NNG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
C2 | N2 | sing | 1.44Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.10Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.10Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.10Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.10Å | 1.10Å | |
C6 | O6 | sing | 1.42Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
P7 | C8 | sing | 1.79Å | 1.79Å | |
P7 | O71 | doub | 1.50Å | 1.50Å | |
P7 | O72 | sing | 1.62Å | 1.60Å | |
P7 | N2 | sing | 1.65Å | 1.63Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
N2 | HN21 | sing | 1.02Å | 1.00Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | P | sing | 1.62Å | 1.62Å | |
O72 | HO72 | sing | 0.98Å | 0.95Å | |
P | O1P | doub | 1.50Å | 1.47Å | |
P | O2P | sing | 1.62Å | 1.60Å | |
P | O3P | sing | 1.62Å | 1.60Å | |
O2P | HO2P | sing | 0.98Å | 0.95Å | |
O3P | HO3P | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.8° | 110.5° |
C2 | C1 | O5 | 110.4° | 109.9° |
C2 | C1 | H1 | 108.1° | 110.1° |
C1 | C2 | N2 | 109.0° | 111.1° |
C1 | C2 | C3 | 110.2° | 110.8° |
C1 | C2 | H2 | 109.1° | 108.4° |
O1 | C1 | O5 | 109.8° | 112.0° |
O1 | C1 | H1 | 108.6° | 107.1° |
C1 | O1 | HO1 | 109.5° | 106.5° |
O5 | C1 | H1 | 109.1° | 107.1° |
C1 | O5 | C5 | 111.5° | 113.4° |
N2 | C2 | C3 | 109.0° | 111.3° |
N2 | C2 | H2 | 110.3° | 107.3° |
C2 | N2 | P7 | 121.2° | 118.6° |
C2 | N2 | HN21 | 105.7° | 108.0° |
C3 | C2 | H2 | 109.1° | 107.7° |
C2 | C3 | O3 | 109.5° | 108.7° |
C2 | C3 | C4 | 110.7° | 110.5° |
C2 | C3 | H3 | 108.3° | 111.6° |
O3 | C3 | C4 | 108.6° | 108.7° |
O3 | C3 | H3 | 110.4° | 107.0° |
C3 | O3 | HO3 | 109.5° | 106.3° |
C4 | C3 | H3 | 109.2° | 110.3° |
C3 | C4 | C5 | 109.7° | 111.3° |
C3 | C4 | O4 | 109.0° | 108.0° |
C3 | C4 | H4 | 109.6° | 109.4° |
C5 | C4 | O4 | 109.4° | 110.3° |
C5 | C4 | H4 | 109.2° | 110.4° |
C4 | C5 | O5 | 109.7° | 110.8° |
C4 | C5 | C6 | 109.9° | 112.1° |
C4 | C5 | H5 | 108.8° | 110.4° |
O4 | C4 | H4 | 110.0° | 107.3° |
C4 | O4 | HO4 | 109.5° | 106.5° |
O5 | C5 | C6 | 108.8° | 107.0° |
O5 | C5 | H5 | 109.9° | 109.4° |
C6 | C5 | H5 | 109.7° | 107.0° |
C5 | C6 | O6 | 109.0° | 108.6° |
C5 | C6 | H61 | 109.6° | 109.9° |
C5 | C6 | H62 | 109.8° | 109.9° |
O6 | C6 | H61 | 109.6° | 109.4° |
O6 | C6 | H62 | 109.7° | 109.4° |
C6 | O6 | P | 109.5° | 118.5° |
H61 | C6 | H62 | 109.1° | 109.7° |
C8 | P7 | O71 | 107.9° | 111.3° |
C8 | P7 | O72 | 113.8° | 101.3° |
C8 | P7 | N2 | 113.4° | 105.5° |
P7 | C8 | H81 | 109.5° | 110.1° |
P7 | C8 | H82 | 109.5° | 110.0° |
P7 | C8 | H83 | 109.4° | 110.1° |
O71 | P7 | O72 | 108.1° | 111.4° |
O71 | P7 | N2 | 106.2° | 118.3° |
O72 | P7 | N2 | 107.0° | 107.5° |
P7 | O72 | HO72 | 109.5° | 118.8° |
P7 | N2 | HN21 | 105.7° | 116.5° |
