DL6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | sing | 1.43Å | 1.45Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C6 | C5 | sing | 1.53Å | 1.56Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | C4 | sing | 1.53Å | 1.62Å | |
C5 | O5 | sing | 1.43Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.57Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.45Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | N1 | sing | 1.46Å | 1.48Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
N1 | C7 | sing | 1.35Å | 1.32Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C7 | C8 | sing | 1.51Å | 1.54Å | |
C7 | O7 | doub | 1.21Å | 1.19Å | |
C8 | N2 | sing | 1.46Å | 1.43Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
N2 | N3 | doub | 1.12Å | 1.17Å | |
N3 | N4 | doub | 1.12Å | 1.17Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | O6 | HO6 | 109.5° | 106.8° |
O6 | C6 | C5 | 108.0° | 109.5° |
O6 | C6 | H61 | 110.3° | 109.5° |
O6 | C6 | H62 | 110.0° | 109.5° |
C5 | C6 | H61 | 110.3° | 109.4° |
C5 | C6 | H62 | 109.9° | 109.5° |
C6 | C5 | C4 | 110.0° | 109.4° |
C6 | C5 | O5 | 109.4° | 109.4° |
C6 | C5 | H5 | 108.2° | 109.4° |
H61 | C6 | H62 | 108.4° | 109.4° |
C4 | C5 | O5 | 106.5° | 109.8° |
C4 | C5 | H5 | 111.0° | 109.4° |
C5 | C4 | O4 | 112.5° | 109.6° |
C5 | C4 | C3 | 109.3° | 109.0° |
C5 | C4 | H4 | 107.3° | 109.6° |
O5 | C5 | H5 | 111.7° | 109.4° |
C5 | O5 | C1 | 113.1° | 107.6° |
O4 | C4 | C3 | 108.6° | 109.6° |
O4 | C4 | H4 | 108.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C3 | C4 | H4 | 111.2° | 109.5° |
C4 | C3 | O3 | 111.1° | 109.8° |
C4 | C3 | C2 | 106.7° | 108.6° |
C4 | C3 | H3 | 110.6° | 109.7° |
O3 | C3 | C2 | 110.5° | 109.6° |
O3 | C3 | H3 | 106.8° | 109.6° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C2 | C3 | H3 | 111.2° | 109.6° |
C3 | C2 | O2 | 108.4° | 109.6° |
C3 | C2 | C1 | 111.6° | 109.0° |
C3 | C2 | H2 | 108.9° | 109.5° |
O2 | C2 | C1 | 109.7° | 109.6° |
O2 | C2 | H2 | 110.7° | 109.5° |
C2 | O2 | HO2 | 109.5° | 106.8° |
C1 | C2 | H2 | 107.5° | 109.5° |
C2 | C1 | N1 | 104.6° | 109.4° |
C2 | C1 | O5 | 110.7° | 109.8° |
C2 | C1 | H1 | 111.6° | 109.4° |
N1 | C1 | O5 | 108.8° | 109.4° |
N1 | C1 | H1 | 113.4° | 109.4° |
C1 | N1 | C7 | 123.1° | 120.0° |
C1 | N1 | HN1 | 118.4° | 120.0° |
O5 | C1 | H1 | 107.6° | 109.4° |
C7 | N1 | HN1 | 118.5° | 120.0° |
