G28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1B | sing | 1.35Å | 1.24Å | |
| C1 | O1A | doub | 1.22Å | 1.25Å | |
| C1 | C2 | sing | 1.47Å | 1.41Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.32Å | 1.37Å | |
| C2 | O6 | sing | 1.36Å | 1.42Å | |
| C3 | C4 | sing | 1.50Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | N4 | sing | 1.47Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | N5 | sing | 1.46Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.39Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C81 | sing | 1.46Å | 1.46Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| C81 | C82 | sing | 1.53Å | 1.53Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C82 | H821 | sing | 1.09Å | 1.10Å | |
| C82 | H822 | sing | 1.09Å | 1.10Å | |
| C82 | H823 | sing | 1.09Å | 1.10Å | |
| C9 | C91 | sing | 1.53Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C91 | H913 | sing | 1.09Å | 1.10Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | C1 | O1A | 120.8° | 120.0° |
| O1B | C1 | C2 | 116.5° | 120.1° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| O1A | C1 | C2 | 122.6° | 120.0° |
| C1 | C2 | C3 | 121.7° | 118.6° |
| C1 | C2 | O6 | 118.8° | 118.5° |
| C3 | C2 | O6 | 119.4° | 123.0° |
| C2 | C3 | C4 | 121.8° | 122.3° |
| C2 | C3 | H3 | 119.1° | 118.8° |
| C2 | O6 | C6 | 118.7° | 117.7° |
| C4 | C3 | H3 | 119.1° | 118.9° |
| C3 | C4 | C5 | 111.4° | 109.4° |
| C3 | C4 | N4 | 108.3° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C5 | C4 | N4 | 107.5° | 109.5° |
| C5 | C4 | H4 | 109.6° | 109.4° |
| C4 | C5 | N5 | 109.6° | 109.7° |
| C4 | C5 | C6 | 110.3° | 108.3° |
| C4 | C5 | H5 | 109.6° | 109.7° |
| N4 | C4 | H4 | 110.8° | 109.5° |
| C4 | N4 | HN41 | 109.5° | 111.0° |
| C4 | N4 | HN42 | 109.5° | 111.0° |
| N5 | C5 | C6 | 108.5° | 109.7° |
| N5 | C5 | H5 | 109.8° | 109.7° |
| C5 | N5 | C10 | 120.0° | 120.0° |
| C5 | N5 | HN5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 109.1° | 109.7° |
| C5 | C6 | O6 | 110.6° | 108.5° |
| C5 | C6 | C7 | 109.1° | 109.7° |
| C5 | C6 | H6 | 109.6° | 109.6° |
| C10 | N5 | HN5 | 120.0° | 120.0° |
| N5 | C10 | O10 | 121.5° | 120.0° |
| N5 | C10 | C11 | 116.8° | 120.0° |
| O10 | C10 | C11 | 121.7° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| O6 | C6 | C7 | 106.0° | 109.8° |
| O6 | C6 | H6 | 111.7° | 109.5° |
| C7 | C6 | H6 | 109.7° | 109.7° |
| C6 | C7 | O7 | 116.1° | 120.0° |
| C6 | C7 | N8 | 122.3° | 120.1° |
| O7 | C7 | N8 | 121.6° | 119.9° |
| C7 | N8 | C81 | 112.8° | 120.0° |
| C7 | N8 | C9 | 122.3° | 120.1° |
| C81 | N8 | C9 | 124.9° | 120.0° |
| N8 | C81 | C82 | 108.6° | 109.5° |
| N8 | C81 | H811 | 109.7° | 109.5° |
| N8 | C81 | H812 | 109.7° | 109.5° |
| N8 | C9 | C91 | 107.7° | 109.5° |
| N8 | C9 | H91 | 109.9° | 109.5° |
| N8 | C9 | H92 | 109.9° | 109.4° |
| C82 | C81 | H811 | 109.7° | 109.4° |
| C82 | C81 | H812 | 109.7° | 109.4° |
| C81 | C82 | H821 | 109.5° | 109.5° |
| C81 | C82 | H822 | 109.4° | 109.4° |
| C81 | C82 | H823 | 109.5° | 109.4° |
| H811 | C81 | H812 | 109.4° | 109.5° |
| H821 | C82 | H822 | 109.5° | 109.5° |
