N02 | H10 | 120.4° | 120.0° |
N02 | C01 | H1 | 109.5° | 109.5° |
N02 | C01 | H2 | 109.5° | 109.4° |
N02 | C01 | H3 | 109.5° | 109.5° |
C01 | N02 | H10 | 120.5° | 120.0° |
C05 | C04 | N11 | 108.3° | 106.9° |
C04 | C05 | C06 | 147.8° | 143.7° |
C04 | C05 | C09 | 104.5° | 105.8° |
C04 | N11 | N10 | 109.1° | 110.0° |
C05 | C06 | C07 | 107.1° | 105.0° |
C06 | C05 | C09 | 107.7° | 110.5° |
C05 | C06 | H4 | 110.1° | 110.3° |
C05 | C06 | H5 | 110.1° | 110.4° |
C06 | C07 | C08 | 106.9° | 102.0° |
C07 | C06 | H4 | 110.0° | 110.3° |
C07 | C06 | H5 | 110.0° | 110.3° |
C06 | C07 | H6 | 110.1° | 111.0° |
C06 | C07 | H7 | 110.1° | 111.0° |
C05 | C09 | N10 | 107.0° | 107.1° |
C05 | C09 | C08 | 107.8° | 110.1° |
C07 | C08 | C09 | 107.0° | 105.0° |
C08 | C07 | H6 | 110.1° | 110.9° |
C08 | C07 | H7 | 110.1° | 110.9° |
C07 | C08 | H8 | 110.1° | 110.4° |
C07 | C08 | H9 | 110.1° | 110.4° |
N11 | N10 | C09 | 111.1° | 110.3° |
N11 | N10 | H11 | 124.4° | 124.9° |
N10 | C09 | C08 | 145.3° | 142.8° |
C09 | N10 | H11 | 124.4° | 124.9° |
C09 | C08 | H8 | 110.1° | 110.3° |
C09 | C08 | H9 | 110.1° | 110.4° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.6° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C06 | H5 | 109.5° | 110.4° |
H6 | C07 | H7 | 109.5° | 110.8° |
H8 | C08 | H9 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C03 | C04 | N02 | 179.4° | 180.0° |
O12 | C03 | N02 | C01 | 1.0° | 0.0° |
O12 | C03 | C04 | C05 | 28.1° | 0.0° |
O12 | C03 | C04 | N11 | 152.5° | 179.7° |
O12 | C03 | N02 | H10 | 178.9° | 179.9° |
C04 | C03 | N02 | C01 | 179.5° | 180.0° |
C03 | C04 | C05 | N11 | 179.5° | 179.7° |
C03 | C04 | C05 | C06 | 0.4° | 0.1° |
C03 | C04 | C05 | C09 | 179.7° | 180.0° |
C03 | C04 | N11 | N10 | 179.9° | 179.9° |
C04 | C03 | N02 | H10 | 0.5° | 0.1° |
C03 | N02 | C01 | H10 | 180.0° | 179.9° |
N02 | C03 | C04 | C05 | 152.4° | 180.0° |
N02 | C03 | C04 | N11 | 27.0° | 0.3° |
C03 | N02 | C01 | H1 | 180.0° | 180.0° |
C03 | N02 | C01 | H2 | 60.0° | 60.1° |
C03 | N02 | C01 | H3 | 60.0° | 59.9° |
N02 | C01 | H1 | H2 | 120.0° | 119.9° |
N02 | C01 | H1 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H3 | 120.0° | 119.9° |
C04 | C05 | C06 | C09 | 179.9° | 179.9° |
C04 | C05 | C06 | C07 | 168.4° | 163.2° |
C05 | C04 | N11 | N10 | 0.4° | 0.4° |
C04 | C05 | C09 | N10 | 0.0° | 0.0° |
