GL2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.52Å | 1.55Å | |
C1 | O5 | sing | 1.42Å | 1.49Å | |
C1 | N2 | sing | 1.47Å | 1.44Å | |
C1 | C7 | sing | 1.51Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.39Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | C6 | sing | 1.53Å | 1.48Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
N2 | C8 | sing | 1.35Å | 1.33Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
C8 | O8 | doub | 1.22Å | 1.23Å | |
C8 | N1 | sing | 1.34Å | 1.34Å | |
N1 | C7 | sing | 1.35Å | 1.33Å | |
N1 | N3 | sing | 1.37Å | 1.40Å | |
C7 | O7 | doub | 1.21Å | 1.26Å | |
N3 | HN31 | sing | 1.01Å | 1.02Å | |
N3 | HN32 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 113.3° | 111.1° |
C2 | C1 | N2 | 106.1° | 110.2° |
C2 | C1 | C7 | 116.2° | 110.4° |
C1 | C2 | O2 | 111.7° | 109.6° |
C1 | C2 | C3 | 109.8° | 109.1° |
C1 | C2 | H2 | 107.9° | 109.5° |
O5 | C1 | N2 | 110.0° | 110.6° |
O5 | C1 | C7 | 109.8° | 110.3° |
C1 | O5 | C5 | 115.9° | 107.8° |
N2 | C1 | C7 | 100.5° | 104.0° |
C1 | N2 | C8 | 107.4° | 106.5° |
C1 | N2 | HN2 | 112.9° | 126.7° |
C1 | C7 | N1 | 110.3° | 105.6° |
C1 | C7 | O7 | 125.2° | 127.2° |
O2 | C2 | C3 | 109.8° | 109.5° |
O2 | C2 | H2 | 107.9° | 109.5° |
C2 | O2 | HO2 | 111.7° | 106.8° |
C3 | C2 | H2 | 109.8° | 109.5° |
C2 | C3 | O3 | 106.5° | 109.8° |
C2 | C3 | C4 | 110.4° | 108.6° |
C2 | C3 | H3 | 111.1° | 109.6° |
O3 | C3 | C4 | 110.1° | 109.6° |
O3 | C3 | H3 | 111.3° | 109.6° |
C3 | O3 | HO3 | 106.5° | 106.9° |
C4 | C3 | H3 | 107.5° | 109.6° |
C3 | C4 | O4 | 106.1° | 109.7° |
C3 | C4 | C5 | 108.9° | 109.1° |
C3 | C4 | H4 | 112.7° | 109.5° |
O4 | C4 | C5 | 111.1° | 109.6° |
O4 | C4 | H4 | 110.4° | 109.5° |
C4 | O4 | HO4 | 106.1° | 106.8° |
C5 | C4 | H4 | 107.7° | 109.5° |
C4 | C5 | C6 | 114.7° | 109.4° |
C4 | C5 | O5 | 107.9° | 109.8° |
C4 | C5 | H5 | 106.6° | 109.4° |
C6 | C5 | O5 | 108.2° | 109.4° |
C6 | C5 | H5 | 106.4° | 109.4° |
C5 | C6 | O6 | 108.4° | 109.5° |
C5 | C6 | H61 | 112.6° | 109.5° |
C5 | C6 | H62 | 112.6° | 109.4° |
O5 | C5 | H5 | 113.3° | 109.4° |
O6 | C6 | H61 | 112.6° | 109.5° |
O6 | C6 | H62 | 112.6° | 109.4° |
C6 | O6 | HO6 | 108.4° | 106.8° |
H61 | C6 | H62 | 97.8° | 109.5° |
C8 | N2 | HN2 | 113.0° | 126.8° |
N2 | C8 | O8 | 123.0° | 123.8° |
N2 | C8 | N1 | 116.0° | 112.4° |
O8 | C8 | N1 | 120.9° | 123.9° |
C8 | N1 | C7 | 105.7° | 111.6° |
