G4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N4 | sing | 1.37Å | 1.41Å | |
| C22 | N5 | doub | 1.29Å | 1.33Å | |
| N4 | C9 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.54Å | 1.33Å | |
| C9 | C5 | sing | 1.51Å | 1.48Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.44Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.49Å | |
| C1 | C10 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C13 | sing | 1.47Å | 1.46Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.46Å | Aromatic |
| C14 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C22 | N5 | 129.4° | 120.0° |
| C22 | N4 | C9 | 119.0° | 120.0° |
| C22 | N4 | H18 | 120.5° | 119.9° |
| N4 | C22 | H19 | 115.3° | 120.1° |
| C22 | N5 | H10 | 112.0° | 120.0° |
| N5 | C22 | H19 | 115.3° | 120.0° |
| N4 | C9 | C8 | 119.7° | 110.3° |
| N4 | C9 | C5 | 112.4° | 110.3° |
| N4 | C9 | H5 | 108.1° | 110.2° |
| C9 | N4 | H18 | 120.5° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C20 | C19 | C18 | 119.9° | 120.3° |
| C19 | C20 | H6 | 119.8° | 119.9° |
| C20 | C19 | H12 | 120.0° | 119.9° |
| C20 | C21 | C16 | 120.4° | 119.9° |
| C21 | C20 | H6 | 119.8° | 120.0° |
| C20 | C21 | H7 | 119.8° | 120.1° |
| C9 | C8 | C7 | 110.4° | 102.4° |
| C8 | C9 | C5 | 100.8° | 105.3° |
| C8 | C9 | H5 | 107.3° | 110.3° |
| C9 | C8 | H8 | 109.2° | 110.8° |
| C9 | C8 | H9 | 109.2° | 110.9° |
| C8 | C7 | C4 | 109.9° | 105.2° |
| C8 | C7 | H2 | 109.4° | 110.3° |
| C8 | C7 | H3 | 109.4° | 110.3° |
| C7 | C8 | H8 | 109.2° | 110.6° |
| C7 | C8 | H9 | 109.2° | 111.0° |
| C9 | C5 | C6 | 131.4° | 130.2° |
| C9 | C5 | C4 | 109.7° | 109.8° |
| C5 | C9 | H5 | 107.9° | 110.3° |
| C19 | C18 | C17 | 120.3° | 120.1° |
| C19 | C18 | H11 | 119.8° | 119.9° |
| C18 | C19 | H12 | 120.1° | 119.8° |
| C21 | C16 | C17 | 118.7° | 119.7° |
| C21 | C16 | C15 | 120.6° | 120.2° |
| C16 | C21 | H7 | 119.8° | 120.0° |
| C7 | C4 | C5 | 107.3° | 109.7° |
| C7 | C4 | C3 | 132.6° | 130.2° |
| C4 | C7 | H2 | 109.4° | 110.3° |
| C4 | C7 | H3 | 109.4° | 110.3° |
| C6 | C5 | C4 | 118.7° | 120.0° |
| C5 | C6 | C1 | 121.8° | 120.1° |
| C5 | C6 | H4 | 119.1° | 120.0° |
| C5 | C4 | C3 | 119.9° | 120.1° |
| C6 | C1 | C10 | 120.4° | 120.2° |
| C6 | C1 | C2 | 118.2° | 119.6° |
| C1 | C6 | H4 | 119.1° | 119.9° |
| C4 | C3 | C2 | 120.2° | 120.4° |
| C4 | C3 | H14 | 119.9° | 119.8° |
