92K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C09 | doub | 1.21Å | 1.25Å | |
O10 | C09 | sing | 1.35Å | 1.28Å | |
C09 | C07 | sing | 1.49Å | 1.52Å | |
O08 | C07 | doub | 1.21Å | 1.21Å | |
C07 | C05 | sing | 1.47Å | 1.53Å | |
C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
N12 | C04 | sing | 1.39Å | 1.41Å | |
C06 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
O10 | H1 | sing | 0.97Å | 0.95Å | |
C01 | H2 | sing | 1.08Å | 1.08Å | |
C02 | H3 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
N12 | H6 | sing | 0.97Å | 1.00Å | |
N12 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C09 | O10 | 119.2° | 120.0° |
O11 | C09 | C07 | 118.0° | 120.0° |
O10 | C09 | C07 | 122.6° | 120.0° |
C09 | O10 | H1 | 109.5° | 117.0° |
C09 | C07 | O08 | 115.3° | 120.0° |
C09 | C07 | C05 | 127.8° | 120.0° |
O08 | C07 | C05 | 116.8° | 120.0° |
C07 | C05 | C06 | 116.5° | 120.2° |
C07 | C05 | C04 | 125.2° | 120.3° |
C06 | C05 | C04 | 118.3° | 119.5° |
C05 | C06 | C01 | 121.1° | 119.9° |
C05 | C06 | H5 | 119.4° | 120.1° |
C05 | C04 | N12 | 121.8° | 120.2° |
C05 | C04 | C03 | 120.7° | 119.6° |
N12 | C04 | C03 | 117.6° | 120.1° |
C04 | N12 | H6 | 109.5° | 120.1° |
C04 | N12 | H7 | 109.4° | 120.0° |
C06 | C01 | C02 | 120.0° | 120.4° |
C06 | C01 | H2 | 120.0° | 119.8° |
C01 | C06 | H5 | 119.5° | 120.0° |
C04 | C03 | C02 | 120.3° | 120.1° |
C04 | C03 | H4 | 119.8° | 120.0° |
C01 | C02 | C03 | 119.6° | 120.5° |
C02 | C01 | H2 | 120.0° | 119.8° |
C01 | C02 | H3 | 120.2° | 119.8° |
C03 | C02 | H3 | 120.2° | 119.7° |
C02 | C03 | H4 | 119.9° | 120.0° |
H6 | N12 | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C09 | O10 | C07 | 176.0° | 180.0° |
O11 | C09 | C07 | O08 | 110.4° | 173.8° |
O11 | C09 | C07 | C05 | 67.5° | 6.3° |
O11 | C09 | O10 | H1 | 0.0° | 0.0° |
O10 | C09 | C07 | O08 | 65.7° | 6.2° |
O10 | C09 | C07 | C05 | 116.4° | 173.7° |
C09 | C07 | O08 | C05 | 178.2° | 179.9° |
C09 | C07 | C05 | C06 | 166.2° | 6.4° |
C09 | C07 | C05 | C04 | 13.6° | 174.1° |
C07 | C09 | O10 | H1 | 176.1° | 180.0° |
O08 | C07 | C05 | C06 | 11.7° | 173.5° |
O08 | C07 | C05 | C04 | 168.5° | 5.9° |
C07 | C05 | C06 | C04 | 179.8° | 179.5° |
C07 | C05 | C04 | N12 | 0.1° | 0.3° |
C07 | C05 | C06 | C01 | 179.9° | 180.0° |
C07 | C05 | C04 | C03 | 180.0° | 179.8° |
C07 | C05 | C06 | H5 | 0.1° | 0.5° |
C06 | C05 | C04 | N12 | 180.0° | 179.8° |
C05 | C06 | C01 | H5 | 180.0° | 179.5° |
C06 | C05 | C04 | C03 | 0.2° | 0.3° |
C05 | C06 | C01 | C02 | 0.3° | 0.5° |
C05 | C06 | C01 | H2 | 179.7° | 179.7° |
C05 | C04 | N12 | C03 | 179.9° | 179.8° |
C04 | C05 | C06 | C01 | 0.2° | 0.5° |
C05 | C04 | C03 | C02 | 0.2° | 0.1° |
C05 | C04 | C03 | H4 | 179.8° | 179.9° |
C04 | C05 | C06 | H5 | 179.8° | 180.0° |
C05 | C04 | N12 | H6 | 180.0° | 174.5° |
C05 | C04 | N12 | H7 | 60.0° | 5.6° |
N12 | C04 | C03 | C02 | 179.9° | 180.0° |
N12 | C04 | C03 | H4 | 0.1° | 0.1° |
C04 | N12 | H6 | H7 | 120.0° | 179.9° |
C06 | C01 | C02 | H2 | 180.0° | 179.8° |
C06 | C01 | C02 | C03 | 0.3° | 0.3° |
C06 | C01 | C02 | H3 | 179.7° | 179.7° |
C04 | C03 | C02 | C01 | 0.3° | 0.1° |
C04 | C03 | C02 | H4 | 180.0° | 179.9° |
C04 | C03 | C02 | H3 | 179.7° | 179.9° |
C03 | C04 | N12 | H6 | 0.1° | 5.4° |
C03 | C04 | N12 | H7 | 120.1° | 174.6° |
C01 | C02 | C03 | H3 | 180.0° | 180.0° |
C01 | C02 | C03 | H4 | 179.7° | 180.0° |
C02 | C01 | C06 | H5 | 179.7° | 180.0° |
C03 | C02 | C01 | H2 | 179.7° | 179.9° |
H2 | C01 | C02 | H3 | 0.3° | 0.0° |
H2 | C01 | C06 | H5 | 0.3° | 0.2° |
H3 | C02 | C03 | H4 | 0.3° | 0.0° |