G20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.21Å | 1.24Å | |
| C1 | O1B | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.47Å | 1.41Å | |
| O1B | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.32Å | 1.30Å | |
| C2 | O6 | sing | 1.34Å | 1.33Å | |
| C3 | C4 | sing | 1.51Å | 1.60Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.40Å | |
| C4 | NE | sing | 1.46Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | N5 | sing | 1.46Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.42Å | 1.40Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | doub | 1.21Å | 1.24Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C81 | sing | 1.46Å | 1.47Å | |
| N8 | C9 | sing | 1.47Å | 1.49Å | |
| C81 | H811 | sing | 1.09Å | 1.12Å | |
| C81 | H812 | sing | 1.09Å | 1.12Å | |
| C81 | H813 | sing | 1.09Å | 1.11Å | |
| C9 | C91 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C91 | C92 | sing | 1.53Å | 1.51Å | |
| C91 | H911 | sing | 1.09Å | 1.11Å | |
| C91 | H912 | sing | 1.09Å | 1.12Å | |
| C92 | H921 | sing | 1.09Å | 1.12Å | |
| C92 | H922 | sing | 1.09Å | 1.12Å | |
| C92 | H923 | sing | 1.09Å | 1.11Å | |
| NE | CZ | sing | 1.37Å | 1.40Å | |
| NE | HNE | sing | 0.97Å | 1.02Å | |
| CZ | NH1 | doub | 1.30Å | 1.33Å | |
| CZ | NH2 | sing | 1.37Å | 1.34Å | |
| NH1 | HN1 | sing | 0.97Å | 1.02Å | |
| NH2 | HN21 | sing | 0.97Å | 1.02Å | |
| NH2 | HN22 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.3° | 120.0° |
| O1A | C1 | C2 | 113.9° | 120.0° |
| O1B | C1 | C2 | 123.5° | 120.0° |
| C1 | O1B | HO1 | 122.4° | 120.0° |
| C1 | C2 | C3 | 121.1° | 116.7° |
| C1 | C2 | O6 | 127.8° | 116.8° |
| C3 | C2 | O6 | 110.3° | 126.5° |
| C2 | C3 | C4 | 124.5° | 122.2° |
| C2 | C3 | H3 | 106.9° | 118.9° |
| C2 | O6 | C6 | 120.6° | 110.2° |
| C4 | C3 | H3 | 128.6° | 118.9° |
| C3 | C4 | C5 | 110.1° | 108.2° |
| C3 | C4 | NE | 116.0° | 109.7° |
| C3 | C4 | H4 | 104.5° | 109.8° |
| C5 | C4 | NE | 109.9° | 109.8° |
| C5 | C4 | H4 | 111.4° | 109.7° |
| C4 | C5 | N5 | 112.8° | 109.8° |
| C4 | C5 | C6 | 107.1° | 107.4° |
| C4 | C5 | H5 | 110.7° | 109.8° |
| NE | C4 | H4 | 104.6° | 109.7° |
| C4 | NE | CZ | 132.3° | 120.0° |
| C4 | NE | HNE | 104.4° | 120.0° |
| N5 | C5 | C6 | 114.4° | 110.1° |
| N5 | C5 | H5 | 102.7° | 109.8° |
| C5 | N5 | C10 | 120.7° | 120.0° |
| C5 | N5 | HN5 | 123.8° | 120.0° |
| C6 | C5 | H5 | 109.0° | 109.8° |
| C5 | C6 | O6 | 110.3° | 109.4° |
| C5 | C6 | C7 | 102.6° | 109.5° |
| C5 | C6 | H6 | 113.1° | 109.5° |
| C10 | N5 | HN5 | 115.5° | 120.0° |
| N5 | C10 | O10 | 123.0° | 120.0° |
| N5 | C10 | C11 | 114.8° | 120.0° |
| O10 | C10 | C11 | 122.1° | 120.0° |
| C10 | C11 | H111 | 114.8° | 109.4° |
