1LZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C10 | sing | 1.43Å | 1.41Å | |
C10 | C08 | sing | 1.51Å | 1.47Å | |
C07 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
C07 | N06 | sing | 1.32Å | 1.33Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.45Å | Aromatic |
N06 | C05 | doub | 1.33Å | 1.37Å | Aromatic |
C09 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
C05 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
C05 | C01 | sing | 1.46Å | 1.41Å | Aromatic |
C04 | N03 | sing | 1.38Å | 1.35Å | Aromatic |
C01 | C02 | doub | 1.34Å | 1.41Å | Aromatic |
N03 | C02 | sing | 1.37Å | 1.35Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
N03 | H3 | sing | 0.97Å | 1.00Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
O11 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C10 | C08 | 116.2° | 109.5° |
O11 | C10 | H6 | 107.8° | 109.5° |
O11 | C10 | H7 | 107.8° | 109.5° |
C10 | O11 | H8 | 109.5° | 114.0° |
C10 | C08 | C07 | 120.3° | 120.2° |
C10 | C08 | C09 | 119.9° | 120.2° |
C08 | C10 | H6 | 107.8° | 109.4° |
C08 | C10 | H7 | 107.8° | 109.4° |
C08 | C07 | N06 | 120.6° | 121.3° |
C07 | C08 | C09 | 119.8° | 119.7° |
C08 | C07 | H4 | 119.7° | 119.4° |
C07 | N06 | C05 | 121.1° | 121.4° |
N06 | C07 | H4 | 119.7° | 119.4° |
C08 | C09 | C04 | 118.4° | 118.3° |
C08 | C09 | H5 | 120.8° | 120.8° |
N06 | C05 | C04 | 121.1° | 120.4° |
N06 | C05 | C01 | 132.4° | 133.8° |
C09 | C04 | C05 | 119.0° | 119.0° |
C09 | C04 | N03 | 132.4° | 133.7° |
C04 | C09 | H5 | 120.8° | 120.9° |
C04 | C05 | C01 | 106.5° | 105.8° |
C05 | C04 | N03 | 108.6° | 107.3° |
C05 | C01 | C02 | 106.6° | 107.1° |
C05 | C01 | H1 | 126.7° | 126.4° |
C04 | N03 | C02 | 109.8° | 109.8° |
C04 | N03 | H3 | 125.1° | 125.1° |
C01 | C02 | N03 | 108.4° | 110.0° |
C02 | C01 | H1 | 126.7° | 126.5° |
C01 | C02 | H2 | 125.8° | 125.0° |
N03 | C02 | H2 | 125.8° | 125.0° |
C02 | N03 | H3 | 125.1° | 125.1° |
H6 | C10 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C10 | C08 | H6 | 121.0° | 120.0° |
O11 | C10 | C08 | H7 | 121.0° | 120.0° |
O11 | C10 | C08 | C07 | 93.2° | 90.0° |
O11 | C10 | C08 | C09 | 85.4° | 90.1° |
O11 | C10 | H6 | H7 | 117.0° | 120.0° |
C10 | C08 | C07 | C09 | 178.6° | 179.9° |
C10 | C08 | C07 | N06 | 178.7° | 180.0° |
C10 | C08 | C09 | C04 | 178.9° | 179.8° |
C10 | C08 | C07 | H4 | 1.3° | 0.2° |
C10 | C08 | C09 | H5 | 1.1° | 0.1° |
C08 | C10 | H6 | H7 | 116.9° | 119.9° |
C08 | C10 | O11 | H8 | 180.0° | 180.0° |
C08 | C07 | N06 | H4 | 180.0° | 179.8° |
C08 | C07 | N06 | C05 | 0.1° | 0.0° |
C07 | C08 | C09 | C04 | 0.3° | 0.3° |
C07 | C08 | C09 | H5 | 179.7° | 180.0° |
C07 | C08 | C10 | H6 | 27.8° | 150.0° |
C07 | C08 | C10 | H7 | 145.8° | 30.0° |
N06 | C07 | C08 | C09 | 0.1° | 0.2° |
C07 | N06 | C05 | C04 | 0.3° | 0.0° |
C07 | N06 | C05 | C01 | 179.9° | 179.6° |
C08 | C09 | C04 | H5 | 180.0° | 179.7° |
C08 | C09 | C04 | C05 | 0.5° | 0.3° |
C08 | C09 | C04 | N03 | 179.9° | 180.0° |
C09 | C08 | C07 | H4 | 179.8° | 179.9° |
C09 | C08 | C10 | H6 | 153.7° | 29.9° |
C09 | C08 | C10 | H7 | 35.6° | 149.9° |
N06 | C05 | C04 | C09 | 0.5° | 0.1° |
N06 | C05 | C04 | C01 | 179.7° | 179.8° |
N06 | C05 | C04 | N03 | 180.0° | 179.9° |
N06 | C05 | C01 | C02 | 180.0° | 180.0° |
N06 | C05 | C01 | H1 | 0.0° | 0.2° |
C05 | N06 | C07 | H4 | 179.9° | 179.7° |
C09 | C04 | C05 | N03 | 179.5° | 179.8° |
C09 | C04 | C05 | C01 | 179.8° | 179.9° |
C09 | C04 | N03 | C02 | 179.6° | 180.0° |
C09 | C04 | N03 | H3 | 0.4° | 0.1° |
C04 | C05 | C01 | C02 | 0.3° | 0.3° |
C05 | C04 | N03 | C02 | 0.2° | 0.3° |
C04 | C05 | C01 | H1 | 179.6° | 179.9° |
C05 | C04 | N03 | H3 | 179.8° | 179.8° |
C05 | C04 | C09 | H5 | 179.5° | 180.0° |
C01 | C05 | C04 | N03 | 0.3° | 0.4° |
C05 | C01 | C02 | H1 | 180.0° | 179.8° |
C05 | C01 | C02 | N03 | 0.3° | 0.2° |
C05 | C01 | C02 | H2 | 179.7° | 179.8° |
C04 | N03 | C02 | C01 | 0.1° | 0.1° |
C04 | N03 | C02 | H3 | 180.0° | 179.9° |
C04 | N03 | C02 | H2 | 179.9° | 180.0° |
N03 | C04 | C09 | H5 | 0.2° | 0.3° |
C01 | C02 | N03 | H2 | 180.0° | 180.0° |
C01 | C02 | N03 | H3 | 180.0° | 180.0° |
N03 | C02 | C01 | H1 | 179.7° | 180.0° |
H1 | C01 | C02 | H2 | 0.3° | 0.0° |
H2 | C02 | N03 | H3 | 0.0° | 0.1° |
H6 | C10 | O11 | H8 | 59.1° | 60.0° |
H7 | C10 | O11 | H8 | 59.0° | 60.0° |