R2K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NA2 | O08 | sing | 1.99Å | 1.93Å | |
O08 | C02 | sing | 1.34Å | 1.41Å | |
C02 | O01 | doub | 1.21Å | 1.18Å | |
C02 | C03 | sing | 1.51Å | 1.53Å | |
C03 | C04 | sing | 1.51Å | 1.53Å | |
C04 | O07 | doub | 1.21Å | 1.19Å | |
C04 | O05 | sing | 1.34Å | 1.39Å | |
O05 | NA1 | sing | 1.99Å | 1.91Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NA2 | O08 | C02 | 179.1° | 117.0° |
O08 | C02 | O01 | 119.6° | 120.0° |
O08 | C02 | C03 | 121.5° | 120.0° |
O01 | C02 | C03 | 118.5° | 120.0° |
C02 | C03 | C04 | 113.1° | 109.5° |
C02 | C03 | H032 | 108.5° | 109.5° |
C02 | C03 | H031 | 108.6° | 109.5° |
C03 | C04 | O07 | 121.6° | 120.0° |
C03 | C04 | O05 | 117.6° | 120.0° |
C04 | C03 | H032 | 108.5° | 109.5° |
C04 | C03 | H031 | 108.5° | 109.5° |
O07 | C04 | O05 | 117.4° | 120.0° |
C04 | O05 | NA1 | 178.9° | 117.0° |
H032 | C03 | H031 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NA2 | O08 | C02 | O01 | 38.8° | 0.0° |
NA2 | O08 | C02 | C03 | 134.3° | 179.7° |
O08 | C02 | O01 | C03 | 173.3° | 179.8° |
O08 | C02 | C03 | C04 | 130.3° | 179.7° |
O08 | C02 | C03 | H032 | 109.2° | 60.2° |
O08 | C02 | C03 | H031 | 9.8° | 59.7° |
O01 | C02 | C03 | C04 | 56.5° | 0.0° |
O01 | C02 | C03 | H032 | 64.0° | 120.0° |
O01 | C02 | C03 | H031 | 177.0° | 120.0° |
C02 | C03 | C04 | H032 | 120.5° | 120.0° |
C02 | C03 | C04 | H031 | 120.5° | 120.0° |
C02 | C03 | C04 | O07 | 13.4° | 0.0° |
C02 | C03 | C04 | O05 | 145.3° | 179.9° |
C02 | C03 | H032 | H031 | 118.4° | 120.0° |
C03 | C04 | O07 | O05 | 158.7° | 180.0° |
C03 | C04 | O05 | NA1 | 60.4° | 180.0° |
C04 | C03 | H032 | H031 | 118.3° | 120.0° |
O07 | C04 | O05 | NA1 | 99.2° | 0.1° |
O07 | C04 | C03 | H032 | 107.1° | 120.0° |
O07 | C04 | C03 | H031 | 134.0° | 120.0° |
O05 | C04 | C03 | H032 | 94.2° | 60.0° |
O05 | C04 | C03 | H031 | 24.7° | 59.9° |