AZC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | N1 | sing | 1.46Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N1 | C7 | sing | 1.35Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C7 | O7 | doub | 1.21Å | 1.23Å | |
C7 | N2 | sing | 1.35Å | 1.34Å | |
N2 | C8 | sing | 1.35Å | 1.34Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
C8 | C9 | sing | 1.51Å | 1.52Å | |
C8 | O8 | doub | 1.21Å | 1.23Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
C9 | H93 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 109.1° | 109.7° |
C2 | C1 | N1 | 111.1° | 109.4° |
C2 | C1 | H1 | 108.4° | 109.4° |
C1 | C2 | O2 | 110.3° | 109.6° |
C1 | C2 | C3 | 110.3° | 109.0° |
C1 | C2 | H2 | 108.6° | 109.6° |
O5 | C1 | N1 | 108.8° | 109.4° |
O5 | C1 | H1 | 110.7° | 109.4° |
C1 | O5 | C5 | 114.5° | 107.6° |
N1 | C1 | H1 | 108.7° | 109.4° |
C1 | N1 | C7 | 120.0° | 120.0° |
C1 | N1 | HN1 | 108.4° | 120.0° |
O2 | C2 | C3 | 110.2° | 109.6° |
O2 | C2 | H2 | 108.7° | 109.5° |
C2 | O2 | HO2 | 110.3° | 106.8° |
C3 | C2 | H2 | 108.6° | 109.5° |
C2 | C3 | O3 | 110.2° | 109.8° |
C2 | C3 | C4 | 110.6° | 108.7° |
C2 | C3 | H3 | 108.2° | 109.6° |
O3 | C3 | C4 | 109.4° | 109.6° |
O3 | C3 | H3 | 109.4° | 109.5° |
C3 | O3 | HO3 | 110.2° | 106.9° |
C4 | C3 | H3 | 109.0° | 109.6° |
C3 | C4 | O4 | 109.5° | 109.7° |
C3 | C4 | C5 | 111.0° | 109.0° |
C3 | C4 | H4 | 108.6° | 109.5° |
O4 | C4 | C5 | 109.9° | 109.6° |
O4 | C4 | H4 | 109.7° | 109.5° |
C4 | O4 | HO4 | 109.6° | 106.9° |
C5 | C4 | H4 | 108.2° | 109.6° |
C4 | C5 | O5 | 109.5° | 109.8° |
C4 | C5 | C6 | 109.9° | 109.4° |
C4 | C5 | H5 | 108.9° | 109.4° |
O5 | C5 | C6 | 108.8° | 109.4° |
O5 | C5 | H5 | 110.1° | 109.4° |
C6 | C5 | H5 | 109.6° | 109.4° |
C5 | C6 | O6 | 110.2° | 109.5° |
C5 | C6 | H61 | 112.0° | 109.5° |
C5 | C6 | H62 | 111.9° | 109.4° |
O6 | C6 | H61 | 111.9° | 109.5° |
O6 | C6 | H62 | 111.9° | 109.4° |
C6 | O6 | HO6 | 110.2° | 106.8° |
H61 | C6 | H62 | 98.4° | 109.4° |
C7 | N1 | HN1 | 108.5° | 120.0° |
N1 | C7 | O7 | 120.2° | 120.0° |
N1 | C7 | N2 | 119.3° | 120.0° |
O7 | C7 | N2 | 120.4° | 120.0° |
C7 | N2 | C8 | 122.6° | 120.0° |
C7 | N2 | HN2 | 118.8° | 120.0° |
C8 | N2 | HN2 | 118.6° | 120.0° |
N2 | C8 | C9 | 116.3° | 120.1° |
N2 | C8 | O8 | 123.2° | 120.0° |
C9 | C8 | O8 | 120.5° | 119.9° |
C8 | C9 | H91 | 116.3° | 109.6° |