H81 | C8 | H82 | 109.5° | 108.8° |
H81 | C8 | H83 | 109.5° | 108.9° |
H82 | C8 | H83 | 109.5° | 108.8° |
O6 | P | O1P | 107.5° | 114.9° |
O6 | P | O2P | 110.0° | 103.7° |
O6 | P | O3P | 110.8° | 103.0° |
O1P | P | O2P | 110.1° | 115.3° |
O1P | P | O3P | 109.6° | 115.0° |
O2P | P | O3P | 108.8° | 103.3° |
P | O2P | HO2P | 109.5° | 118.9° |
P | O3P | HO3P | 109.5° | 118.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.2° | 122.9° |
C2 | C1 | O1 | H1 | 118.5° | 120.0° |
C2 | C1 | O5 | H1 | 118.6° | 119.6° |
C1 | C2 | N2 | C3 | 120.4° | 124.1° |
C1 | C2 | N2 | H2 | 119.8° | 118.3° |
C1 | C2 | C3 | H2 | 119.8° | 118.4° |
C1 | C2 | C3 | O3 | 171.3° | 170.8° |
C1 | C2 | C3 | C4 | 51.5° | 51.6° |
C1 | C2 | C3 | H3 | 68.2° | 71.5° |
C2 | C1 | O5 | C5 | 62.7° | 61.5° |
C1 | C2 | N2 | P7 | 139.2° | 88.3° |
C1 | C2 | N2 | HN21 | 100.8° | 47.0° |
C2 | C1 | O1 | HO1 | 69.5° | 43.6° |
O1 | C1 | O5 | H1 | 118.9° | 117.1° |
O1 | C1 | C2 | N2 | 53.2° | 56.7° |
O1 | C1 | C2 | C3 | 66.4° | 67.7° |
O1 | C1 | C2 | H2 | 173.8° | 174.4° |
O1 | C1 | O5 | C5 | 59.8° | 61.8° |
O5 | C1 | C2 | N2 | 175.1° | 179.2° |
O5 | C1 | C2 | C3 | 55.5° | 56.4° |
O5 | C1 | C2 | H2 | 64.3° | 61.5° |
C1 | O5 | C5 | C4 | 64.0° | 60.1° |
C1 | O5 | C5 | C6 | 175.7° | 177.5° |
C1 | O5 | C5 | H5 | 55.6° | 62.0° |
O5 | C1 | O1 | HO1 | 168.3° | 166.5° |
H1 | C1 | C2 | N2 | 65.6° | 61.4° |
H1 | C1 | C2 | C3 | 174.7° | 174.2° |
H1 | C1 | C2 | H2 | 54.9° | 56.2° |
H1 | C1 | O5 | C5 | 178.7° | 178.9° |
H1 | C1 | O1 | HO1 | 49.0° | 76.4° |
N2 | C2 | C3 | H2 | 120.6° | 117.4° |
N2 | C2 | C3 | O3 | 69.1° | 64.9° |
N2 | C2 | C3 | C4 | 171.1° | 175.9° |
N2 | C2 | C3 | H3 | 51.4° | 52.8° |
C2 | N2 | P7 | C8 | 176.1° | 179.9° |
C2 | N2 | P7 | O71 | 65.5° | 54.7° |
C2 | N2 | P7 | O72 | 49.9° | 72.4° |
C2 | N2 | P7 | HN21 | 120.0° | 131.6° |
C2 | C3 | O3 | C4 | 121.0° | 120.3° |
C2 | C3 | O3 | H3 | 119.2° | 120.6° |
C2 | C3 | C4 | H3 | 119.2° | 123.8° |
C2 | C3 | C4 | C5 | 52.8° | 50.1° |
C2 | C3 | C4 | O4 | 172.6° | 171.3° |
C2 | C3 | C4 | H4 | 67.1° | 72.2° |
C3 | C2 | N2 | P7 | 100.5° | 147.6° |
C3 | C2 | N2 | HN21 | 19.5° | 77.1° |
C2 | C3 | O3 | HO3 | 171.8° | 65.3° |
H2 | C2 | C3 | O3 | 51.5° | 52.5° |
H2 | C2 | C3 | C4 | 68.3° | 66.7° |
H2 | C2 | C3 | H3 | 172.0° | 170.2° |
H2 | C2 | N2 | P7 | 19.4° | 30.0° |
H2 | C2 | N2 | HN21 | 139.4° | 165.3° |
O3 | C3 | C4 | H3 | 120.5° | 117.0° |
O3 | C3 | C4 | C5 | 173.1° | 169.3° |
O3 | C3 | C4 | O4 | 67.1° | 69.5° |
O3 | C3 | C4 | H4 | 53.2° | 47.0° |
C3 | C4 | C5 | O4 | 119.5° | 119.9° |
C3 | C4 | C5 | H4 | 120.1° | 121.7° |
C3 | C4 | O4 | H4 | 120.1° | 117.9° |
C3 | C4 | C5 | O5 | 58.4° | 53.4° |
C3 | C4 | C5 | C6 | 178.0° | 172.8° |
C3 | C4 | C5 | H5 | 61.9° | 68.1° |
