GB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.45Å | |
| C | O | sing | 1.44Å | 1.41Å | |
| C | C1 | sing | 1.55Å | 1.52Å | |
| N | C5 | sing | 1.37Å | 1.43Å | Aromatic |
| N | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C3 | sing | 1.44Å | 1.45Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | O3 | sing | 1.43Å | 1.42Å | |
| N1 | C5 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| O1 | C4 | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| N2 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N3 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C9 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C9 | sing | 1.39Å | 1.33Å | |
| C5 | N5 | sing | 1.38Å | 1.34Å | |
| N5 | C10 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| N6 | C14 | doub | 1.34Å | 1.37Å | Aromatic |
| N6 | C17 | sing | 1.31Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.41Å | Aromatic |
| C13 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.36Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O | 108.4° | 110.4° |
| N | C | C1 | 115.0° | 110.4° |
| C | N | C5 | 127.1° | 126.3° |
| C | N | C7 | 125.9° | 126.3° |
| N | C | H | 109.4° | 110.3° |
| O | C | C1 | 105.3° | 104.8° |
| C | O | C3 | 108.9° | 105.3° |
| O | C | H | 110.0° | 110.4° |
| C | C1 | C2 | 100.1° | 104.0° |
| C | C1 | O3 | 111.7° | 110.5° |
| C1 | C | H | 108.5° | 110.4° |
| C | C1 | H1 | 110.0° | 110.5° |
| C5 | N | C7 | 106.6° | 107.5° |
| N | C5 | N1 | 110.4° | 109.7° |
| N | C5 | N5 | 124.6° | 125.2° |
| N | C7 | N2 | 127.7° | 134.8° |
| N | C7 | C6 | 105.6° | 106.2° |
| O | C3 | C2 | 106.3° | 104.8° |
| O | C3 | C4 | 109.3° | 110.4° |
| O | C3 | H3 | 109.4° | 110.4° |
| C2 | C1 | O3 | 113.0° | 110.5° |
| C1 | C2 | O2 | 110.9° | 110.5° |
| C1 | C2 | C3 | 102.5° | 104.1° |
| C2 | C1 | H1 | 110.0° | 110.5° |
| C1 | C2 | H2 | 110.0° | 110.6° |
| O3 | C1 | H1 | 111.5° | 110.6° |
| C1 | O3 | HO3 | 109.5° | 114.0° |
| C5 | N1 | C6 | 106.3° | 109.4° |
| N1 | C5 | N5 | 125.0° | 125.1° |
| N1 | C6 | C7 | 111.0° | 107.2° |
| N1 | C6 | C9 | 132.0° | 134.6° |
| O1 | C4 | C3 | 111.2° | 109.5° |
| C4 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C4 | H4 | 109.1° | 109.4° |
| O1 | C4 | H4A | 109.0° | 109.4° |
| O2 | C2 | C3 | 111.7° | 110.5° |
| O2 | C2 | H2 | 111.5° | 110.4° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 114.9° | 110.4° |
| C3 | C2 | H2 | 109.9° | 110.7° |
| C2 | C3 | H3 | 108.3° | 110.4° |
| C7 | N2 | C8 | 111.1° | 120.7° |
| N2 | C7 | C6 | 126.6° | 119.1° |
| N2 | C8 | N3 | 128.9° | 122.4° |
| N2 | C8 | H8 | 115.6° | 118.8° |
| C4 | C3 | H3 | 108.6° | 110.4° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H4A | 109.1° | 109.5° |
| C8 | N3 | C9 | 118.8° | 121.1° |
| N3 | C8 | H8 | 115.6° | 118.8° |
| N3 | C9 | N4 | 118.5° | 120.7° |
| N3 | C9 | C6 | 117.6° | 118.5° |
| N4 | C9 | C6 | 123.8° | 120.8° |
