YXU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
C08 | C09 | doub | 1.34Å | 1.39Å | Aromatic |
N07 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
C09 | C10 | sing | 1.46Å | 1.42Å | Aromatic |
C06 | C10 | doub | 1.41Å | 1.36Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
C10 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
N11 | C03 | doub | 1.32Å | 1.34Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
C03 | O02 | sing | 1.36Å | 1.41Å | |
O02 | C01 | sing | 1.43Å | 1.40Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
N07 | H6 | sing | 0.97Å | 1.00Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
C09 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N07 | C08 | C09 | 108.4° | 109.9° |
C08 | N07 | C06 | 110.1° | 109.7° |
C08 | N07 | H6 | 125.0° | 125.1° |
N07 | C08 | H7 | 125.8° | 125.0° |
C08 | C09 | C10 | 106.5° | 107.1° |
C09 | C08 | H7 | 125.8° | 125.0° |
C08 | C09 | H8 | 126.8° | 126.4° |
N07 | C06 | C10 | 108.6° | 107.3° |
N07 | C06 | C05 | 131.7° | 133.6° |
C06 | N07 | H6 | 125.0° | 125.1° |
C09 | C10 | C06 | 106.5° | 105.9° |
C09 | C10 | N11 | 133.2° | 133.6° |
C10 | C09 | H8 | 126.8° | 126.5° |
C10 | C06 | C05 | 119.7° | 119.1° |
C06 | C10 | N11 | 120.3° | 120.5° |
C06 | C05 | C04 | 118.6° | 118.4° |
C06 | C05 | H5 | 120.7° | 120.8° |
C10 | N11 | C03 | 121.7° | 121.3° |
C05 | C04 | C03 | 119.0° | 119.6° |
C05 | C04 | H4 | 120.5° | 120.2° |
C04 | C05 | H5 | 120.7° | 120.8° |
N11 | C03 | C04 | 120.7° | 121.1° |
N11 | C03 | O02 | 122.5° | 119.4° |
C04 | C03 | O02 | 116.7° | 119.5° |
C03 | C04 | H4 | 120.6° | 120.1° |
C03 | O02 | C01 | 119.3° | 117.0° |
O02 | C01 | H1 | 109.5° | 109.5° |
O02 | C01 | H2 | 109.5° | 109.5° |
O02 | C01 | H3 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N07 | C08 | C09 | H7 | 180.0° | 179.8° |
C08 | N07 | C06 | H6 | 180.0° | 180.0° |
N07 | C08 | C09 | C10 | 0.6° | 0.3° |
C08 | N07 | C06 | C10 | 0.1° | 0.0° |
C08 | N07 | C06 | C05 | 179.3° | 179.9° |
N07 | C08 | C09 | H8 | 179.4° | 179.9° |
C09 | C08 | N07 | C06 | 0.4° | 0.2° |
C08 | C09 | C10 | H8 | 180.0° | 179.6° |
C08 | C09 | C10 | C06 | 0.6° | 0.3° |
C08 | C09 | C10 | N11 | 179.1° | 179.9° |
C09 | C08 | N07 | H6 | 179.6° | 179.8° |
N07 | C06 | C10 | C09 | 0.3° | 0.2° |
N07 | C06 | C10 | C05 | 179.3° | 179.9° |
N07 | C06 | C10 | N11 | 179.1° | 180.0° |
N07 | C06 | C05 | C04 | 179.9° | 180.0° |
N07 | C06 | C05 | H5 | 0.1° | 0.1° |
C06 | N07 | C08 | H7 | 179.6° | 179.9° |
C09 | C10 | C06 | N11 | 178.7° | 179.8° |
C09 | C10 | C06 | C05 | 179.0° | 179.7° |
C09 | C10 | N11 | C03 | 179.5° | 179.7° |
C10 | C09 | C08 | H7 | 179.4° | 179.8° |
C10 | C06 | C05 | C04 | 1.0° | 0.1° |
C06 | C10 | N11 | C03 | 2.2° | 0.1° |
C10 | C06 | C05 | H5 | 179.0° | 180.0° |
C10 | C06 | N07 | H6 | 179.9° | 180.0° |
C06 | C10 | C09 | H8 | 179.4° | 179.9° |
C05 | C06 | C10 | N11 | 0.3° | 0.1° |
C06 | C05 | C04 | H5 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.4° | 0.0° |
C06 | C05 | C04 | H4 | 179.6° | 179.9° |
C05 | C06 | N07 | H6 | 0.7° | 0.1° |
C10 | N11 | C03 | C04 | 2.8° | 0.0° |
C10 | N11 | C03 | O02 | 179.3° | 179.9° |
N11 | C10 | C09 | H8 | 0.9° | 0.3° |
C05 | C04 | C03 | N11 | 1.4° | 0.0° |
C05 | C04 | C03 | H4 | 180.0° | 180.0° |
C05 | C04 | C03 | O02 | 178.2° | 180.0° |
N11 | C03 | C04 | O02 | 176.8° | 180.0° |
N11 | C03 | O02 | C01 | 19.4° | 0.1° |
N11 | C03 | C04 | H4 | 178.6° | 180.0° |
C04 | C03 | O02 | C01 | 163.9° | 180.0° |
C03 | C04 | C05 | H5 | 179.6° | 180.0° |
C03 | O02 | C01 | H1 | 180.0° | 60.0° |
C03 | O02 | C01 | H2 | 60.0° | 60.1° |
C03 | O02 | C01 | H3 | 60.0° | 180.0° |
O02 | C03 | C04 | H4 | 1.8° | 0.1° |
O02 | C01 | H1 | H2 | 120.0° | 120.0° |
O02 | C01 | H1 | H3 | 120.0° | 120.0° |
O02 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H4 | C04 | C05 | H5 | 0.4° | 0.0° |
H6 | N07 | C08 | H7 | 0.4° | 0.1° |
H7 | C08 | C09 | H8 | 0.6° | 0.2° |