NGZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.58Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C1 | O1 | sing | 1.43Å | 1.11Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | N2 | sing | 1.46Å | 1.49Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.58Å | |
C4 | O4 | sing | 1.43Å | 1.46Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.46Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.51Å | 1.52Å | |
C7 | N2 | sing | 1.35Å | 1.46Å | |
C7 | O7 | doub | 1.21Å | 1.41Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 112.5° | 109.4° |
C2 | C1 | O1 | 110.5° | 109.5° |
C2 | C1 | H1 | 105.2° | 109.5° |
C1 | C2 | C3 | 110.9° | 109.1° |
C1 | C2 | N2 | 115.2° | 109.5° |
C1 | C2 | H2 | 105.7° | 109.5° |
O5 | C1 | O1 | 110.5° | 109.5° |
O5 | C1 | H1 | 106.4° | 109.4° |
C1 | O5 | C5 | 119.8° | 114.1° |
O1 | C1 | H1 | 111.7° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C2 | N2 | 111.9° | 109.5° |
C3 | C2 | H2 | 105.9° | 109.5° |
C2 | C3 | C4 | 111.2° | 109.1° |
C2 | C3 | O3 | 110.8° | 109.5° |
C2 | C3 | H3 | 107.8° | 109.5° |
N2 | C2 | H2 | 106.6° | 109.6° |
C2 | N2 | C7 | 130.1° | 119.9° |
C2 | N2 | HN2 | 115.0° | 120.1° |
C4 | C3 | O3 | 109.5° | 109.5° |
C4 | C3 | H3 | 107.8° | 109.6° |
C3 | C4 | C5 | 110.4° | 109.2° |
C3 | C4 | O4 | 106.6° | 109.5° |
C3 | C4 | H4 | 109.0° | 109.5° |
O3 | C3 | H3 | 109.6° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 111.8° | 109.5° |
C5 | C4 | H4 | 108.7° | 109.5° |
C4 | C5 | C6 | 114.8° | 109.5° |
C4 | C5 | O5 | 113.1° | 109.4° |
C4 | C5 | H5 | 106.3° | 109.5° |
O4 | C4 | H4 | 110.3° | 109.6° |
C4 | O4 | HO4 | 109.5° | 113.9° |
C6 | C5 | O5 | 107.9° | 109.5° |
C6 | C5 | H5 | 106.6° | 109.5° |
C5 | C6 | O6 | 112.4° | 109.5° |
C5 | C6 | H61 | 108.7° | 109.5° |
C5 | C6 | H62 | 108.7° | 109.5° |
O5 | C5 | H5 | 107.7° | 109.4° |
O6 | C6 | H61 | 108.7° | 109.4° |
O6 | C6 | H62 | 108.7° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.4° |
C8 | C7 | N2 | 115.2° | 120.0° |
C8 | C7 | O7 | 108.0° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.5° |
C7 | C8 | H82 | 109.5° | 109.5° |
C7 | C8 | H83 | 109.5° | 109.5° |
N2 | C7 | O7 | 103.5° | 120.0° |
C7 | N2 | HN2 | 114.9° | 120.0° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.4° | 109.4° |
H82 | C8 | H83 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 124.0° | 120.0° |
C2 | C1 | O5 | H1 | 114.6° | 119.9° |
C2 | C1 | O1 | H1 | 116.7° | 120.0° |
C1 | C2 | C3 | N2 | 130.1° | 119.9° |
C1 | C2 | C3 | H2 | 114.2° | 119.9° |
C1 | C2 | N2 | H2 | 116.8° | 120.2° |
C1 | C2 | C3 | C4 | 55.6° | 57.0° |
C1 | C2 | C3 | O3 | 177.7° | 176.9° |
C1 | C2 | C3 | H3 | 62.4° | 62.9° |
C2 | C1 | O5 | C5 | 45.2° | 61.2° |
C1 | C2 | N2 | C7 | 118.9° | 85.0° |
C1 | C2 | N2 | HN2 | 61.1° | 95.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O5 | C1 | O1 | H1 | 118.2° | 120.0° |
O5 | C1 | C2 | C3 | 7.6° | 57.6° |
O5 | C1 | C2 | N2 | 135.9° | 177.5° |
O5 | C1 | C2 | H2 | 106.7° | 62.3° |
C1 | O5 | C5 | C4 | 46.6° | 61.1° |
C1 | O5 | C5 | C6 | 81.6° | 178.8° |
C1 | O5 | C5 | H5 | 163.7° | 58.9° |
O5 | C1 | O1 | HO1 | 54.8° | 60.0° |
O1 | C1 | C2 | C3 | 116.4° | 62.4° |
O1 | C1 | C2 | N2 | 11.9° | 57.5° |
O1 | C1 | C2 | H2 | 129.3° | 177.7° |
