UHL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N09 | C08 | sing | 1.38Å | 1.45Å | |
N07 | C08 | doub | 1.31Å | 1.32Å | Aromatic |
N07 | N06 | sing | 1.29Å | 1.36Å | Aromatic |
C08 | O10 | sing | 1.35Å | 1.34Å | Aromatic |
N06 | C05 | doub | 1.30Å | 1.32Å | Aromatic |
O10 | C05 | sing | 1.35Å | 1.34Å | Aromatic |
C05 | C04 | sing | 1.51Å | 1.52Å | |
O02 | C01 | sing | 1.43Å | 1.40Å | |
O02 | C03 | sing | 1.43Å | 1.40Å | |
C04 | C03 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
N09 | H8 | sing | 0.97Å | 1.00Å | |
N09 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N09 | C08 | N07 | 125.3° | 126.4° |
N09 | C08 | O10 | 126.7° | 126.3° |
C08 | N09 | H8 | 109.5° | 120.1° |
C08 | N09 | H9 | 109.5° | 119.9° |
C08 | N07 | N06 | 108.4° | 109.3° |
N07 | C08 | O10 | 108.1° | 107.3° |
N07 | N06 | C05 | 107.1° | 109.6° |
C08 | O10 | C05 | 107.5° | 106.3° |
N06 | C05 | O10 | 108.9° | 107.6° |
N06 | C05 | C04 | 124.4° | 126.2° |
O10 | C05 | C04 | 126.7° | 126.2° |
C05 | C04 | C03 | 109.4° | 109.4° |
C05 | C04 | H6 | 109.5° | 109.5° |
C05 | C04 | H7 | 109.5° | 109.5° |
C01 | O02 | C03 | 114.1° | 114.0° |
O02 | C01 | H1 | 109.5° | 109.5° |
O02 | C01 | H2 | 109.5° | 109.5° |
O02 | C01 | H3 | 109.5° | 109.4° |
O02 | C03 | C04 | 108.7° | 109.5° |
O02 | C03 | H4 | 109.7° | 109.4° |
O02 | C03 | H5 | 109.7° | 109.5° |
C04 | C03 | H4 | 109.7° | 109.5° |
C04 | C03 | H5 | 109.7° | 109.5° |
C03 | C04 | H6 | 109.5° | 109.4° |
C03 | C04 | H7 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C03 | H5 | 109.5° | 109.5° |
H6 | C04 | H7 | 109.5° | 109.5° |
H8 | N09 | H9 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N09 | C08 | N07 | O10 | 179.9° | 179.6° |
N09 | C08 | N07 | N06 | 180.0° | 179.9° |
N09 | C08 | O10 | C05 | 179.9° | 180.0° |
C08 | N09 | H8 | H9 | 120.0° | 179.9° |
C08 | N07 | N06 | C05 | 0.0° | 0.0° |
N07 | C08 | O10 | C05 | 0.2° | 0.4° |
N07 | C08 | N09 | H8 | 0.0° | 179.6° |
N07 | C08 | N09 | H9 | 120.0° | 0.5° |
N06 | N07 | C08 | O10 | 0.1° | 0.2° |
N07 | N06 | C05 | O10 | 0.1° | 0.2° |
N07 | N06 | C05 | C04 | 179.9° | 180.0° |
C08 | O10 | C05 | N06 | 0.2° | 0.4° |
C08 | O10 | C05 | C04 | 179.8° | 179.9° |
O10 | C08 | N09 | H8 | 179.9° | 0.0° |
O10 | C08 | N09 | H9 | 59.8° | 179.9° |
N06 | C05 | O10 | C04 | 180.0° | 179.7° |
N06 | C05 | C04 | C03 | 16.9° | 90.0° |
N06 | C05 | C04 | H6 | 103.1° | 29.9° |
N06 | C05 | C04 | H7 | 136.8° | 150.0° |
O10 | C05 | C04 | C03 | 163.1° | 90.3° |
O10 | C05 | C04 | H6 | 76.9° | 149.8° |
O10 | C05 | C04 | H7 | 43.2° | 29.7° |
C05 | C04 | C03 | O02 | 109.6° | 180.0° |
C05 | C04 | C03 | H6 | 120.0° | 120.0° |
C05 | C04 | C03 | H7 | 120.0° | 120.0° |
C05 | C04 | C03 | H4 | 10.3° | 60.0° |
C05 | C04 | C03 | H5 | 130.5° | 60.0° |
C05 | C04 | H6 | H7 | 120.0° | 120.1° |
C01 | O02 | C03 | C04 | 157.2° | 179.9° |
O02 | C01 | H1 | H2 | 120.0° | 120.0° |
O02 | C01 | H1 | H3 | 120.0° | 120.0° |
O02 | C01 | H2 | H3 | 120.0° | 119.9° |
C01 | O02 | C03 | H4 | 82.9° | 60.1° |
C01 | O02 | C03 | H5 | 37.3° | 59.9° |
O02 | C03 | C04 | H4 | 119.9° | 120.0° |
O02 | C03 | C04 | H5 | 119.9° | 120.0° |
C03 | O02 | C01 | H1 | 180.0° | 59.9° |
C03 | O02 | C01 | H2 | 60.0° | 180.0° |
C03 | O02 | C01 | H3 | 60.0° | 60.1° |
O02 | C03 | H4 | H5 | 120.3° | 120.0° |
O02 | C03 | C04 | H6 | 10.4° | 60.0° |
O02 | C03 | C04 | H7 | 130.4° | 60.0° |
C04 | C03 | H4 | H5 | 120.4° | 120.0° |
C03 | C04 | H6 | H7 | 120.1° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | C04 | H6 | 130.3° | 60.0° |
H4 | C03 | C04 | H7 | 109.7° | 180.0° |
H5 | C03 | C04 | H6 | 109.5° | 180.0° |
H5 | C03 | C04 | H7 | 10.6° | 60.0° |