O09
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C8 | doub | 1.21Å | 1.22Å | |
C8 | O2 | sing | 1.34Å | 1.33Å | |
C8 | C7 | sing | 1.51Å | 1.51Å | |
C7 | O1 | sing | 1.43Å | 1.42Å | |
O1 | N2 | sing | 1.42Å | 1.37Å | |
N2 | C6 | doub | 1.29Å | 1.26Å | |
C6 | C5 | sing | 1.48Å | 1.48Å | |
C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
C10 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.48Å | 1.50Å | |
N1 | C1 | sing | 1.38Å | 1.34Å | |
C1 | N3 | doub | 1.30Å | 1.28Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C8 | O2 | 119.1° | 120.0° |
O3 | C8 | C7 | 119.8° | 120.0° |
O2 | C8 | C7 | 121.1° | 120.0° |
C8 | O2 | HO2 | 109.5° | 117.0° |
C8 | C7 | O1 | 109.8° | 109.4° |
C8 | C7 | H7 | 109.3° | 109.5° |
C8 | C7 | H7A | 109.4° | 109.5° |
C7 | O1 | N2 | 119.1° | 114.0° |
O1 | C7 | H7 | 109.4° | 109.4° |
O1 | C7 | H7A | 109.3° | 109.4° |
O1 | N2 | C6 | 116.9° | 120.0° |
N2 | C6 | C5 | 125.5° | 120.0° |
N2 | C6 | H6 | 117.2° | 120.0° |
C6 | C5 | C4 | 116.6° | 120.0° |
C6 | C5 | C9 | 123.7° | 120.0° |
C5 | C6 | H6 | 117.2° | 120.0° |
C4 | C5 | C9 | 119.7° | 120.0° |
C5 | C4 | C3 | 120.1° | 120.0° |
C5 | C4 | H4 | 120.0° | 120.0° |
C5 | C9 | C10 | 120.2° | 119.9° |
C5 | C9 | H9 | 119.9° | 120.0° |
C4 | C3 | C2 | 120.9° | 120.0° |
C4 | C3 | H3 | 119.5° | 120.0° |
C3 | C4 | H4 | 120.0° | 120.0° |
C9 | C10 | C2 | 119.6° | 120.1° |
C10 | C9 | H9 | 119.9° | 120.0° |
C9 | C10 | H10 | 120.2° | 120.0° |
C3 | C2 | C10 | 119.4° | 120.0° |
C3 | C2 | C1 | 118.5° | 120.0° |
C2 | C3 | H3 | 119.5° | 120.0° |
C10 | C2 | C1 | 122.2° | 120.0° |
C2 | C10 | H10 | 120.2° | 120.0° |
C2 | C1 | N1 | 118.2° | 120.0° |
C2 | C1 | N3 | 121.2° | 120.0° |
N1 | C1 | N3 | 120.6° | 120.1° |
C1 | N1 | HN1 | 120.0° | 120.0° |
C1 | N1 | HN1A | 120.0° | 120.0° |
C1 | N3 | HN3 | 112.0° | 119.9° |
HN1 | N1 | HN1A | 120.0° | 120.0° |
H7 | C7 | H7A | 109.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C8 | O2 | C7 | 179.5° | 179.9° |
O3 | C8 | C7 | O1 | 178.8° | 0.0° |
O3 | C8 | O2 | HO2 | 0.0° | 0.1° |
O3 | C8 | C7 | H7 | 58.8° | 120.0° |
O3 | C8 | C7 | H7A | 61.2° | 120.0° |
O2 | C8 | C7 | O1 | 0.7° | 180.0° |
O2 | C8 | C7 | H7 | 120.7° | 60.1° |