| C10 | C11 | H112 | 110.3° | 109.5° |
| C10 | C11 | H113 | 110.3° | 109.4° |
| H111 | C11 | H112 | 110.2° | 109.4° |
| H111 | C11 | H113 | 110.3° | 109.4° |
| H112 | C11 | H113 | 99.9° | 109.6° |
| O6 | C6 | C7 | 108.8° | 109.5° |
| O6 | C6 | H6 | 107.4° | 109.5° |
| C7 | C6 | H6 | 114.6° | 109.4° |
| C6 | C7 | O7 | 119.3° | 119.9° |
| C6 | C7 | N8 | 118.2° | 120.1° |
| O7 | C7 | N8 | 122.4° | 120.0° |
| C7 | N8 | C81 | 129.0° | 119.9° |
| C7 | N8 | C9 | 114.0° | 120.0° |
| C81 | N8 | C9 | 117.0° | 120.0° |
| N8 | C81 | H811 | 129.0° | 109.5° |
| N8 | C81 | H812 | 105.4° | 109.4° |
| N8 | C81 | H813 | 105.4° | 109.5° |
| N8 | C9 | C91 | 112.2° | 109.5° |
| N8 | C9 | H91 | 111.2° | 109.4° |
| N8 | C9 | H92 | 111.2° | 109.5° |
| H811 | C81 | H812 | 105.3° | 109.5° |
| H811 | C81 | H813 | 105.4° | 109.5° |
| H812 | C81 | H813 | 103.8° | 109.5° |
| C91 | C9 | H91 | 111.2° | 109.5° |
| C91 | C9 | H92 | 111.2° | 109.5° |
| C9 | C91 | C92 | 113.3° | 109.5° |
| C9 | C91 | H911 | 110.8° | 109.4° |
| C9 | C91 | H912 | 110.8° | 109.5° |
| H91 | C9 | H92 | 99.2° | 109.5° |
| C92 | C91 | H911 | 110.9° | 109.5° |
| C92 | C91 | H912 | 110.8° | 109.4° |
| C91 | C92 | H921 | 113.3° | 109.5° |
| C91 | C92 | H922 | 110.8° | 109.4° |
| C91 | C92 | H923 | 110.8° | 109.5° |
| H911 | C91 | H912 | 99.4° | 109.5° |
| H921 | C92 | H922 | 110.8° | 109.5° |
| H921 | C92 | H923 | 110.9° | 109.5° |
| H922 | C92 | H923 | 99.5° | 109.5° |
| CZ | NE | HNE | 104.2° | 119.9° |
| NE | CZ | NH1 | 119.7° | 120.0° |
| NE | CZ | NH2 | 120.4° | 120.1° |
| NH1 | CZ | NH2 | 119.7° | 119.9° |
| CZ | NH1 | HN1 | 24.4° | 120.0° |
| CZ | NH2 | HN21 | 120.4° | 120.1° |
| CZ | NH2 | HN22 | 108.3° | 119.9° |
| HN21 | NH2 | HN22 | 108.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 173.7° | 180.0° |
| O1A | C1 | O1B | HO1 | 180.0° | 0.1° |
| O1A | C1 | C2 | C3 | 177.8° | 0.0° |
| O1A | C1 | C2 | O6 | 8.7° | 180.0° |
| O1B | C1 | C2 | C3 | 8.0° | 179.9° |
| O1B | C1 | C2 | O6 | 177.1° | 0.0° |
| C2 | C1 | O1B | HO1 | 6.3° | 180.0° |
| C1 | C2 | C3 | O6 | 170.8° | 180.0° |
| C1 | C2 | C3 | C4 | 160.8° | 179.2° |
| C1 | C2 | C3 | H3 | 19.2° | 0.8° |
| C1 | C2 | O6 | C6 | 147.5° | 156.2° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 34.6° | 12.0° |
| C2 | C3 | C4 | NE | 160.3° | 131.7° |
| C2 | C3 | C4 | H4 | 85.1° | 107.7° |
| C3 | C2 | O6 | C6 | 42.5° | 23.8° |
| O6 | C2 | C3 | C4 | 28.4° | 0.9° |
| O6 | C2 | C3 | H3 | 151.6° | 179.2° |
| C2 | O6 | C6 | C5 | 60.1° | 56.9° |
| C2 | O6 | C6 | C7 | 171.9° | 177.0° |
| C2 | O6 | C6 | H6 | 63.6° | 63.1° |
| C3 | C4 | C5 | NE | 129.1° | 119.7° |
| C3 | C4 | C5 | H4 | 115.5° | 119.7° |
| C3 | C4 | NE | H4 | 114.6° | 120.7° |