C8 | C9 | H92 | 109.7° | 109.4° |
C8 | C9 | H93 | 109.7° | 109.4° |
H91 | C9 | H92 | 109.8° | 109.5° |
H91 | C9 | H93 | 109.7° | 109.4° |
H92 | C9 | H93 | 100.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | N1 | 121.4° | 120.1° |
C2 | C1 | O5 | H1 | 119.2° | 120.1° |
C2 | C1 | N1 | H1 | 119.2° | 119.9° |
C1 | C2 | O2 | C3 | 122.1° | 119.6° |
C1 | C2 | O2 | H2 | 118.9° | 120.3° |
C1 | C2 | C3 | H2 | 118.9° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
C1 | C2 | C3 | O3 | 174.0° | 173.7° |
C1 | C2 | C3 | C4 | 52.9° | 53.7° |
C1 | C2 | C3 | H3 | 66.5° | 66.0° |
C2 | C1 | O5 | C5 | 62.0° | 67.6° |
C2 | C1 | N1 | C7 | 143.5° | 149.9° |
C2 | C1 | N1 | HN1 | 18.2° | 30.1° |
O5 | C1 | N1 | H1 | 120.7° | 119.8° |
O5 | C1 | C2 | O2 | 178.2° | 178.8° |
O5 | C1 | C2 | C3 | 56.2° | 61.3° |
O5 | C1 | C2 | H2 | 62.8° | 58.6° |
C1 | O5 | C5 | C4 | 61.0° | 67.6° |
C1 | O5 | C5 | C6 | 178.9° | 172.3° |
C1 | O5 | C5 | H5 | 58.7° | 52.5° |
O5 | C1 | N1 | C7 | 96.4° | 89.8° |
O5 | C1 | N1 | HN1 | 138.3° | 90.1° |
N1 | C1 | C2 | O2 | 61.8° | 58.7° |
N1 | C1 | C2 | C3 | 176.1° | 178.6° |
N1 | C1 | C2 | H2 | 57.2° | 61.5° |
N1 | C1 | O5 | C5 | 176.6° | 172.3° |
C1 | N1 | C7 | HN1 | 125.2° | 180.0° |
C1 | N1 | C7 | O7 | 2.3° | 0.0° |
C1 | N1 | C7 | N2 | 179.3° | 180.0° |
H1 | C1 | C2 | O2 | 57.6° | 61.2° |
H1 | C1 | C2 | C3 | 64.5° | 58.8° |
H1 | C1 | C2 | H2 | 176.6° | 178.6° |
H1 | C1 | O5 | C5 | 57.2° | 52.5° |
H1 | C1 | N1 | C7 | 24.3° | 30.0° |
H1 | C1 | N1 | HN1 | 101.0° | 150.0° |
O2 | C2 | C3 | H2 | 119.0° | 120.1° |
O2 | C2 | C3 | O3 | 63.9° | 66.4° |
O2 | C2 | C3 | C4 | 175.0° | 173.7° |
O2 | C2 | C3 | H3 | 55.6° | 53.9° |
C3 | C2 | O2 | HO2 | 57.9° | 180.0° |
C2 | C3 | O3 | C4 | 121.8° | 119.3° |
C2 | C3 | O3 | H3 | 118.9° | 120.4° |
C2 | C3 | C4 | H3 | 118.9° | 119.8° |
C2 | C3 | O3 | HO3 | 180.0° | 60.7° |
C2 | C3 | C4 | O4 | 173.6° | 173.7° |
C2 | C3 | C4 | C5 | 52.1° | 53.7° |
C2 | C3 | C4 | H4 | 66.7° | 66.2° |
H2 | C2 | O2 | HO2 | 61.1° | 59.8° |
H2 | C2 | C3 | O3 | 55.1° | 53.7° |
H2 | C2 | C3 | C4 | 66.0° | 66.2° |
H2 | C2 | C3 | H3 | 174.6° | 174.1° |
O3 | C3 | C4 | H3 | 119.5° | 120.2° |
O3 | C3 | C4 | O4 | 64.8° | 66.4° |
O3 | C3 | C4 | C5 | 173.7° | 173.7° |
O3 | C3 | C4 | H4 | 54.9° | 53.8° |
C4 | C3 | O3 | HO3 | 58.2° | 180.0° |