| H821 | C82 | H823 | 109.5° | 109.5° |
| H822 | C82 | H823 | 109.5° | 109.4° |
| C91 | C9 | H91 | 109.9° | 109.5° |
| C91 | C9 | H92 | 109.9° | 109.4° |
| C9 | C91 | H911 | 109.5° | 109.5° |
| C9 | C91 | H912 | 109.5° | 109.4° |
| C9 | C91 | H913 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H911 | C91 | H912 | 109.5° | 109.5° |
| H911 | C91 | H913 | 109.5° | 109.5° |
| H912 | C91 | H913 | 109.5° | 109.5° |
| HN41 | N4 | HN42 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | O1A | C2 | 176.6° | 179.8° |
| O1B | C1 | C2 | C3 | 173.1° | 180.0° |
| O1B | C1 | C2 | O6 | 4.8° | 0.4° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.1° |
| O1A | C1 | C2 | C3 | 3.6° | 0.2° |
| O1A | C1 | C2 | O6 | 178.5° | 179.5° |
| C2 | C1 | O1B | HO1B | 176.8° | 179.7° |
| C1 | C2 | C3 | O6 | 177.9° | 179.6° |
| C1 | C2 | C3 | C4 | 171.5° | 179.6° |
| C1 | C2 | C3 | H3 | 8.5° | 0.5° |
| C1 | C2 | O6 | C6 | 155.4° | 163.5° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 18.8° | 17.5° |
| C2 | C3 | C4 | N4 | 136.8° | 137.5° |
| C2 | C3 | C4 | H4 | 102.4° | 102.4° |
| C3 | C2 | O6 | C6 | 22.5° | 16.1° |
| O6 | C2 | C3 | C4 | 6.3° | 0.1° |
| O6 | C2 | C3 | H3 | 173.7° | 179.9° |
| C2 | O6 | C6 | C5 | 48.8° | 47.4° |
| C2 | O6 | C6 | C7 | 166.9° | 167.2° |
| C2 | O6 | C6 | H6 | 73.6° | 72.2° |
| C3 | C4 | C5 | N4 | 118.5° | 120.0° |
| C3 | C4 | C5 | H4 | 121.1° | 120.0° |
| C3 | C4 | N4 | H4 | 119.8° | 120.1° |
| C3 | C4 | C5 | N5 | 162.8° | 166.9° |
| C3 | C4 | C5 | C6 | 43.5° | 47.1° |
| C3 | C4 | C5 | H5 | 76.7° | 72.6° |
| C3 | C4 | N4 | HN41 | 180.0° | 60.0° |
| C3 | C4 | N4 | HN42 | 60.0° | 176.0° |
| H3 | C3 | C4 | C5 | 161.2° | 162.4° |
| H3 | C3 | C4 | N4 | 43.2° | 42.4° |
| H3 | C3 | C4 | H4 | 77.6° | 77.6° |
| C5 | C4 | N4 | H4 | 119.7° | 120.0° |
| C4 | C5 | N5 | C6 | 120.4° | 118.8° |
| C4 | C5 | N5 | H5 | 120.4° | 120.6° |
| C4 | C5 | C6 | H5 | 120.4° | 119.7° |
| C4 | C5 | N5 | C10 | 119.2° | 131.6° |
| C4 | C5 | N5 | HN5 | 60.9° | 48.5° |
| C4 | C5 | C6 | O6 | 59.6° | 62.8° |
| C4 | C5 | C6 | C7 | 175.8° | 177.3° |
| C4 | C5 | C6 | H6 | 64.0° | 56.7° |
| C5 | C4 | N4 | HN41 | 59.5° | 180.0° |
| C5 | C4 | N4 | HN42 | 60.5° | 56.1° |
| N4 | C4 | C5 | N5 | 78.7° | 73.1° |
| N4 | C4 | C5 | C6 | 161.9° | 167.1° |
| N4 | C4 | C5 | H5 | 41.8° | 47.4° |
| C4 | N4 | HN41 | HN42 | 120.0° | 123.9° |
| H4 | C4 | C5 | N5 | 41.8° | 46.9° |
| H4 | C4 | C5 | C6 | 77.6° | 72.8° |
| H4 | C4 | C5 | H5 | 162.3° | 167.4° |
| H4 | C4 | N4 | HN41 | 60.2° | 60.0° |
| H4 | C4 | N4 | HN42 | 179.8° | 63.9° |
| N5 | C5 | C6 | H5 | 119.6° | 120.6° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 1.0° | 0.0° |
| C5 | N5 | C10 | C11 | 179.7° | 180.0° |
| N5 | C5 | C6 | O6 | 179.6° | 177.5° |
| N5 | C5 | C6 | C7 | 64.2° | 57.6° |
| N5 | C5 | C6 | H6 | 56.0° | 63.0° |
| C6 | C5 | N5 | C10 | 120.4° | 109.6° |
| C6 | C5 | N5 | HN5 | 59.6° | 70.3° |
| C5 | C6 | O6 | C7 | 118.1° | 119.8° |
| C5 | C6 | O6 | H6 | 122.4° | 119.6° |
| C5 | C6 | C7 | H6 | 120.1° | 120.5° |
| C5 | C6 | C7 | O7 | 70.1° | 88.0° |