C4 | C3 | O3 | HO3 | 50.8° | 55.0° |
C3 | C4 | O4 | HO4 | 145.3° | 43.0° |
H3 | C3 | C4 | C5 | 66.4° | 73.8° |
H3 | C3 | C4 | O4 | 53.3° | 47.5° |
H3 | C3 | C4 | H4 | 173.7° | 164.0° |
H3 | C3 | O3 | HO3 | 69.0° | 174.2° |
C5 | C4 | O4 | H4 | 119.9° | 120.3° |
C4 | C5 | O5 | C6 | 120.3° | 122.4° |
C4 | C5 | O5 | H5 | 119.6° | 122.0° |
C4 | C5 | C6 | H5 | 119.6° | 121.1° |
C4 | C5 | C6 | O6 | 53.0° | 179.5° |
C4 | C5 | C6 | H61 | 173.0° | 59.9° |
C4 | C5 | C6 | H62 | 67.2° | 60.9° |
C5 | C4 | O4 | HO4 | 25.3° | 164.9° |
O4 | C4 | C5 | O5 | 177.8° | 173.3° |
O4 | C4 | C5 | C6 | 62.5° | 67.3° |
O4 | C4 | C5 | H5 | 57.6° | 51.8° |
H4 | C4 | C5 | O5 | 61.8° | 68.3° |
H4 | C4 | C5 | C6 | 57.9° | 51.1° |
H4 | C4 | C5 | H5 | 178.0° | 170.2° |
H4 | C4 | O4 | HO4 | 94.6° | 74.8° |
O5 | C5 | C6 | H5 | 120.2° | 117.2° |
O5 | C5 | C6 | O6 | 67.2° | 57.8° |
O5 | C5 | C6 | H61 | 52.8° | 61.8° |
O5 | C5 | C6 | H62 | 172.6° | 177.4° |
C5 | C6 | O6 | H61 | 120.0° | 119.9° |
C5 | C6 | O6 | H62 | 120.2° | 119.9° |
C5 | C6 | H61 | H62 | 120.2° | 121.0° |
C5 | C6 | O6 | P | 179.5° | 179.9° |
H5 | C5 | C6 | O6 | 172.6° | 59.3° |
H5 | C5 | C6 | H61 | 67.4° | 178.9° |
H5 | C5 | C6 | H62 | 52.4° | 60.2° |
O6 | C6 | H61 | H62 | 120.2° | 119.9° |
C6 | O6 | P | O1P | 169.7° | 180.0° |
C6 | O6 | P | O2P | 70.4° | 53.3° |
C6 | O6 | P | O3P | 50.0° | 54.2° |
H61 | C6 | O6 | P | 59.5° | 60.1° |
H62 | C6 | O6 | P | 60.3° | 60.0° |
C8 | P7 | O71 | O72 | 123.5° | 112.3° |
C8 | P7 | O71 | N2 | 121.9° | 122.4° |
C8 | P7 | O72 | N2 | 126.1° | 110.4° |
P7 | C8 | H81 | H82 | 120.0° | 120.7° |
P7 | C8 | H81 | H83 | 120.0° | 120.8° |
P7 | C8 | H82 | H83 | 120.0° | 120.7° |
C8 | P7 | N2 | HN21 | 56.2° | 48.4° |
C8 | P7 | O72 | HO72 | 137.7° | 114.3° |
O71 | P7 | O72 | N2 | 114.1° | 131.1° |
O71 | P7 | C8 | H81 | 47.0° | 140.7° |
O71 | P7 | C8 | H82 | 167.0° | 99.3° |
O71 | P7 | C8 | H83 | 73.0° | 20.6° |
O71 | P7 | N2 | HN21 | 174.6° | 76.9° |
O71 | P7 | O72 | HO72 | 102.4° | 127.2° |
O72 | P7 | C8 | H81 | 73.0° | 22.1° |
O72 | P7 | C8 | H82 | 47.0° | 142.1° |
O72 | P7 | C8 | H83 | 167.0° | 98.0° |
O72 | P7 | N2 | HN21 | 70.1° | 156.0° |
N2 | P7 | C8 | H81 | 164.4° | 89.8° |
N2 | P7 | C8 | H82 | 75.6° | 30.2° |
N2 | P7 | C8 | H83 | 44.4° | 150.1° |
N2 | P7 | O72 | HO72 | 11.6° | 3.9° |
H81 | C8 | H82 | H83 | 120.0° | 118.5° |
O6 | P | O1P | O2P | 119.9° | 120.6° |
O6 | P | O1P | O3P | 120.5° | 119.3° |
O6 | P | O2P | O3P | 121.5° | 107.1° |
O6 | P | O2P | HO2P | 39.9° | 175.4° |
O6 | P | O3P | HO3P | 136.8° | 173.8° |
O1P | P | O2P | O3P | 120.2° | 126.3° |
O1P | P | O2P | HO2P | 78.4° | 48.9° |
O1P | P | O3P | HO3P | 104.8° | 48.1° |
O2P | P | O3P | HO3P | 15.7° | 78.5° |
O3P | P | O2P | HO2P | 161.5° | 77.5° |