C3 | C4 | O4 | C5 | 122.2° | 119.7° |
C3 | C4 | O4 | H4 | 119.0° | 120.2° |
C3 | C4 | C5 | H4 | 119.0° | 119.8° |
C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
C3 | C4 | C5 | O5 | 54.4° | 61.2° |
C3 | C4 | C5 | C6 | 173.8° | 178.7° |
C3 | C4 | C5 | H5 | 66.1° | 58.9° |
H3 | C3 | O3 | HO3 | 61.2° | 59.7° |
H3 | C3 | C4 | O4 | 54.7° | 53.9° |
H3 | C3 | C4 | C5 | 66.8° | 66.1° |
H3 | C3 | C4 | H4 | 174.4° | 174.0° |
O4 | C4 | C5 | H4 | 119.7° | 120.1° |
O4 | C4 | C5 | O5 | 175.6° | 178.8° |
O4 | C4 | C5 | C6 | 64.9° | 58.7° |
O4 | C4 | C5 | H5 | 55.2° | 61.2° |
C5 | C4 | O4 | HO4 | 57.8° | 179.9° |
C4 | C5 | O5 | C6 | 120.1° | 120.1° |
C4 | C5 | O5 | H5 | 119.7° | 120.0° |
C4 | C5 | C6 | H5 | 119.7° | 119.8° |
C4 | C5 | C6 | O6 | 54.7° | 179.7° |
C4 | C5 | C6 | H61 | 180.0° | 59.6° |
C4 | C5 | C6 | H62 | 70.6° | 60.3° |
H4 | C4 | O4 | HO4 | 61.0° | 59.7° |
H4 | C4 | C5 | O5 | 64.7° | 58.6° |
H4 | C4 | C5 | C6 | 54.8° | 61.5° |
H4 | C4 | C5 | H5 | 174.9° | 178.7° |
O5 | C5 | C6 | H5 | 120.4° | 119.9° |
O5 | C5 | C6 | O6 | 65.2° | 60.0° |
O5 | C5 | C6 | H61 | 60.1° | 180.0° |
O5 | C5 | C6 | H62 | 169.5° | 60.0° |
C5 | C6 | O6 | H61 | 125.3° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 117.8° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 174.4° | 59.9° |
H5 | C5 | C6 | H61 | 60.3° | 60.2° |
H5 | C5 | C6 | H62 | 49.1° | 179.9° |
O6 | C6 | H61 | H62 | 117.8° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
N1 | C7 | O7 | N2 | 178.4° | 179.9° |
N1 | C7 | N2 | C8 | 2.8° | 180.0° |
N1 | C7 | N2 | HN2 | 177.2° | 0.0° |
HN1 | N1 | C7 | O7 | 123.0° | 180.0° |
HN1 | N1 | C7 | N2 | 55.4° | 0.0° |
O7 | C7 | N2 | C8 | 178.8° | 0.0° |
O7 | C7 | N2 | HN2 | 1.2° | 179.9° |
C7 | N2 | C8 | HN2 | 180.0° | 179.9° |
C7 | N2 | C8 | C9 | 163.4° | 180.0° |
C7 | N2 | C8 | O8 | 16.1° | 0.0° |
N2 | C8 | C9 | O8 | 179.6° | 180.0° |
N2 | C8 | C9 | H91 | 180.0° | 180.0° |
N2 | C8 | C9 | H92 | 54.7° | 59.9° |
N2 | C8 | C9 | H93 | 54.7° | 60.0° |
HN2 | N2 | C8 | C9 | 16.5° | 0.1° |
HN2 | N2 | C8 | O8 | 163.9° | 179.9° |
C8 | C9 | H91 | H92 | 125.2° | 120.0° |
C8 | C9 | H91 | H93 | 125.2° | 120.0° |
C8 | C9 | H92 | H93 | 115.5° | 119.9° |
O8 | C8 | C9 | H91 | 0.4° | 0.0° |
O8 | C8 | C9 | H92 | 125.7° | 120.1° |
O8 | C8 | C9 | H93 | 124.8° | 120.0° |
H91 | C9 | H92 | H93 | 115.6° | 120.0° |