| C5 | C6 | C7 | N8 | 110.4° | 92.1° |
| H5 | C5 | N5 | C10 | 1.2° | 11.0° |
| H5 | C5 | N5 | HN5 | 178.8° | 169.0° |
| H5 | C5 | C6 | O6 | 60.8° | 56.9° |
| H5 | C5 | C6 | C7 | 55.4° | 63.0° |
| H5 | C5 | C6 | H6 | 175.6° | 176.4° |
| N5 | C10 | O10 | C11 | 179.3° | 180.0° |
| N5 | C10 | C11 | H111 | 179.3° | 0.0° |
| N5 | C10 | C11 | H112 | 59.3° | 120.0° |
| N5 | C10 | C11 | H113 | 60.7° | 120.0° |
| HN5 | N5 | C10 | O10 | 179.0° | 180.0° |
| HN5 | N5 | C10 | C11 | 0.3° | 0.0° |
| O10 | C10 | C11 | H111 | 0.0° | 180.0° |
| O10 | C10 | C11 | H112 | 120.0° | 60.0° |
| O10 | C10 | C11 | H113 | 120.0° | 60.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| O6 | C6 | C7 | H6 | 120.8° | 120.4° |
| O6 | C6 | C7 | O7 | 49.0° | 31.1° |
| O6 | C6 | C7 | N8 | 130.4° | 148.8° |
| C6 | C7 | O7 | N8 | 179.5° | 180.0° |
| C6 | C7 | N8 | C81 | 179.0° | 6.2° |
| C6 | C7 | N8 | C9 | 1.0° | 173.8° |
| H6 | C6 | C7 | O7 | 169.8° | 151.5° |
| H6 | C6 | C7 | N8 | 9.7° | 28.4° |
| O7 | C7 | N8 | C81 | 0.5° | 173.8° |
| O7 | C7 | N8 | C9 | 178.5° | 6.3° |
| C7 | N8 | C81 | C9 | 178.0° | 180.0° |
| C7 | N8 | C81 | C82 | 93.1° | 84.1° |
| C7 | N8 | C81 | H811 | 147.0° | 155.9° |
| C7 | N8 | C81 | H812 | 26.7° | 35.9° |
| C7 | N8 | C9 | C91 | 100.5° | 89.9° |
| C7 | N8 | C9 | H91 | 139.8° | 150.0° |
| C7 | N8 | C9 | H92 | 19.2° | 30.0° |
| N8 | C81 | C82 | H811 | 119.9° | 120.0° |
| N8 | C81 | C82 | H812 | 119.9° | 120.0° |
| N8 | C81 | H811 | H812 | 120.4° | 120.0° |
| N8 | C81 | C82 | H821 | 180.0° | 180.0° |
| N8 | C81 | C82 | H822 | 60.0° | 60.0° |
| N8 | C81 | C82 | H823 | 60.0° | 60.0° |
| C81 | N8 | C9 | C91 | 77.3° | 90.0° |
| C81 | N8 | C9 | H91 | 42.4° | 30.1° |
| C81 | N8 | C9 | H92 | 163.0° | 150.0° |
| C9 | N8 | C81 | C82 | 88.9° | 95.9° |
| C9 | N8 | C81 | H811 | 31.0° | 24.1° |
| C9 | N8 | C81 | H812 | 151.2° | 144.1° |
| N8 | C9 | C91 | H91 | 119.7° | 120.1° |
| N8 | C9 | C91 | H92 | 119.7° | 120.0° |
| N8 | C9 | H91 | H92 | 120.8° | 120.0° |
| N8 | C9 | C91 | H911 | 180.0° | 59.9° |
| N8 | C9 | C91 | H912 | 60.0° | 60.1° |
| N8 | C9 | C91 | H913 | 60.0° | 180.0° |
| C82 | C81 | H811 | H812 | 120.4° | 119.9° |
| C81 | C82 | H821 | H822 | 120.0° | 120.0° |
| C81 | C82 | H821 | H823 | 120.0° | 120.0° |
| C81 | C82 | H822 | H823 | 120.0° | 119.9° |
| H811 | C81 | C82 | H821 | 60.1° | 60.0° |
| H811 | C81 | C82 | H822 | 179.9° | 180.0° |
| H811 | C81 | C82 | H823 | 59.9° | 60.1° |
| H812 | C81 | C82 | H821 | 60.1° | 60.0° |
| H812 | C81 | C82 | H822 | 59.9° | 60.1° |
| H812 | C81 | C82 | H823 | 179.9° | 180.0° |
| H821 | C82 | H822 | H823 | 120.0° | 120.0° |
| C91 | C9 | H91 | H92 | 120.8° | 120.0° |
| C9 | C91 | H911 | H912 | 120.0° | 119.9° |
| C9 | C91 | H911 | H913 | 120.0° | 120.0° |
| C9 | C91 | H912 | H913 | 120.0° | 120.0° |
| H91 | C9 | C91 | H911 | 60.3° | 180.0° |
| H91 | C9 | C91 | H912 | 179.7° | 60.0° |
| H91 | C9 | C91 | H913 | 59.7° | 60.0° |
| H92 | C9 | C91 | H911 | 60.3° | 60.0° |
| H92 | C9 | C91 | H912 | 59.7° | 180.0° |
| H92 | C9 | C91 | H913 | 179.7° | 60.0° |
| H911 | C91 | H912 | H913 | 120.0° | 120.1° |