O1 | C1 | O5 | C5 | 169.2° | 58.8° |
H1 | C1 | C2 | C3 | 122.9° | 177.5° |
H1 | C1 | C2 | N2 | 108.7° | 62.6° |
H1 | C1 | C2 | H2 | 8.6° | 57.6° |
H1 | C1 | O5 | C5 | 69.4° | 178.9° |
H1 | C1 | O1 | HO1 | 63.3° | 60.0° |
C3 | C2 | N2 | H2 | 115.3° | 120.2° |
C2 | C3 | C4 | O3 | 122.8° | 119.8° |
C2 | C3 | C4 | H3 | 118.0° | 119.9° |
C2 | C3 | O3 | H3 | 118.9° | 120.2° |
C2 | C3 | C4 | C5 | 54.2° | 57.0° |
C2 | C3 | C4 | O4 | 175.8° | 176.9° |
C2 | C3 | C4 | H4 | 65.2° | 62.9° |
C3 | C2 | N2 | C7 | 113.2° | 155.3° |
C3 | C2 | N2 | HN2 | 66.8° | 24.7° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
N2 | C2 | C3 | C4 | 174.3° | 176.9° |
N2 | C2 | C3 | O3 | 52.2° | 63.2° |
N2 | C2 | C3 | H3 | 67.7° | 57.0° |
C2 | N2 | C7 | C8 | 24.2° | 180.0° |
C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
C2 | N2 | C7 | O7 | 141.9° | 0.0° |
H2 | C2 | C3 | C4 | 58.5° | 62.9° |
H2 | C2 | C3 | O3 | 63.5° | 57.0° |
H2 | C2 | C3 | H3 | 176.5° | 177.2° |
H2 | C2 | N2 | C7 | 2.1° | 35.2° |
H2 | C2 | N2 | HN2 | 177.9° | 144.8° |
C4 | C3 | O3 | H3 | 118.1° | 120.3° |
C3 | C4 | C5 | O4 | 118.5° | 119.9° |
C3 | C4 | C5 | H4 | 119.5° | 119.9° |
C3 | C4 | O4 | H4 | 118.2° | 120.2° |
C3 | C4 | C5 | C6 | 129.6° | 177.6° |
C3 | C4 | C5 | O5 | 5.2° | 57.6° |
C3 | C4 | C5 | H5 | 112.7° | 62.4° |
C4 | C3 | O3 | HO3 | 57.0° | 60.4° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | C5 | 177.0° | 176.8° |
O3 | C3 | C4 | O4 | 61.4° | 63.3° |
O3 | C3 | C4 | H4 | 57.6° | 57.0° |
H3 | C3 | C4 | C5 | 63.8° | 62.9° |
H3 | C3 | C4 | O4 | 57.8° | 57.0° |
H3 | C3 | C4 | H4 | 176.8° | 177.2° |
H3 | C3 | O3 | HO3 | 61.1° | 59.8° |
C5 | C4 | O4 | H4 | 121.1° | 120.1° |
C4 | C5 | C6 | O5 | 127.1° | 120.0° |
C4 | C5 | C6 | H5 | 117.5° | 120.1° |
C4 | C5 | O5 | H5 | 117.2° | 120.0° |
C4 | C5 | C6 | O6 | 175.9° | 175.0° |
C4 | C5 | C6 | H61 | 55.5° | 65.0° |
C4 | C5 | C6 | H62 | 63.7° | 55.0° |
C5 | C4 | O4 | HO4 | 59.3° | 60.3° |
O4 | C4 | C5 | C6 | 111.9° | 62.5° |
O4 | C4 | C5 | O5 | 123.7° | 177.5° |
O4 | C4 | C5 | H5 | 5.8° | 57.5° |
H4 | C4 | C5 | C6 | 10.1° | 57.7° |
H4 | C4 | C5 | O5 | 114.3° | 62.3° |
H4 | C4 | C5 | H5 | 127.8° | 177.7° |
H4 | C4 | O4 | HO4 | 61.8° | 59.8° |
C6 | C5 | O5 | H5 | 114.7° | 120.0° |
C5 | C6 | O6 | H61 | 120.4° | 120.0° |
C5 | C6 | O6 | H62 | 120.4° | 120.0° |
C5 | C6 | H61 | H62 | 118.7° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
O5 | C5 | C6 | O6 | 48.8° | 65.0° |
O5 | C5 | C6 | H61 | 71.6° | 55.0° |
O5 | C5 | C6 | H62 | 169.3° | 175.0° |
H5 | C5 | C6 | O6 | 66.6° | 55.0° |
H5 | C5 | C6 | H61 | 173.0° | 174.9° |
H5 | C5 | C6 | H62 | 53.8° | 65.1° |
O6 | C6 | H61 | H62 | 118.7° | 120.0° |
H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
H62 | C6 | O6 | HO6 | 59.6° | 59.9° |
C8 | C7 | N2 | O7 | 117.7° | 180.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 120.0° |
C8 | C7 | N2 | HN2 | 155.8° | 0.0° |
N2 | C7 | C8 | H81 | 115.1° | 89.9° |
N2 | C7 | C8 | H82 | 124.9° | 150.0° |
N2 | C7 | C8 | H83 | 4.9° | 30.0° |
O7 | C7 | C8 | H81 | 0.0° | 90.1° |
O7 | C7 | C8 | H82 | 120.0° | 30.0° |
O7 | C7 | C8 | H83 | 120.0° | 150.0° |
O7 | C7 | N2 | HN2 | 38.1° | 180.0° |
H81 | C8 | H82 | H83 | 120.0° | 119.9° |