C8 | N1 | N3 | 127.0° | 124.1° |
C7 | N1 | N3 | 127.3° | 124.3° |
N1 | C7 | O7 | 124.5° | 127.2° |
N1 | N3 | HN31 | 126.9° | 106.7° |
N1 | N3 | HN32 | 106.0° | 106.7° |
HN31 | N3 | HN32 | 106.1° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | N2 | 118.5° | 122.8° |
C2 | C1 | O5 | C7 | 131.7° | 122.8° |
C2 | C1 | N2 | C7 | 121.4° | 118.3° |
C1 | C2 | O2 | C3 | 122.0° | 119.7° |
C1 | C2 | O2 | H2 | 118.4° | 120.2° |
C1 | C2 | C3 | H2 | 118.4° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 179.6° |
C1 | C2 | C3 | O3 | 171.7° | 172.8° |
C1 | C2 | C3 | C4 | 52.2° | 52.9° |
C1 | C2 | C3 | H3 | 67.0° | 66.7° |
C2 | C1 | O5 | C5 | 52.3° | 66.2° |
C2 | C1 | N2 | C8 | 121.9° | 118.1° |
C2 | C1 | N2 | HN2 | 3.4° | 61.9° |
C2 | C1 | C7 | N1 | 113.9° | 117.9° |
C2 | C1 | C7 | O7 | 66.3° | 61.8° |
O5 | C1 | N2 | C7 | 115.8° | 118.4° |
O5 | C1 | C2 | O2 | 168.5° | 179.8° |
O5 | C1 | C2 | C3 | 46.5° | 59.9° |
O5 | C1 | C2 | H2 | 73.1° | 60.0° |
C1 | O5 | C5 | C4 | 58.8° | 66.7° |
C1 | O5 | C5 | C6 | 176.6° | 173.3° |
C1 | O5 | C5 | H5 | 59.0° | 53.4° |
O5 | C1 | N2 | C8 | 115.2° | 118.6° |
O5 | C1 | N2 | HN2 | 119.5° | 61.4° |
O5 | C1 | C7 | N1 | 116.0° | 118.9° |
O5 | C1 | C7 | O7 | 63.9° | 61.4° |
N2 | C1 | C2 | O2 | 70.7° | 57.2° |
N2 | C1 | C2 | C3 | 167.3° | 177.2° |
N2 | C1 | C2 | H2 | 47.7° | 63.0° |
N2 | C1 | O5 | C5 | 170.8° | 171.1° |
C1 | N2 | C8 | HN2 | 125.2° | 180.0° |
C1 | N2 | C8 | O8 | 179.6° | 180.0° |
C1 | N2 | C8 | N1 | 1.0° | 0.1° |
N2 | C1 | C7 | N1 | 0.0° | 0.3° |
N2 | C1 | C7 | O7 | 179.8° | 180.0° |
C7 | C1 | C2 | O2 | 40.0° | 57.0° |
C7 | C1 | C2 | C3 | 82.0° | 62.9° |
C7 | C1 | C2 | H2 | 158.4° | 177.3° |
C7 | C1 | O5 | C5 | 79.4° | 56.6° |
C7 | C1 | N2 | C8 | 0.5° | 0.2° |
C7 | C1 | N2 | HN2 | 124.8° | 179.8° |
C1 | C7 | N1 | C8 | 0.6° | 0.3° |
C1 | C7 | N1 | O7 | 179.8° | 179.7° |
C1 | C7 | N1 | N3 | 179.0° | 179.9° |
O2 | C2 | C3 | H2 | 118.4° | 120.1° |
O2 | C2 | C3 | O3 | 65.1° | 67.2° |
O2 | C2 | C3 | C4 | 175.3° | 172.9° |
O2 | C2 | C3 | H3 | 56.2° | 53.3° |
C3 | C2 | O2 | HO2 | 57.9° | 59.9° |
C2 | C3 | O3 | C4 | 119.7° | 119.2° |
C2 | C3 | O3 | H3 | 121.2° | 120.5° |
C2 | C3 | C4 | H3 | 121.3° | 119.7° |
C2 | C3 | O3 | HO3 | 180.0° | 179.2° |
C2 | C3 | C4 | O4 | 179.5° | 174.1° |
C2 | C3 | C4 | C5 | 60.9° | 54.1° |
C2 | C3 | C4 | H4 | 58.6° | 65.7° |
H2 | C2 | O2 | HO2 | 61.6° | 60.2° |