N1 | C7 | C8 | 118.7° | 120.0° |
N1 | C7 | O7 | 122.7° | 120.0° |
C8 | C7 | O7 | 118.6° | 120.0° |
C7 | C8 | N2 | 113.6° | 109.5° |
C7 | C8 | H81 | 107.1° | 109.4° |
C7 | C8 | H82 | 108.1° | 109.5° |
N2 | C8 | H81 | 107.2° | 109.4° |
N2 | C8 | H82 | 108.1° | 109.5° |
C8 | N2 | N3 | 119.9° | 120.1° |
H81 | C8 | H82 | 112.8° | 109.5° |
N2 | N3 | N4 | 179.7° | 179.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | C5 | H61 | 120.6° | 120.0° |
O6 | C6 | C5 | H62 | 120.0° | 120.0° |
O6 | C6 | H61 | H62 | 120.4° | 120.0° |
O6 | C6 | C5 | C4 | 59.2° | 174.8° |
O6 | C6 | C5 | O5 | 57.5° | 64.9° |
O6 | C6 | C5 | H5 | 179.3° | 55.0° |
HO6 | O6 | C6 | C5 | 81.6° | 180.0° |
HO6 | O6 | C6 | H61 | 157.8° | 60.0° |
HO6 | O6 | C6 | H62 | 38.4° | 60.0° |
C5 | C6 | H61 | H62 | 120.4° | 120.0° |
C6 | C5 | C4 | O5 | 118.4° | 120.1° |
C6 | C5 | C4 | H5 | 119.8° | 119.8° |
C6 | C5 | O5 | H5 | 119.8° | 119.8° |
C6 | C5 | C4 | O4 | 60.3° | 58.7° |
C6 | C5 | C4 | C3 | 179.0° | 178.5° |
C6 | C5 | C4 | H4 | 58.3° | 61.6° |
C6 | C5 | O5 | C1 | 179.5° | 172.3° |
H61 | C6 | C5 | C4 | 179.7° | 65.1° |
H61 | C6 | C5 | O5 | 63.1° | 55.2° |
H61 | C6 | C5 | H5 | 58.8° | 175.0° |
H62 | C6 | C5 | C4 | 60.8° | 54.8° |
H62 | C6 | C5 | O5 | 177.5° | 175.1° |
H62 | C6 | C5 | H5 | 60.7° | 65.0° |
C4 | C5 | O5 | H5 | 121.4° | 120.1° |
C5 | C4 | O4 | C3 | 121.1° | 119.6° |
C5 | C4 | O4 | H4 | 118.2° | 120.3° |
C5 | C4 | C3 | H4 | 118.3° | 119.9° |
C5 | C4 | O4 | HO4 | 16.2° | 179.5° |
C5 | C4 | C3 | O3 | 179.3° | 173.6° |
C5 | C4 | C3 | C2 | 58.8° | 53.8° |
C5 | C4 | C3 | H3 | 62.3° | 65.9° |
C4 | C5 | O5 | C1 | 61.6° | 67.6° |
O5 | C5 | C4 | O4 | 178.7° | 178.7° |
O5 | C5 | C4 | C3 | 60.6° | 61.4° |
O5 | C5 | C4 | H4 | 60.1° | 58.5° |
C5 | O5 | C1 | C2 | 61.0° | 67.6° |
C5 | O5 | C1 | N1 | 175.4° | 172.4° |
C5 | O5 | C1 | H1 | 61.3° | 52.5° |
H5 | C5 | C4 | O4 | 59.5° | 61.2° |
H5 | C5 | C4 | C3 | 61.2° | 58.7° |
H5 | C5 | C4 | H4 | 178.1° | 178.6° |
H5 | C5 | O5 | C1 | 59.7° | 52.5° |
O4 | C4 | C3 | H4 | 118.7° | 120.1° |
O4 | C4 | C3 | O3 | 57.7° | 66.5° |
O4 | C4 | C3 | C2 | 178.1° | 173.7° |
O4 | C4 | C3 | H3 | 60.8° | 54.0° |
C3 | C4 | O4 | HO4 | 104.9° | 59.9° |
C4 | C3 | O3 | C2 | 118.2° | 119.2° |
C4 | C3 | O3 | H3 | 120.7° | 120.5° |
C4 | C3 | C2 | H3 | 120.7° | 119.8° |
C4 | C3 | O3 | HO3 | 172.8° | 179.2° |
