1LX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C06 | N07 | sing | 1.34Å | 1.33Å | Aromatic |
C06 | C05 | doub | 1.35Å | 1.41Å | Aromatic |
N07 | C08 | doub | 1.33Å | 1.34Å | Aromatic |
C05 | N04 | sing | 1.37Å | 1.38Å | Aromatic |
C08 | N04 | sing | 1.37Å | 1.33Å | Aromatic |
C08 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
N04 | C03 | sing | 1.37Å | 1.36Å | Aromatic |
C09 | C01 | doub | 1.36Å | 1.38Å | Aromatic |
C03 | N10 | sing | 1.38Å | 1.40Å | |
C03 | C02 | doub | 1.36Å | 1.36Å | Aromatic |
C01 | C02 | sing | 1.40Å | 1.36Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
N10 | H6 | sing | 0.97Å | 1.00Å | |
N10 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N07 | C06 | C05 | 108.5° | 108.7° |
C06 | N07 | C08 | 108.6° | 109.2° |
N07 | C06 | H4 | 125.7° | 125.7° |
C06 | C05 | N04 | 104.5° | 107.2° |
C06 | C05 | H3 | 127.8° | 126.4° |
C05 | C06 | H4 | 125.7° | 125.6° |
N07 | C08 | N04 | 109.1° | 108.0° |
N07 | C08 | C09 | 130.6° | 132.3° |
C05 | N04 | C08 | 109.1° | 107.0° |
C05 | N04 | C03 | 129.4° | 132.6° |
N04 | C05 | H3 | 127.8° | 126.4° |
N04 | C08 | C09 | 120.3° | 119.7° |
C08 | N04 | C03 | 121.4° | 120.4° |
C08 | C09 | C01 | 117.0° | 119.5° |
C08 | C09 | H5 | 121.5° | 120.3° |
N04 | C03 | N10 | 116.8° | 119.8° |
N04 | C03 | C02 | 120.5° | 120.4° |
C09 | C01 | C02 | 122.3° | 119.8° |
C09 | C01 | H1 | 118.8° | 120.1° |
C01 | C09 | H5 | 121.5° | 120.2° |
N10 | C03 | C02 | 122.6° | 119.8° |
C03 | N10 | H6 | 109.5° | 120.0° |
C03 | N10 | H7 | 109.5° | 120.0° |
C03 | C02 | C01 | 118.4° | 120.2° |
C03 | C02 | H2 | 120.8° | 119.9° |
C02 | C01 | H1 | 118.8° | 120.1° |
C01 | C02 | H2 | 120.8° | 119.9° |
H6 | N10 | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N07 | C06 | C05 | H4 | 180.0° | 180.0° |
N07 | C06 | C05 | N04 | 0.5° | 0.0° |
C06 | N07 | C08 | N04 | 3.6° | 0.0° |
C06 | N07 | C08 | C09 | 178.2° | 179.7° |
N07 | C06 | C05 | H3 | 179.6° | 180.0° |
C05 | C06 | N07 | C08 | 1.9° | 0.0° |
C06 | C05 | N04 | H3 | 180.0° | 180.0° |
C06 | C05 | N04 | C08 | 2.7° | 0.0° |
C06 | C05 | N04 | C03 | 178.9° | 180.0° |
N07 | C08 | N04 | C05 | 3.9° | 0.0° |
N07 | C08 | N04 | C09 | 178.4° | 179.7° |
N07 | C08 | N04 | C03 | 177.4° | 180.0° |
N07 | C08 | C09 | C01 | 179.6° | 179.8° |
C08 | N07 | C06 | H4 | 178.1° | 180.0° |
N07 | C08 | C09 | H5 | 0.4° | 0.1° |
C05 | N04 | C08 | C03 | 178.6° | 180.0° |
C05 | N04 | C08 | C09 | 177.7° | 179.8° |
C05 | N04 | C03 | N10 | 4.5° | 0.0° |
C05 | N04 | C03 | C02 | 176.8° | 180.0° |
N04 | C05 | C06 | H4 | 179.5° | 180.0° |
N04 | C08 | C09 | C01 | 1.6° | 0.6° |
C08 | N04 | C03 | N10 | 177.1° | 180.0° |
C08 | N04 | C03 | C02 | 1.5° | 0.0° |
C08 | N04 | C05 | H3 | 177.4° | 180.0° |
N04 | C08 | C09 | H5 | 178.5° | 179.7° |
C09 | C08 | N04 | C03 | 1.0° | 0.3° |
C08 | C09 | C01 | H5 | 180.0° | 179.7° |
C08 | C09 | C01 | C02 | 3.7° | 0.6° |
C08 | C09 | C01 | H1 | 176.3° | 179.7° |
N04 | C03 | N10 | C02 | 178.7° | 180.0° |
N04 | C03 | C02 | C01 | 0.5° | 0.0° |
N04 | C03 | C02 | H2 | 179.5° | 179.9° |
C03 | N04 | C05 | H3 | 1.1° | 0.1° |
N04 | C03 | N10 | H6 | 180.0° | 180.0° |
N04 | C03 | N10 | H7 | 60.0° | 0.0° |
C09 | C01 | C02 | C03 | 3.2° | 0.3° |
C09 | C01 | C02 | H1 | 180.0° | 179.7° |
C09 | C01 | C02 | H2 | 176.8° | 179.8° |
N10 | C03 | C02 | C01 | 179.1° | 180.0° |
N10 | C03 | C02 | H2 | 0.9° | 0.1° |
C03 | N10 | H6 | H7 | 120.0° | 180.0° |
C03 | C02 | C01 | H2 | 180.0° | 179.9° |
C03 | C02 | C01 | H1 | 176.8° | 180.0° |
C02 | C03 | N10 | H6 | 1.4° | 0.0° |
C02 | C03 | N10 | H7 | 118.6° | 180.0° |
C02 | C01 | C09 | H5 | 176.4° | 179.7° |
H1 | C01 | C02 | H2 | 3.2° | 0.0° |
H1 | C01 | C09 | H5 | 3.7° | 0.0° |
H3 | C05 | C06 | H4 | 0.4° | 0.0° |