C04 | C05 | C09 | C08 | 179.7° | 180.0° |
C04 | C05 | C06 | H4 | 72.0° | 78.0° |
C04 | C05 | C06 | H5 | 48.8° | 44.3° |
N11 | C04 | C05 | C06 | 179.9° | 179.7° |
N11 | C04 | C05 | C09 | 0.2° | 0.2° |
C04 | N11 | N10 | C09 | 0.4° | 0.4° |
C04 | N11 | N10 | H11 | 179.6° | 179.9° |
C05 | C06 | C07 | H4 | 119.6° | 118.8° |
C05 | C06 | C07 | H5 | 119.6° | 118.9° |
C05 | C06 | C07 | C08 | 18.4° | 25.5° |
C06 | C05 | C09 | N10 | 179.9° | 180.0° |
C06 | C05 | C09 | C08 | 0.2° | 0.1° |
C05 | C06 | H4 | H5 | 121.1° | 122.3° |
C05 | C06 | C07 | H6 | 138.0° | 143.6° |
C05 | C06 | C07 | H7 | 101.2° | 92.7° |
C07 | C06 | C05 | C09 | 11.5° | 16.7° |
C06 | C07 | C08 | H6 | 119.6° | 118.2° |
C06 | C07 | C08 | H7 | 119.6° | 118.2° |
C06 | C07 | C08 | C09 | 18.2° | 25.5° |
C07 | C06 | H4 | H5 | 121.1° | 122.2° |
C06 | C07 | H6 | H7 | 121.2° | 123.8° |
C06 | C07 | C08 | H8 | 101.4° | 93.4° |
C06 | C07 | C08 | H9 | 137.8° | 144.5° |
C05 | C09 | C08 | C07 | 11.2° | 16.9° |
C05 | C09 | N10 | N11 | 0.3° | 0.3° |
C05 | C09 | N10 | C08 | 179.5° | 179.9° |
C09 | C05 | C06 | H4 | 108.1° | 102.1° |
C09 | C05 | C06 | H5 | 131.1° | 135.6° |
C05 | C09 | C08 | H8 | 108.4° | 102.1° |
C05 | C09 | C08 | H9 | 130.8° | 135.8° |
C05 | C09 | N10 | H11 | 179.8° | 180.0° |
C07 | C08 | C09 | N10 | 168.3° | 163.2° |
C07 | C08 | C09 | H8 | 119.6° | 118.9° |
C07 | C08 | C09 | H9 | 119.6° | 118.9° |
C08 | C07 | C06 | H4 | 101.2° | 93.3° |
C08 | C07 | C06 | H5 | 138.0° | 144.4° |
C08 | C07 | H6 | H7 | 121.2° | 123.6° |
C07 | C08 | H8 | H9 | 121.1° | 122.2° |
N11 | N10 | C09 | H11 | 180.0° | 179.7° |
N11 | N10 | C09 | C08 | 179.7° | 179.8° |
N10 | C09 | C08 | H8 | 72.1° | 77.9° |
N10 | C09 | C08 | H9 | 48.7° | 44.3° |
C09 | C08 | C07 | H6 | 137.8° | 143.7° |
C09 | C08 | C07 | H7 | 101.4° | 92.7° |
C09 | C08 | H8 | H9 | 121.1° | 122.2° |
C08 | C09 | N10 | H11 | 0.3° | 0.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H1 | C01 | N02 | H10 | 0.0° | 0.1° |
H2 | C01 | N02 | H10 | 120.0° | 120.0° |
H3 | C01 | N02 | H10 | 120.0° | 120.0° |
H4 | C06 | C07 | H6 | 18.4° | 24.8° |
H4 | C06 | C07 | H7 | 139.2° | 148.5° |
H5 | C06 | C07 | H6 | 102.4° | 97.5° |
H5 | C06 | C07 | H7 | 18.4° | 26.2° |
H6 | C07 | C08 | H8 | 18.2° | 24.9° |
H6 | C07 | C08 | H9 | 102.6° | 97.3° |
H7 | C07 | C08 | H8 | 139.0° | 148.4° |
H7 | C07 | C08 | H9 | 18.3° | 26.3° |