| C9 | N4 | HN4 | 109.5° | 120.0° |
| C9 | N4 | HN4A | 109.5° | 120.0° |
| C5 | N5 | C10 | 120.7° | 120.0° |
| C5 | N5 | HN5 | 106.6° | 120.0° |
| N5 | C10 | C11 | 111.6° | 109.5° |
| C10 | N5 | HN5 | 106.6° | 120.0° |
| N5 | C10 | H10 | 108.9° | 109.5° |
| N5 | C10 | H10A | 108.9° | 109.4° |
| C7 | C6 | C9 | 116.9° | 118.2° |
| C14 | N6 | C17 | 117.3° | 121.3° |
| N6 | C14 | C13 | 121.8° | 119.8° |
| N6 | C14 | C15 | 119.3° | 121.1° |
| N6 | C17 | C18 | 124.5° | 121.8° |
| N6 | C17 | H17 | 117.8° | 119.1° |
| C10 | C11 | C12 | 120.5° | 119.5° |
| C10 | C11 | C16 | 120.5° | 119.6° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 109.0° | 109.5° |
| C12 | C11 | C16 | 119.1° | 120.9° |
| C11 | C12 | C13 | 121.5° | 119.6° |
| C11 | C12 | H12 | 119.3° | 120.2° |
| C11 | C16 | C15 | 121.5° | 121.0° |
| C11 | C16 | H16 | 119.3° | 119.5° |
| C12 | C13 | C14 | 118.5° | 119.6° |
| C12 | C13 | C19 | 123.8° | 121.4° |
| C13 | C12 | H12 | 119.3° | 120.2° |
| C14 | C13 | C19 | 117.7° | 119.0° |
| C13 | C14 | C15 | 118.8° | 119.1° |
| C13 | C19 | C18 | 119.8° | 118.2° |
| C13 | C19 | H19 | 120.1° | 121.0° |
| C14 | C15 | C16 | 120.6° | 119.8° |
| C14 | C15 | H15 | 119.7° | 120.1° |
| C16 | C15 | H15 | 119.7° | 120.1° |
| C15 | C16 | H16 | 119.2° | 119.5° |
| C17 | C18 | C19 | 118.8° | 119.9° |
| C18 | C17 | H17 | 117.8° | 119.1° |
| C17 | C18 | H18 | 120.6° | 120.1° |
| C19 | C18 | H18 | 120.6° | 120.1° |
| C18 | C19 | H19 | 120.1° | 120.8° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| HN4 | N4 | HN4A | 109.5° | 120.0° |
| H10 | C10 | H10A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O | C1 | 123.6° | 118.9° |
| N | C | O | H | 119.7° | 122.2° |
| N | C | C1 | H | 122.9° | 122.3° |
| C | N | C5 | C7 | 172.6° | 179.7° |
| N | C | O | C3 | 152.1° | 159.3° |
| N | C | C1 | C2 | 159.8° | 142.8° |
| N | C | C1 | O3 | 80.2° | 98.6° |
| C | N | C5 | N1 | 171.7° | 180.0° |
| C | N | C7 | N2 | 7.0° | 0.1° |
| C | N | C5 | N5 | 8.7° | 0.0° |
| C | N | C7 | C6 | 171.5° | 180.0° |
| N | C | C1 | H1 | 44.1° | 24.2° |
| O | C | C1 | H | 117.8° | 118.9° |
| O | C | N | C5 | 61.4° | 136.5° |
| O | C | N | C7 | 127.3° | 43.2° |
| O | C | C1 | C2 | 40.6° | 23.9° |
| O | C | C1 | O3 | 160.5° | 142.6° |
| C | O | C3 | C2 | 4.3° | 40.5° |
| C | O | C3 | C4 | 128.8° | 159.3° |
| O | C | C1 | H1 | 75.2° | 94.7° |
| C | O | C3 | H3 | 112.5° | 78.3° |
| C1 | C | N | C5 | 56.1° | 108.1° |
| C1 | C | N | C7 | 115.2° | 72.2° |
| C1 | C | O | C3 | 28.5° | 40.5° |
| C | C1 | C2 | O3 | 119.0° | 118.7° |
| C | C1 | C2 | H1 | 115.8° | 118.6° |
| C | C1 | O3 | H1 | 123.5° | 122.7° |
| C | C1 | C2 | O2 | 82.9° | 118.7° |
| C | C1 | C2 | C3 | 36.4° | 0.1° |
| C | C1 | C2 | H2 | 153.3° | 118.8° |
| C | C1 | O3 | HO3 | 180.0° | 180.0° |
| N | C5 | N1 | N5 | 179.6° | 179.9° |
| N | C5 | N1 | C6 | 0.1° | 0.2° |