| C3 | C4 | C5 | N5 | 171.5° | 162.3° |
| C3 | C4 | C5 | C6 | 44.7° | 42.6° |
| C3 | C4 | C5 | H5 | 74.0° | 76.7° |
| C3 | C4 | NE | CZ | 136.8° | 90.0° |
| C3 | C4 | NE | HNE | 11.6° | 89.9° |
| H3 | C3 | C4 | C5 | 145.4° | 168.1° |
| H3 | C3 | C4 | NE | 19.8° | 48.3° |
| H3 | C3 | C4 | H4 | 94.9° | 72.3° |
| C5 | C4 | NE | H4 | 119.7° | 120.6° |
| C4 | C5 | N5 | C6 | 122.8° | 118.0° |
| C4 | C5 | N5 | H5 | 119.2° | 120.9° |
| C4 | C5 | C6 | H5 | 119.8° | 119.4° |
| C4 | C5 | N5 | C10 | 94.7° | 136.1° |
| C4 | C5 | N5 | HN5 | 85.2° | 44.0° |
| C4 | C5 | C6 | O6 | 58.9° | 68.6° |
| C4 | C5 | C6 | C7 | 174.7° | 171.4° |
| C4 | C5 | C6 | H6 | 61.4° | 51.4° |
| C5 | C4 | NE | CZ | 97.5° | 151.3° |
| C5 | C4 | NE | HNE | 137.3° | 28.8° |
| NE | C4 | C5 | N5 | 59.4° | 78.0° |
| NE | C4 | C5 | C6 | 173.7° | 162.3° |
| NE | C4 | C5 | H5 | 55.0° | 43.0° |
| C4 | NE | CZ | HNE | 125.3° | 179.9° |
| C4 | NE | CZ | NH1 | 3.3° | 0.1° |
| C4 | NE | CZ | NH2 | 178.4° | 180.0° |
| H4 | C4 | C5 | N5 | 56.0° | 42.6° |
| H4 | C4 | C5 | C6 | 70.8° | 77.1° |
| H4 | C4 | C5 | H5 | 170.5° | 163.5° |
| H4 | C4 | NE | CZ | 22.2° | 30.7° |
| H4 | C4 | NE | HNE | 103.0° | 149.4° |
| N5 | C5 | C6 | H5 | 114.3° | 121.0° |
| C5 | N5 | C10 | HN5 | 179.9° | 180.0° |
| C5 | N5 | C10 | O10 | 1.2° | 3.9° |
| C5 | N5 | C10 | C11 | 174.6° | 176.1° |
| N5 | C5 | C6 | O6 | 175.3° | 171.9° |
| N5 | C5 | C6 | C7 | 59.5° | 51.8° |
| N5 | C5 | C6 | H6 | 64.5° | 68.2° |
| C6 | C5 | N5 | C10 | 142.5° | 105.9° |
| C6 | C5 | N5 | HN5 | 37.6° | 74.1° |
| C5 | C6 | O6 | C7 | 111.8° | 120.0° |
| C5 | C6 | O6 | H6 | 123.7° | 120.0° |
| C5 | C6 | C7 | H6 | 123.0° | 120.1° |
| C5 | C6 | C7 | O7 | 71.3° | 96.7° |
| C5 | C6 | C7 | N8 | 104.5° | 83.2° |
| H5 | C5 | N5 | C10 | 24.5° | 15.1° |
| H5 | C5 | N5 | HN5 | 155.6° | 164.9° |
| H5 | C5 | C6 | O6 | 60.9° | 50.8° |
| H5 | C5 | C6 | C7 | 54.9° | 69.2° |
| H5 | C5 | C6 | H6 | 178.8° | 170.8° |
| N5 | C10 | O10 | C11 | 175.5° | 180.0° |
| N5 | C10 | C11 | H111 | 180.0° | 176.4° |
| N5 | C10 | C11 | H112 | 54.8° | 56.5° |
| N5 | C10 | C11 | H113 | 54.7° | 63.7° |
| HN5 | N5 | C10 | O10 | 178.9° | 176.1° |
| HN5 | N5 | C10 | C11 | 5.3° | 3.9° |
| O10 | C10 | C11 | H111 | 4.2° | 3.6° |
| O10 | C10 | C11 | H112 | 121.0° | 123.5° |
| O10 | C10 | C11 | H113 | 129.5° | 116.3° |
| C10 | C11 | H111 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H113 | 125.4° | 119.9° |
| C10 | C11 | H112 | H113 | 116.1° | 120.1° |
| H111 | C11 | H112 | H113 | 116.1° | 120.0° |
| O6 | C6 | C7 | H6 | 120.2° | 120.0° |
| O6 | C6 | C7 | O7 | 45.5° | 23.2° |
| O6 | C6 | C7 | N8 | 138.7° | 156.9° |
| C6 | C7 | O7 | N8 | 175.6° | 179.9° |