C4 | C3 | C2 | O2 | 178.1° | 173.7° |
C4 | C3 | C2 | C1 | 57.1° | 53.7° |
C4 | C3 | C2 | H2 | 61.4° | 66.1° |
H4 | C4 | O4 | HO4 | 134.3° | 60.2° |
H4 | C4 | C3 | O3 | 61.0° | 53.6° |
H4 | C4 | C3 | C2 | 59.4° | 66.2° |
H4 | C4 | C3 | H3 | 179.5° | 174.1° |
O3 | C3 | C2 | H3 | 118.4° | 120.3° |
O3 | C3 | C2 | O2 | 61.0° | 66.4° |
O3 | C3 | C2 | C1 | 178.0° | 173.6° |
O3 | C3 | C2 | H2 | 59.5° | 53.8° |
C2 | C3 | O3 | HO3 | 69.0° | 60.0° |
C3 | C2 | O2 | C1 | 122.2° | 119.6° |
C3 | C2 | O2 | H2 | 119.3° | 120.2° |
C3 | C2 | C1 | H2 | 119.3° | 119.8° |
C3 | C2 | O2 | HO2 | 120.8° | 179.6° |
C3 | C2 | C1 | N1 | 175.0° | 178.7° |
C3 | C2 | C1 | O5 | 57.9° | 61.2° |
C3 | C2 | C1 | H1 | 62.0° | 58.8° |
H3 | C3 | O3 | HO3 | 52.1° | 60.3° |
H3 | C3 | C2 | O2 | 57.4° | 53.9° |
H3 | C3 | C2 | C1 | 63.5° | 66.1° |
H3 | C3 | C2 | H2 | 178.0° | 174.1° |
O2 | C2 | C1 | H2 | 120.5° | 120.2° |
O2 | C2 | C1 | N1 | 64.8° | 58.7° |
O2 | C2 | C1 | O5 | 178.1° | 178.8° |
O2 | C2 | C1 | H1 | 58.3° | 61.1° |
C1 | C2 | O2 | HO2 | 1.4° | 59.9° |
C2 | C1 | N1 | O5 | 118.4° | 120.3° |
C2 | C1 | N1 | H1 | 121.9° | 119.8° |
C2 | C1 | O5 | H1 | 122.3° | 120.0° |
C2 | C1 | N1 | C7 | 135.0° | 144.7° |
C2 | C1 | N1 | HN1 | 45.0° | 35.3° |
H2 | C2 | O2 | HO2 | 119.9° | 60.2° |
H2 | C2 | C1 | N1 | 55.7° | 61.5° |
H2 | C2 | C1 | O5 | 61.4° | 58.6° |
H2 | C2 | C1 | H1 | 178.7° | 178.7° |
N1 | C1 | O5 | H1 | 123.3° | 119.9° |
C1 | N1 | C7 | HN1 | 180.0° | 180.0° |
C1 | N1 | C7 | C8 | 179.6° | 180.0° |
C1 | N1 | C7 | O7 | 0.0° | 0.0° |
O5 | C1 | N1 | C7 | 106.6° | 95.0° |
O5 | C1 | N1 | HN1 | 73.3° | 85.0° |
H1 | C1 | N1 | C7 | 13.1° | 24.9° |
H1 | C1 | N1 | HN1 | 166.9° | 155.1° |
N1 | C7 | C8 | O7 | 179.7° | 179.9° |
N1 | C7 | C8 | N2 | 179.8° | 180.0° |
N1 | C7 | C8 | H81 | 61.6° | 60.1° |
N1 | C7 | C8 | H82 | 60.2° | 60.0° |
HN1 | N1 | C7 | C8 | 0.4° | 0.0° |
HN1 | N1 | C7 | O7 | 179.9° | 180.0° |
C7 | C8 | N2 | H81 | 118.2° | 119.9° |
C7 | C8 | N2 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H82 | 118.8° | 120.0° |
C7 | C8 | N2 | N3 | 121.2° | 120.0° |
O7 | C7 | C8 | N2 | 0.1° | 0.1° |
O7 | C7 | C8 | H81 | 118.1° | 120.0° |
O7 | C7 | C8 | H82 | 120.1° | 120.0° |
N2 | C8 | H81 | H82 | 118.9° | 120.0° |
C8 | N2 | N3 | N4 | 5.8° | 19.9° |
H81 | C8 | N2 | N3 | 120.6° | 0.0° |
H82 | C8 | N2 | N3 | 1.2° | 120.0° |