GP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.34Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| N2 | C1 | doub | 1.30Å | 1.35Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.48Å | 1.42Å | |
| C2 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N3 | sing | 1.40Å | 1.35Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N3 | C8 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C8 | O1 | doub | 1.22Å | 1.25Å | |
| C8 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C9 | sing | 1.40Å | 1.33Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| O2 | C15 | sing | 1.36Å | 1.36Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN11 | 119.8° | 120.0° |
| C1 | N1 | HN12 | 108.5° | 120.0° |
| N1 | C1 | N2 | 119.8° | 120.0° |
| N1 | C1 | C2 | 120.6° | 120.0° |
| HN11 | N1 | HN12 | 108.6° | 120.0° |
| C1 | N2 | HN2 | 119.9° | 120.0° |
| N2 | C1 | C2 | 118.5° | 120.0° |
| C1 | C2 | C3 | 121.3° | 120.1° |
| C1 | C2 | C7 | 121.7° | 120.0° |
| C3 | C2 | C7 | 117.0° | 119.9° |
| C2 | C3 | C4 | 121.6° | 119.9° |
| C2 | C3 | H3 | 119.5° | 120.1° |
| C2 | C7 | C6 | 122.4° | 119.9° |
| C2 | C7 | H7 | 119.4° | 120.0° |
| C4 | C3 | H3 | 118.9° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C4 | C5 | N3 | 120.1° | 120.0° |
| C6 | C5 | N3 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C5 | C6 | H6 | 120.6° | 119.9° |
| C5 | N3 | C8 | 125.8° | 120.0° |
| C5 | N3 | HN3 | 106.4° | 120.0° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 118.2° | 120.0° |
| C8 | N3 | HN3 | 106.5° | 120.0° |
| N3 | C8 | O1 | 122.2° | 120.0° |
| N3 | C8 | N4 | 116.9° | 120.0° |
| O1 | C8 | N4 | 120.8° | 120.0° |
| C8 | N4 | C9 | 126.3° | 120.0° |
| C8 | N4 | HN4 | 116.7° | 120.1° |
| C9 | N4 | HN4 | 117.0° | 119.9° |
| N4 | C9 | C10 | 117.0° | 120.0° |
| N4 | C9 | C14 | 119.7° | 120.0° |
| C10 | C9 | C14 | 123.2° | 120.0° |
| C9 | C10 | C11 | 118.1° | 120.0° |
| C9 | C10 | H10 | 120.9° | 120.0° |
| C9 | C14 | C13 | 118.0° | 120.0° |
| C9 | C14 | H14 | 120.6° | 119.9° |
| C11 | C10 | H10 | 121.0° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.3° | 120.0° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | O2 | 121.1° | 120.0° |
| C13 | C12 | O2 | 119.1° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C12 | O2 | C15 | 130.2° | 106.8° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C13 | C14 | H14 | 121.4° | 120.0° |
| O2 | C15 | C16 | 118.0° | 120.1° |
| O2 | C15 | C20 | 122.5° | 120.0° |
| C16 | C15 | C20 | 119.5° | 119.9° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.1° |
| C15 | C20 | C19 | 119.9° | 119.9° |
| C15 | C20 | H20 | 120.3° | 120.1° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | C19 | 119.9° | 120.1° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.1° |
| C18 | C19 | H19 | 119.9° | 119.9° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN11 | HN12 | 125.3° | 179.8° |
| N1 | C1 | N2 | C2 | 167.9° | 180.0° |
| N1 | C1 | N2 | HN2 | 66.7° | 180.0° |
| N1 | C1 | C2 | C3 | 2.5° | 180.0° |
| N1 | C1 | C2 | C7 | 174.8° | 0.3° |
| HN11 | N1 | C1 | N2 | 179.9° | 179.8° |
| HN11 | N1 | C1 | C2 | 12.3° | 0.2° |
| HN12 | N1 | C1 | N2 | 54.7° | 0.1° |
| HN12 | N1 | C1 | C2 | 137.6° | 180.0° |
| N2 | C1 | C2 | C3 | 165.3° | 0.0° |
| N2 | C1 | C2 | C7 | 17.3° | 179.8° |
| HN2 | N2 | C1 | C2 | 125.4° | 0.0° |
| C1 | C2 | C3 | C7 | 177.5° | 179.8° |
| C1 | C2 | C3 | C4 | 177.2° | 180.0° |
| C1 | C2 | C3 | H3 | 2.9° | 0.0° |
| C1 | C2 | C7 | C6 | 177.1° | 179.8° |