H2 | C2 | C3 | O3 | 53.3° | 52.9° |
H2 | C2 | C3 | C4 | 66.3° | 66.9° |
H2 | C2 | C3 | H3 | 174.6° | 173.4° |
O3 | C3 | C4 | H3 | 121.4° | 120.3° |
O3 | C3 | C4 | O4 | 62.2° | 65.9° |
O3 | C3 | C4 | C5 | 178.2° | 174.1° |
O3 | C3 | C4 | H4 | 58.8° | 54.3° |
C4 | C3 | O3 | HO3 | 60.3° | 60.0° |
C3 | C4 | O4 | C5 | 118.2° | 119.7° |
C3 | C4 | O4 | H4 | 122.4° | 120.2° |
C3 | C4 | C5 | H4 | 122.5° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
C3 | C4 | C5 | C6 | 177.3° | 178.2° |
C3 | C4 | C5 | O5 | 62.1° | 61.7° |
C3 | C4 | C5 | H5 | 59.9° | 58.4° |
H3 | C3 | O3 | HO3 | 58.8° | 60.3° |
H3 | C3 | C4 | O4 | 59.2° | 54.5° |
H3 | C3 | C4 | C5 | 60.4° | 65.5° |
H3 | C3 | C4 | H4 | 179.9° | 174.6° |
O4 | C4 | C5 | H4 | 121.1° | 120.1° |
O4 | C4 | C5 | C6 | 60.8° | 58.1° |
O4 | C4 | C5 | O5 | 178.6° | 178.3° |
O4 | C4 | C5 | H5 | 56.5° | 61.7° |
C5 | C4 | O4 | HO4 | 61.8° | 60.0° |
C4 | C5 | C6 | O5 | 120.4° | 120.4° |
C4 | C5 | C6 | H5 | 117.5° | 119.8° |
C4 | C5 | O5 | H5 | 117.8° | 120.1° |
C4 | C5 | C6 | O6 | 53.7° | 179.7° |
C4 | C5 | C6 | H61 | 179.0° | 59.6° |
C4 | C5 | C6 | H62 | 71.6° | 60.4° |
H4 | C4 | O4 | HO4 | 57.7° | 60.2° |
H4 | C4 | C5 | C6 | 60.2° | 61.9° |
H4 | C4 | C5 | O5 | 60.4° | 58.2° |
H4 | C4 | C5 | H5 | 177.6° | 178.2° |
C6 | C5 | O5 | H5 | 117.7° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.1° |
C5 | C6 | O6 | H62 | 125.3° | 119.9° |
C5 | C6 | H61 | H62 | 118.5° | 120.0° |
C5 | C6 | O6 | HO6 | 179.9° | 180.0° |
O5 | C5 | C6 | O6 | 66.8° | 59.9° |
O5 | C5 | C6 | H61 | 58.5° | 180.0° |
O5 | C5 | C6 | H62 | 168.0° | 60.0° |
H5 | C5 | C6 | O6 | 171.2° | 59.9° |
H5 | C5 | C6 | H61 | 63.5° | 60.2° |
H5 | C5 | C6 | H62 | 45.9° | 179.8° |
O6 | C6 | H61 | H62 | 118.5° | 120.0° |
H61 | C6 | O6 | HO6 | 54.8° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.1° |
N2 | C8 | O8 | N1 | 179.4° | 179.9° |
N2 | C8 | N1 | C7 | 1.0° | 0.2° |
N2 | C8 | N1 | N3 | 178.6° | 179.9° |
HN2 | N2 | C8 | O8 | 55.2° | 0.1° |
HN2 | N2 | C8 | N1 | 124.2° | 180.0° |
O8 | C8 | N1 | C7 | 179.6° | 179.7° |
O8 | C8 | N1 | N3 | 0.8° | 0.0° |
C8 | N1 | C7 | N3 | 179.6° | 179.8° |
C8 | N1 | C7 | O7 | 179.3° | 180.0° |
C8 | N1 | N3 | HN31 | 180.0° | 0.0° |
C8 | N1 | N3 | HN32 | 54.8° | 113.8° |
C7 | N1 | N3 | HN31 | 0.5° | 179.7° |
C7 | N1 | N3 | HN32 | 124.8° | 66.5° |
N3 | N1 | C7 | O7 | 1.1° | 0.2° |
N1 | N3 | HN31 | HN32 | 125.2° | 113.8° |