O2 | C8 | C7 | H7A | 119.3° | 60.0° |
C8 | C7 | O1 | H7 | 120.0° | 120.0° |
C8 | C7 | O1 | H7A | 120.0° | 120.0° |
C8 | C7 | O1 | N2 | 79.3° | 180.0° |
C7 | C8 | O2 | HO2 | 179.5° | 180.0° |
C8 | C7 | H7 | H7A | 119.9° | 120.1° |
C7 | O1 | N2 | C6 | 152.2° | 180.0° |
O1 | C7 | H7 | H7A | 119.8° | 120.0° |
O1 | N2 | C6 | C5 | 180.0° | 180.0° |
O1 | N2 | C6 | H6 | 0.0° | 0.0° |
N2 | O1 | C7 | H7 | 40.7° | 60.0° |
N2 | O1 | C7 | H7A | 160.7° | 60.0° |
N2 | C6 | C5 | H6 | 180.0° | 180.0° |
N2 | C6 | C5 | C4 | 167.1° | 179.9° |
N2 | C6 | C5 | C9 | 14.4° | 0.0° |
C6 | C5 | C4 | C9 | 178.5° | 179.9° |
C6 | C5 | C4 | C3 | 179.7° | 180.0° |
C6 | C5 | C9 | C10 | 179.6° | 179.7° |
C6 | C5 | C4 | H4 | 0.3° | 0.1° |
C6 | C5 | C9 | H9 | 0.4° | 0.0° |
C5 | C4 | C3 | H4 | 180.0° | 179.9° |
C4 | C5 | C9 | C10 | 1.2° | 0.2° |
C5 | C4 | C3 | C2 | 0.7° | 0.0° |
C5 | C4 | C3 | H3 | 179.3° | 179.9° |
C4 | C5 | C6 | H6 | 12.9° | 0.1° |
C4 | C5 | C9 | H9 | 178.8° | 179.9° |
C9 | C5 | C4 | C3 | 1.1° | 0.0° |
C5 | C9 | C10 | H9 | 180.0° | 179.7° |
C5 | C9 | C10 | C2 | 0.8° | 0.5° |
C9 | C5 | C4 | H4 | 178.9° | 180.0° |
C9 | C5 | C6 | H6 | 165.6° | 180.0° |
C5 | C9 | C10 | H10 | 179.2° | 180.0° |
C4 | C3 | C2 | H3 | 180.0° | 179.9° |
C4 | C3 | C2 | C10 | 0.3° | 0.3° |
C4 | C3 | C2 | C1 | 179.9° | 180.0° |
C9 | C10 | C2 | C3 | 0.4° | 0.5° |
C9 | C10 | C2 | H10 | 180.0° | 179.5° |
C9 | C10 | C2 | C1 | 179.8° | 179.7° |
C3 | C2 | C10 | C1 | 179.8° | 179.8° |
C3 | C2 | C1 | N1 | 12.4° | 179.7° |
C3 | C2 | C1 | N3 | 168.3° | 0.0° |
C2 | C3 | C4 | H4 | 179.3° | 179.9° |
C3 | C2 | C10 | H10 | 179.6° | 179.9° |
C10 | C2 | C1 | N1 | 167.4° | 0.5° |
C10 | C2 | C1 | N3 | 11.9° | 179.8° |
C10 | C2 | C3 | H3 | 179.6° | 179.8° |
C2 | C10 | C9 | H9 | 179.1° | 179.8° |
C2 | C1 | N1 | N3 | 179.3° | 179.7° |
C2 | C1 | N1 | HN1 | 179.3° | 179.7° |
C2 | C1 | N1 | HN1A | 0.7° | 0.3° |
C1 | C2 | C3 | H3 | 0.2° | 0.0° |
C2 | C1 | N3 | HN3 | 179.2° | 179.7° |
C1 | C2 | C10 | H10 | 0.2° | 0.2° |
C1 | N1 | HN1 | HN1A | 180.0° | 180.0° |
N1 | C1 | N3 | HN3 | 0.0° | 0.0° |
N3 | C1 | N1 | HN1 | 0.0° | 0.0° |
N3 | C1 | N1 | HN1A | 180.0° | 180.0° |
H3 | C3 | C4 | H4 | 0.7° | 0.0° |
H9 | C9 | C10 | H10 | 0.9° | 0.2° |