| C5 | N | C7 | N2 | 179.8° | 179.7° |
| N | C5 | N5 | C10 | 177.8° | 180.0° |
| C5 | N | C7 | C6 | 1.3° | 0.3° |
| C5 | N | C | H | 178.6° | 14.2° |
| N | C5 | N5 | HN5 | 60.6° | 0.0° |
| C7 | N | C5 | N1 | 0.9° | 0.3° |
| N | C7 | C6 | N1 | 1.3° | 0.2° |
| N | C7 | N2 | C6 | 178.2° | 179.9° |
| N | C7 | N2 | C8 | 177.7° | 180.0° |
| C7 | N | C5 | N5 | 178.7° | 179.8° |
| N | C7 | C6 | C9 | 177.1° | 179.8° |
| C7 | N | C | H | 7.3° | 165.5° |
| O | C3 | C2 | C1 | 21.2° | 24.0° |
| O | C3 | C4 | O1 | 59.5° | 66.4° |
| O | C3 | C2 | O2 | 97.6° | 142.7° |
| O | C3 | C2 | C4 | 121.0° | 118.8° |
| O | C3 | C2 | H3 | 117.5° | 118.8° |
| O | C3 | C4 | H3 | 119.3° | 122.3° |
| C3 | O | C | H | 88.3° | 78.4° |
| O | C3 | C2 | H2 | 138.1° | 94.8° |
| O | C3 | C4 | H4 | 179.8° | 53.5° |
| O | C3 | C4 | H4A | 60.7° | 173.6° |
| C2 | C1 | O3 | H1 | 124.5° | 122.7° |
| C1 | C2 | O2 | C3 | 113.7° | 114.6° |
| C1 | C2 | O2 | H2 | 122.9° | 122.6° |
| C1 | C2 | C3 | H2 | 116.9° | 118.8° |
| C1 | C2 | C3 | C4 | 99.7° | 142.9° |
| C2 | C1 | C | H | 77.2° | 94.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 138.7° | 94.8° |
| C2 | C1 | O3 | HO3 | 68.0° | 65.4° |
| O3 | C1 | C2 | O2 | 36.1° | 0.0° |
| O3 | C1 | C2 | C3 | 155.4° | 118.6° |
| O3 | C1 | C | H | 42.7° | 23.7° |
| O3 | C1 | C2 | H2 | 87.8° | 122.5° |
| N1 | C5 | N5 | C10 | 2.7° | 0.1° |
| C5 | N1 | C6 | C7 | 0.7° | 0.0° |
| C5 | N1 | C6 | C9 | 177.3° | 179.9° |
| N1 | C5 | N5 | HN5 | 118.9° | 180.0° |
| N1 | C6 | C7 | N2 | 179.8° | 179.8° |
| N1 | C6 | C9 | N3 | 179.4° | 179.6° |
| N1 | C6 | C9 | N4 | 2.3° | 0.0° |
| C6 | N1 | C5 | N5 | 179.4° | 179.9° |
| N1 | C6 | C7 | C9 | 178.3° | 180.0° |
| O1 | C4 | C3 | C2 | 59.7° | 178.2° |
| O1 | C4 | C3 | H4 | 120.3° | 120.0° |
| O1 | C4 | C3 | H4A | 120.3° | 120.0° |
| O1 | C4 | C3 | H3 | 178.8° | 55.9° |
| O1 | C4 | H4 | H4A | 119.2° | 120.0° |
| O2 | C2 | C3 | H2 | 124.3° | 122.6° |
| O2 | C2 | C3 | C4 | 141.5° | 98.5° |
| O2 | C2 | C1 | H1 | 161.3° | 122.7° |
| O2 | C2 | C3 | H3 | 19.9° | 23.8° |
| C2 | C3 | C4 | H3 | 121.4° | 122.3° |
| C3 | C2 | C1 | H1 | 79.3° | 118.6° |
| C3 | C2 | O2 | HO2 | 66.3° | 65.4° |
| C2 | C3 | C4 | H4 | 60.5° | 61.9° |
| C2 | C3 | C4 | H4A | 180.0° | 58.2° |
| C7 | N2 | C8 | N3 | 0.5° | 0.1° |
| N2 | C7 | C6 | C9 | 1.4° | 0.2° |
| C7 | N2 | C8 | H8 | 179.5° | 180.0° |
| N2 | C8 | N3 | H8 | 180.0° | 179.9° |
| N2 | C8 | N3 | C9 | 0.3° | 0.3° |
| C8 | N2 | C7 | C6 | 0.4° | 0.1° |
| C3 | C4 | O1 | HO1 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 17.1° | 24.1° |
| C3 | C4 | H4 | H4A | 119.2° | 120.0° |
| C8 | N3 | C9 | N4 | 176.6° | 180.0° |
| C8 | N3 | C9 | C6 | 0.7° | 0.5° |
| N3 | C9 | N4 | C6 | 177.1° | 179.5° |
| N3 | C9 | C6 | C7 | 1.5° | 0.5° |
| N3 | C9 | N4 | HN4 | 0.0° | 0.1° |
| N3 | C9 | N4 | HN4A | 120.0° | 180.0° |
| C9 | N3 | C8 | H8 | 179.6° | 179.8° |
| N4 | C9 | C6 | C7 | 175.7° | 180.0° |