| C1 | C2 | C7 | H7 | 2.9° | 0.2° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 0.4° | 0.5° |
| C3 | C2 | C7 | H7 | 179.6° | 179.9° |
| C7 | C2 | C3 | C4 | 0.3° | 0.2° |
| C7 | C2 | C3 | H3 | 179.6° | 179.8° |
| C2 | C7 | C6 | C5 | 0.2° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | H6 | 179.9° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | N3 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | N3 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C4 | C5 | N3 | C8 | 55.3° | 33.1° |
| C4 | C5 | N3 | HN3 | 179.5° | 146.9° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | N3 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C5 | N3 | C8 | 124.6° | 146.8° |
| C6 | C5 | N3 | HN3 | 0.6° | 33.2° |
| N3 | C5 | C6 | C7 | 180.0° | 179.8° |
| N3 | C5 | C6 | H6 | 0.0° | 0.0° |
| C5 | N3 | C8 | HN3 | 125.2° | 180.0° |
| C5 | N3 | C8 | O1 | 4.2° | 5.9° |
| C5 | N3 | C8 | N4 | 175.0° | 174.2° |
| H6 | C6 | C7 | H7 | 0.2° | 0.2° |
| N3 | C8 | O1 | N4 | 179.1° | 179.9° |
| N3 | C8 | N4 | C9 | 178.8° | 175.1° |
| N3 | C8 | N4 | HN4 | 1.2° | 5.0° |
| HN3 | N3 | C8 | O1 | 129.4° | 174.1° |
| HN3 | N3 | C8 | N4 | 49.8° | 5.8° |
| O1 | C8 | N4 | C9 | 2.0° | 4.8° |
| O1 | C8 | N4 | HN4 | 178.0° | 175.1° |
| C8 | N4 | C9 | HN4 | 180.0° | 179.9° |
| C8 | N4 | C9 | C10 | 131.6° | 33.1° |
| C8 | N4 | C9 | C14 | 53.1° | 147.2° |
| N4 | C9 | C10 | C14 | 175.2° | 179.7° |
| N4 | C9 | C10 | C11 | 175.4° | 179.9° |
| N4 | C9 | C10 | H10 | 4.6° | 0.0° |
| N4 | C9 | C14 | C13 | 175.2° | 179.8° |
| N4 | C9 | C14 | H14 | 4.8° | 0.3° |
| HN4 | N4 | C9 | C10 | 48.4° | 147.0° |
| HN4 | N4 | C9 | C14 | 126.9° | 32.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.5° |
| C10 | C9 | C14 | H14 | 179.8° | 180.0° |
| C14 | C9 | C10 | C11 | 0.3° | 0.3° |
| C14 | C9 | C10 | H10 | 179.8° | 179.7° |
| C9 | C14 | C13 | C12 | 0.3° | 0.5° |
| C9 | C14 | C13 | H14 | 180.0° | 179.5° |
| C9 | C14 | C13 | H13 | 179.7° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.1° |
| C10 | C11 | C12 | O2 | 179.0° | 180.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| C11 | C12 | C13 | O2 | 179.6° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.2° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C11 | C12 | O2 | C15 | 66.0° | 5.3° |
| H11 | C11 | C12 | C13 | 179.5° | 179.9° |
| H11 | C11 | C12 | O2 | 1.0° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | O2 | C15 | 114.4° | 174.7° |
| O2 | C12 | C13 | C14 | 178.9° | 179.8° |
| O2 | C12 | C13 | H13 | 1.1° | 0.1° |
| C12 | O2 | C15 | C16 | 172.7° | 88.8° |
| C12 | O2 | C15 | C20 | 7.6° | 91.5° |
| H13 | C13 | C14 | H14 | 0.2° | 0.2° |
| O2 | C15 | C16 | C20 | 179.8° | 179.8° |
| O2 | C15 | C16 | C17 | 179.5° | 180.0° |
| O2 | C15 | C16 | H16 | 0.5° | 0.1° |
| O2 | C15 | C20 | C19 | 179.6° | 179.7° |
| O2 | C15 | C20 | H20 | 0.4° | 0.2° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C20 | C19 | 0.2° | 0.5° |
| C16 | C15 | C20 | H20 | 179.8° | 180.0° |
| C20 | C15 | C16 | C17 | 0.2° | 0.2° |
| C20 | C15 | C16 | H16 | 179.8° | 179.8° |
| C15 | C20 | C19 | C18 | 0.1° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.5° |
| C15 | C20 | C19 | H19 | 179.9° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| H16 | C16 | C17 | C18 | 180.0° | 179.9° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.3° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| H17 | C17 | C18 | C19 | 179.7° | 179.9° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 179.7° | 179.8° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.2° |