| C6 | C7 | N8 | C81 | 0.4° | 5.7° |
| C6 | C7 | N8 | C9 | 177.9° | 174.2° |
| H6 | C6 | C7 | O7 | 165.7° | 143.2° |
| H6 | C6 | C7 | N8 | 18.5° | 36.9° |
| O7 | C7 | N8 | C81 | 176.1° | 174.3° |
| O7 | C7 | N8 | C9 | 2.2° | 5.7° |
| C7 | N8 | C81 | C9 | 178.3° | 180.0° |
| C7 | N8 | C81 | H811 | 179.9° | 5.3° |
| C7 | N8 | C81 | H812 | 54.7° | 114.7° |
| C7 | N8 | C81 | H813 | 54.7° | 125.3° |
| C7 | N8 | C9 | C91 | 58.7° | 90.0° |
| C7 | N8 | C9 | H91 | 176.1° | 150.0° |
| C7 | N8 | C9 | H92 | 66.5° | 30.0° |
| N8 | C81 | H811 | H812 | 125.2° | 120.0° |
| N8 | C81 | H811 | H813 | 125.4° | 120.1° |
| N8 | C81 | H812 | H813 | 110.6° | 120.0° |
| C81 | N8 | C9 | C91 | 119.8° | 90.0° |
| C81 | N8 | C9 | H91 | 5.4° | 30.0° |
| C81 | N8 | C9 | H92 | 114.9° | 150.0° |
| C9 | N8 | C81 | H811 | 1.7° | 174.7° |
| C9 | N8 | C81 | H812 | 123.5° | 65.3° |
| C9 | N8 | C81 | H813 | 127.1° | 54.6° |
| N8 | C9 | C91 | H91 | 125.2° | 120.0° |
| N8 | C9 | C91 | H92 | 125.3° | 120.0° |
| N8 | C9 | H91 | H92 | 117.1° | 120.0° |
| N8 | C9 | C91 | C92 | 166.4° | 180.0° |
| N8 | C9 | C91 | H911 | 68.3° | 60.0° |
| N8 | C9 | C91 | H912 | 41.1° | 60.0° |
| H811 | C81 | H812 | H813 | 110.6° | 120.0° |
| C91 | C9 | H91 | H92 | 117.1° | 120.0° |
| C9 | C91 | C92 | H911 | 125.3° | 120.0° |
| C9 | C91 | C92 | H912 | 125.3° | 120.0° |
| C9 | C91 | H911 | H912 | 116.7° | 120.0° |
| C9 | C91 | C92 | H921 | 180.0° | 180.0° |
| C9 | C91 | C92 | H922 | 54.8° | 60.0° |
| C9 | C91 | C92 | H923 | 54.7° | 60.0° |
| H91 | C9 | C91 | C92 | 41.2° | 60.0° |
| H91 | C9 | C91 | H911 | 166.5° | 180.0° |
| H91 | C9 | C91 | H912 | 84.1° | 60.0° |
| H92 | C9 | C91 | C92 | 68.4° | 60.0° |
| H92 | C9 | C91 | H911 | 57.0° | 60.0° |
| H92 | C9 | C91 | H912 | 166.4° | 180.0° |
| C92 | C91 | H911 | H912 | 116.6° | 120.0° |
| C91 | C92 | H921 | H922 | 125.2° | 120.0° |
| C91 | C92 | H921 | H923 | 125.3° | 120.0° |
| C91 | C92 | H922 | H923 | 116.7° | 120.0° |
| H911 | C91 | C92 | H921 | 54.7° | 60.0° |
| H911 | C91 | C92 | H922 | 179.9° | 60.0° |
| H911 | C91 | C92 | H923 | 70.6° | 180.0° |
| H912 | C91 | C92 | H921 | 54.7° | 60.0° |
| H912 | C91 | C92 | H922 | 70.5° | 180.0° |
| H912 | C91 | C92 | H923 | 180.0° | 60.0° |
| H921 | C92 | H922 | H923 | 116.7° | 120.0° |
| NE | CZ | NH1 | NH2 | 175.2° | 179.9° |
| NE | CZ | NH1 | HN1 | 9.9° | 180.0° |
| NE | CZ | NH2 | HN21 | 180.0° | 180.0° |
| NE | CZ | NH2 | HN22 | 54.8° | 0.1° |
| HNE | NE | CZ | NH1 | 128.6° | 180.0° |
| HNE | NE | CZ | NH2 | 56.3° | 0.1° |
| NH1 | CZ | NH2 | HN21 | 4.9° | 0.1° |
| NH1 | CZ | NH2 | HN22 | 130.1° | 180.0° |
| NH2 | CZ | NH1 | HN1 | 165.3° | 0.1° |
| CZ | NH2 | HN21 | HN22 | 125.2° | 180.0° |
