9UZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.21Å | 1.22Å | |
C02 | N03 | sing | 1.34Å | 1.32Å | |
C02 | C08 | sing | 1.51Å | 1.50Å | |
N03 | C04 | sing | 1.34Å | 1.31Å | |
C08 | C07 | sing | 1.53Å | 1.51Å | |
O05 | C04 | doub | 1.21Å | 1.23Å | |
C04 | C06 | sing | 1.51Å | 1.52Å | |
C07 | C06 | sing | 1.53Å | 1.53Å | |
N03 | H1 | sing | 0.97Å | 1.00Å | |
C06 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | N03 | 118.7° | 119.4° |
O01 | C02 | C08 | 120.5° | 119.3° |
N03 | C02 | C08 | 120.8° | 121.3° |
C02 | N03 | C04 | 127.9° | 122.6° |
C02 | N03 | H1 | 116.1° | 118.8° |
C02 | C08 | C07 | 112.2° | 109.1° |
C02 | C08 | H6 | 108.8° | 109.4° |
C02 | C08 | H7 | 108.8° | 109.8° |
N03 | C04 | O05 | 118.7° | 119.4° |
N03 | C04 | C06 | 118.0° | 121.3° |
C04 | N03 | H1 | 116.0° | 118.7° |
C08 | C07 | C06 | 113.5° | 108.5° |
C08 | C07 | H4 | 108.5° | 109.7° |
C08 | C07 | H5 | 108.5° | 109.8° |
C07 | C08 | H6 | 108.8° | 109.5° |
C07 | C08 | H7 | 108.8° | 109.5° |
O05 | C04 | C06 | 123.3° | 119.4° |
C04 | C06 | C07 | 112.1° | 109.2° |
C04 | C06 | H2 | 108.8° | 109.5° |
C04 | C06 | H3 | 108.8° | 109.5° |
C07 | C06 | H2 | 108.8° | 109.6° |
C07 | C06 | H3 | 108.8° | 109.5° |
C06 | C07 | H4 | 108.5° | 109.6° |
C06 | C07 | H5 | 108.5° | 109.6° |
H2 | C06 | H3 | 109.5° | 109.5° |
H4 | C07 | H5 | 109.4° | 109.7° |
H6 | C08 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | N03 | C08 | 179.7° | 179.9° |
O01 | C02 | N03 | C04 | 170.3° | 179.5° |
O01 | C02 | C08 | C07 | 167.2° | 150.7° |
O01 | C02 | N03 | H1 | 9.7° | 0.5° |
O01 | C02 | C08 | H6 | 72.4° | 31.0° |
O01 | C02 | C08 | H7 | 46.7° | 89.2° |
C02 | N03 | C04 | H1 | 180.0° | 179.9° |
N03 | C02 | C08 | C07 | 12.5° | 29.4° |
C02 | N03 | C04 | O05 | 175.4° | 179.4° |
C02 | N03 | C04 | C06 | 3.6° | 0.2° |
N03 | C02 | C08 | H6 | 107.9° | 149.1° |
N03 | C02 | C08 | H7 | 132.9° | 90.7° |
C08 | C02 | N03 | C04 | 10.0° | 0.6° |
C02 | C08 | C07 | H6 | 120.4° | 119.7° |
C02 | C08 | C07 | H7 | 120.4° | 120.3° |
C02 | C08 | C07 | C06 | 38.5° | 55.8° |
C08 | C02 | N03 | H1 | 170.0° | 179.4° |
C02 | C08 | C07 | H4 | 159.1° | 63.8° |
C02 | C08 | C07 | H5 | 82.1° | 175.6° |
C02 | C08 | H6 | H7 | 118.8° | 120.4° |
N03 | C04 | O05 | C06 | 178.9° | 179.7° |
N03 | C04 | C06 | C07 | 24.0° | 28.8° |
N03 | C04 | C06 | H2 | 144.4° | 148.7° |
N03 | C04 | C06 | H3 | 96.4° | 91.1° |
C08 | C07 | C06 | C04 | 44.3° | 55.6° |
C08 | C07 | C06 | H4 | 120.6° | 119.7° |
C08 | C07 | C06 | H5 | 120.6° | 119.9° |
C08 | C07 | C06 | H2 | 164.7° | 175.5° |
C08 | C07 | C06 | H3 | 76.1° | 64.3° |
C08 | C07 | H4 | H5 | 118.1° | 120.7° |
C07 | C08 | H6 | H7 | 118.8° | 120.1° |
O05 | C04 | C06 | C07 | 157.0° | 150.9° |
O05 | C04 | N03 | H1 | 4.6° | 0.6° |
O05 | C04 | C06 | H2 | 36.7° | 31.0° |
O05 | C04 | C06 | H3 | 82.6° | 89.2° |
C04 | C06 | C07 | H2 | 120.4° | 119.9° |
C04 | C06 | C07 | H3 | 120.4° | 119.9° |
C06 | C04 | N03 | H1 | 176.4° | 179.7° |
C04 | C06 | H2 | H3 | 118.8° | 120.1° |
C04 | C06 | C07 | H4 | 165.0° | 64.1° |
C04 | C06 | C07 | H5 | 76.3° | 175.5° |
C07 | C06 | H2 | H3 | 118.8° | 120.2° |
C06 | C07 | H4 | H5 | 118.1° | 120.3° |
C06 | C07 | C08 | H6 | 81.9° | 175.6° |
C06 | C07 | C08 | H7 | 158.9° | 64.4° |
H2 | C06 | C07 | H4 | 74.6° | 55.8° |
H2 | C06 | C07 | H5 | 44.1° | 64.5° |
H3 | C06 | C07 | H4 | 44.6° | 176.0° |
H3 | C06 | C07 | H5 | 163.3° | 55.6° |
H4 | C07 | C08 | H6 | 38.7° | 55.9° |
H4 | C07 | C08 | H7 | 80.5° | 175.9° |
H5 | C07 | C08 | H6 | 157.4° | 64.6° |
H5 | C07 | C08 | H7 | 38.3° | 55.4° |