| C18 | C17 | C16 | 120.4° | 119.9° |
| C17 | C18 | H11 | 119.8° | 119.9° |
| C18 | C17 | H17 | 119.8° | 120.1° |
| C17 | C16 | C15 | 120.7° | 120.1° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C16 | C15 | C13 | 128.2° | 126.7° |
| C16 | C15 | C14 | 125.2° | 126.7° |
| C10 | C1 | C2 | 121.3° | 120.2° |
| C1 | C10 | C13 | 123.6° | 120.9° |
| C1 | C10 | N1 | 115.5° | 120.8° |
| C1 | C2 | C3 | 121.1° | 119.8° |
| C1 | C2 | H13 | 119.5° | 120.1° |
| C3 | C2 | H13 | 119.4° | 120.1° |
| C2 | C3 | H14 | 119.9° | 119.8° |
| C13 | C15 | C14 | 106.5° | 106.6° |
| C15 | C13 | C10 | 141.0° | 135.2° |
| C15 | C13 | C12 | 104.6° | 106.1° |
| C15 | C14 | N3 | 110.6° | 109.7° |
| C15 | C14 | H16 | 124.7° | 125.1° |
| C13 | C10 | N1 | 120.9° | 118.3° |
| C10 | C13 | C12 | 114.4° | 118.7° |
| C10 | N1 | C11 | 118.4° | 121.0° |
| C13 | C12 | N3 | 109.0° | 107.3° |
| C13 | C12 | N2 | 124.2° | 118.5° |
| C14 | N3 | C12 | 109.3° | 110.3° |
| C14 | N3 | H1 | 125.4° | 124.9° |
| N3 | C14 | H16 | 124.7° | 125.2° |
| N1 | C11 | N2 | 128.4° | 122.8° |
| N1 | C11 | H15 | 115.8° | 118.6° |
| N3 | C12 | N2 | 126.8° | 134.2° |
| C12 | N3 | H1 | 125.4° | 124.8° |
| C12 | N2 | C11 | 113.6° | 120.8° |
| N2 | C11 | H15 | 115.8° | 118.6° |
| H2 | C7 | H3 | 109.4° | 110.3° |
| H8 | C8 | H9 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C22 | N5 | H19 | 180.0° | 179.9° |
| C22 | N4 | C9 | H18 | 180.0° | 179.9° |
| C22 | N4 | C9 | C8 | 98.0° | 89.1° |
| C22 | N4 | C9 | C5 | 144.2° | 155.0° |
| C22 | N4 | C9 | H5 | 25.2° | 32.9° |
| N4 | C22 | N5 | H10 | 0.0° | 0.1° |
| N5 | C22 | N4 | C9 | 0.3° | 0.1° |
| N5 | C22 | N4 | H18 | 179.7° | 180.0° |
| N4 | C9 | C8 | C5 | 123.7° | 119.0° |
| N4 | C9 | C8 | H5 | 123.6° | 122.0° |
| N4 | C9 | C8 | C7 | 135.1° | 145.2° |
| N4 | C9 | C5 | H5 | 119.2° | 122.0° |
| N4 | C9 | C5 | C6 | 43.5° | 43.8° |
| N4 | C9 | C5 | C4 | 142.6° | 135.9° |
| N4 | C9 | C8 | H8 | 104.8° | 27.3° |
| N4 | C9 | C8 | H9 | 14.9° | 96.4° |
| C9 | N4 | C22 | H19 | 179.7° | 180.0° |
| C19 | C20 | C21 | H6 | 180.0° | 179.7° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 1.0° | 0.0° |
| C20 | C19 | C18 | C17 | 0.9° | 0.0° |
| C19 | C20 | C21 | H7 | 179.0° | 180.0° |
| C20 | C19 | C18 | H11 | 179.1° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C16 | H7 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 1.3° | 0.1° |