| C9 | N4 | HN4 | HN4A | 120.0° | 180.0° |
| C5 | N5 | C10 | HN5 | 121.6° | 179.9° |
| C5 | N5 | C10 | C11 | 98.0° | 180.0° |
| C5 | N5 | C10 | H10 | 22.3° | 59.9° |
| C5 | N5 | C10 | H10A | 141.6° | 60.0° |
| N5 | C10 | C11 | H10 | 120.3° | 120.0° |
| N5 | C10 | C11 | H10A | 120.3° | 119.9° |
| N5 | C10 | C11 | C12 | 141.0° | 90.1° |
| N5 | C10 | C11 | C16 | 38.2° | 90.0° |
| N5 | C10 | H10 | H10A | 119.0° | 119.9° |
| C6 | C9 | N4 | HN4 | 177.1° | 179.6° |
| C6 | C9 | N4 | HN4A | 62.9° | 0.4° |
| N6 | C14 | C13 | C12 | 179.7° | 180.0° |
| N6 | C14 | C13 | C15 | 179.4° | 180.0° |
| N6 | C14 | C13 | C19 | 0.3° | 0.0° |
| N6 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | N6 | C17 | C18 | 0.1° | 0.0° |
| N6 | C14 | C15 | H15 | 0.5° | 0.1° |
| C14 | N6 | C17 | H17 | 179.9° | 180.0° |
| C17 | N6 | C14 | C13 | 0.3° | 0.0° |
| C17 | N6 | C14 | C15 | 179.1° | 180.0° |
| N6 | C17 | C18 | H17 | 180.0° | 180.0° |
| N6 | C17 | C18 | C19 | 0.1° | 0.0° |
| N6 | C17 | C18 | H18 | 179.8° | 180.0° |
| C10 | C11 | C12 | C16 | 179.2° | 179.9° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C16 | C15 | 179.1° | 180.0° |
| C11 | C10 | N5 | HN5 | 140.4° | 0.1° |
| C11 | C10 | H10 | H10A | 119.0° | 120.0° |
| C10 | C11 | C12 | H12 | 0.6° | 0.1° |
| C10 | C11 | C16 | H16 | 0.9° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | C19 | 179.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C10 | H10 | 20.7° | 30.0° |
| C12 | C11 | C10 | H10A | 98.7° | 150.0° |
| C12 | C11 | C16 | H16 | 179.9° | 180.0° |
| C16 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C11 | C10 | H10 | 158.5° | 150.0° |
| C16 | C11 | C10 | H10A | 82.1° | 29.9° |
| C16 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C16 | C15 | H15 | 179.9° | 179.9° |
| C12 | C13 | C14 | C19 | 179.4° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C19 | C18 | 179.5° | 180.0° |
| C12 | C13 | C19 | H19 | 0.6° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C19 | C18 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 179.6° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C19 | H19 | 179.9° | 180.0° |
| C19 | C13 | C14 | C15 | 179.1° | 180.0° |
| C13 | C19 | C18 | C17 | 0.1° | 0.0° |
| C13 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C13 | C12 | H12 | 1.0° | 0.0° |
| C13 | C19 | C18 | H18 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| H | C | C1 | H1 | 167.0° | 146.5° |
| H1 | C1 | C2 | H2 | 37.5° | 0.2° |
| H1 | C1 | O3 | HO3 | 56.5° | 57.3° |
| HO1 | O1 | C4 | H4 | 59.7° | 59.9° |
| HO1 | O1 | C4 | H4A | 59.8° | 60.1° |
| H2 | C2 | O2 | HO2 | 57.0° | 57.4° |
| H2 | C2 | C3 | H3 | 104.4° | 146.4° |
| H3 | C3 | C4 | H4 | 60.9° | 175.8° |
| H3 | C3 | C4 | H4A | 58.6° | 64.1° |
| HN5 | N5 | C10 | H10 | 99.3° | 120.0° |
| HN5 | N5 | C10 | H10A | 20.1° | 120.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
