WUG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C07 | sing | 1.51Å | 1.53Å | |
C07 | N09 | doub | 1.31Å | 1.32Å | Aromatic |
C07 | N06 | sing | 1.35Å | 1.32Å | Aromatic |
N09 | C02 | sing | 1.34Å | 1.31Å | Aromatic |
N06 | C03 | sing | 1.37Å | 1.32Å | Aromatic |
C02 | C03 | doub | 1.35Å | 1.38Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C03 | C04 | sing | 1.51Å | 1.52Å | |
N05 | C04 | sing | 1.47Å | 1.46Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
N05 | H6 | sing | 1.01Å | 1.00Å | |
N05 | H7 | sing | 1.01Å | 1.00Å | |
N06 | H9 | sing | 0.97Å | 1.00Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C08 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C07 | N09 | 124.3° | 125.7° |
C08 | C07 | N06 | 126.4° | 125.6° |
C07 | C08 | H10 | 109.5° | 109.5° |
C07 | C08 | H11 | 109.5° | 109.4° |
C07 | C08 | H12 | 109.5° | 109.4° |
N09 | C07 | N06 | 109.3° | 108.7° |
C07 | N09 | C02 | 109.3° | 109.3° |
C07 | N06 | C03 | 107.3° | 107.2° |
C07 | N06 | H9 | 126.4° | 126.4° |
N09 | C02 | C03 | 106.0° | 108.0° |
N09 | C02 | C01 | 125.7° | 126.0° |
N06 | C03 | C02 | 108.2° | 106.8° |
N06 | C03 | C04 | 126.2° | 126.6° |
C03 | N06 | H9 | 126.3° | 126.4° |
C03 | C02 | C01 | 128.2° | 126.0° |
C02 | C03 | C04 | 125.6° | 126.6° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C03 | C04 | N05 | 112.0° | 109.5° |
C03 | C04 | H4 | 108.8° | 109.4° |
C03 | C04 | H5 | 108.8° | 109.4° |
N05 | C04 | H4 | 108.8° | 109.5° |
N05 | C04 | H5 | 108.8° | 109.5° |
C04 | N05 | H6 | 109.5° | 111.0° |
C04 | N05 | H7 | 109.4° | 111.0° |
H1 | C01 | H2 | 109.4° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C04 | H5 | 109.4° | 109.5° |
H6 | N05 | H7 | 109.5° | 111.1° |
H10 | C08 | H11 | 109.5° | 109.5° |
H10 | C08 | H12 | 109.5° | 109.5° |
H11 | C08 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C07 | N09 | N06 | 179.8° | 179.6° |
C08 | C07 | N09 | C02 | 179.8° | 179.9° |
C08 | C07 | N06 | C03 | 179.3° | 179.9° |
C08 | C07 | N06 | H9 | 0.7° | 0.1° |
C07 | C08 | H10 | H11 | 120.0° | 120.0° |
C07 | C08 | H10 | H12 | 120.0° | 119.9° |
C07 | C08 | H11 | H12 | 120.0° | 119.9° |
N09 | C07 | N06 | C03 | 0.5° | 0.3° |
C07 | N09 | C02 | C03 | 0.4° | 0.4° |
C07 | N09 | C02 | C01 | 177.8° | 179.9° |
N09 | C07 | N06 | H9 | 179.5° | 179.8° |
N09 | C07 | C08 | H10 | 0.0° | 90.0° |
N09 | C07 | C08 | H11 | 120.0° | 149.9° |
N09 | C07 | C08 | H12 | 120.0° | 30.0° |
N06 | C07 | N09 | C02 | 0.0° | 0.4° |
C07 | N06 | C03 | H9 | 180.0° | 180.0° |
C07 | N06 | C03 | C02 | 0.7° | 0.0° |
C07 | N06 | C03 | C04 | 177.7° | 179.9° |
N06 | C07 | C08 | H10 | 179.8° | 90.4° |
N06 | C07 | C08 | H11 | 60.2° | 29.6° |
N06 | C07 | C08 | H12 | 59.8° | 149.6° |
N09 | C02 | C03 | N06 | 0.7° | 0.2° |
N09 | C02 | C03 | C01 | 177.3° | 179.7° |
N09 | C02 | C03 | C04 | 177.8° | 179.7° |
N09 | C02 | C01 | H1 | 0.0° | 90.3° |
N09 | C02 | C01 | H2 | 120.0° | 29.6° |
N09 | C02 | C01 | H3 | 120.0° | 149.6° |
N06 | C03 | C02 | C04 | 178.5° | 179.9° |
N06 | C03 | C02 | C01 | 178.0° | 179.9° |
N06 | C03 | C04 | N05 | 58.7° | 99.9° |
N06 | C03 | C04 | H4 | 61.7° | 20.1° |
N06 | C03 | C04 | H5 | 179.1° | 140.1° |
C02 | C03 | C04 | N05 | 119.5° | 80.0° |
C03 | C02 | C01 | H1 | 176.8° | 90.0° |
C03 | C02 | C01 | H2 | 56.8° | 150.1° |
C03 | C02 | C01 | H3 | 63.1° | 30.0° |
C02 | C03 | C04 | H4 | 120.1° | 160.0° |
C02 | C03 | C04 | H5 | 0.9° | 40.0° |
C02 | C03 | N06 | H9 | 179.3° | 180.0° |
C01 | C02 | C03 | C04 | 0.4° | 0.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.1° |
C03 | C04 | N05 | H4 | 120.4° | 120.0° |
C03 | C04 | N05 | H5 | 120.4° | 120.0° |
C03 | C04 | H4 | H5 | 118.8° | 119.9° |
C03 | C04 | N05 | H6 | 180.0° | 56.0° |
C03 | C04 | N05 | H7 | 60.0° | 179.9° |
C04 | C03 | N06 | H9 | 2.3° | 0.1° |
N05 | C04 | H4 | H5 | 118.8° | 120.1° |
C04 | N05 | H6 | H7 | 120.0° | 124.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C04 | N05 | H6 | 59.6° | 64.0° |
H4 | C04 | N05 | H7 | 179.6° | 60.1° |
H5 | C04 | N05 | H6 | 59.6° | 176.0° |
H5 | C04 | N05 | H7 | 60.4° | 60.0° |
H10 | C08 | H11 | H12 | 120.0° | 120.1° |