| C20 | C21 | C16 | C15 | 177.9° | 180.0° |
| C21 | C20 | C19 | H12 | 179.9° | 180.0° |
| C9 | C8 | C7 | H8 | 120.2° | 118.1° |
| C9 | C8 | C7 | H9 | 120.1° | 118.3° |
| C8 | C9 | C5 | H5 | 112.3° | 118.9° |
| C9 | C8 | C7 | C4 | 4.7° | 26.4° |
| C8 | C9 | C5 | C6 | 172.0° | 162.8° |
| C8 | C9 | C5 | C4 | 14.1° | 16.8° |
| C9 | C8 | C7 | H2 | 115.4° | 145.3° |
| C9 | C8 | C7 | H3 | 124.8° | 92.5° |
| C9 | C8 | H8 | H9 | 119.5° | 123.6° |
| C8 | C9 | N4 | H18 | 82.0° | 90.9° |
| C7 | C8 | C9 | C5 | 11.4° | 26.2° |
| C8 | C7 | C4 | H2 | 120.1° | 118.9° |
| C8 | C7 | C4 | H3 | 120.1° | 119.0° |
| C8 | C7 | C4 | C5 | 4.6° | 17.5° |
| C8 | C7 | C4 | C3 | 179.5° | 162.8° |
| C8 | C7 | H2 | H3 | 119.8° | 122.2° |
| C7 | C8 | C9 | H5 | 101.4° | 92.8° |
| C7 | C8 | H8 | H9 | 119.6° | 123.6° |
| C9 | C5 | C4 | C7 | 12.2° | 0.4° |
| C9 | C5 | C6 | C4 | 173.5° | 179.6° |
| C9 | C5 | C6 | C1 | 172.6° | 180.0° |
| C9 | C5 | C4 | C3 | 172.0° | 179.9° |
| C9 | C5 | C6 | H4 | 7.4° | 0.7° |
| C5 | C9 | C8 | H8 | 131.6° | 91.8° |
| C5 | C9 | C8 | H9 | 108.7° | 144.6° |
| C5 | C9 | N4 | H18 | 35.8° | 25.0° |
| C19 | C18 | C17 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C18 | C19 | C20 | H6 | 179.9° | 179.7° |
| C19 | C18 | C17 | H17 | 179.3° | 179.9° |
| C21 | C16 | C17 | C18 | 0.4° | 0.1° |
| C21 | C16 | C17 | C15 | 179.2° | 180.0° |
| C21 | C16 | C15 | C13 | 44.2° | 130.0° |
| C21 | C16 | C15 | C14 | 130.9° | 50.0° |
| C16 | C21 | C20 | H6 | 179.0° | 179.7° |
| C21 | C16 | C17 | H17 | 179.6° | 179.9° |
| C7 | C4 | C5 | C6 | 172.9° | 179.9° |
| C7 | C4 | C5 | C3 | 175.7° | 179.7° |
| C7 | C4 | C3 | C2 | 172.9° | 180.0° |
| C4 | C7 | H2 | H3 | 119.8° | 122.1° |
| C4 | C7 | C8 | H8 | 124.9° | 91.7° |
| C4 | C7 | C8 | H9 | 115.4° | 144.7° |
| C7 | C4 | C3 | H14 | 7.1° | 0.1° |
| C5 | C6 | C1 | H4 | 180.0° | 179.2° |
| C6 | C5 | C4 | C3 | 2.8° | 0.2° |
| C5 | C6 | C1 | C10 | 175.9° | 179.2° |
| C5 | C6 | C1 | C2 | 2.3° | 0.8° |
| C6 | C5 | C9 | H5 | 75.7° | 78.2° |
| C4 | C5 | C6 | C1 | 0.8° | 0.4° |
| C5 | C4 | C3 | C2 | 1.6° | 0.3° |
| C5 | C4 | C7 | H2 | 124.7° | 136.4° |
| C5 | C4 | C7 | H3 | 115.5° | 101.5° |
| C4 | C5 | C6 | H4 | 179.2° | 179.7° |
| C4 | C5 | C9 | H5 | 98.2° | 102.1° |
| C5 | C4 | C3 | H14 | 178.4° | 179.7° |
| C6 | C1 | C10 | C2 | 178.1° | 180.0° |
| C6 | C1 | C2 | C3 | 3.6° | 0.9° |
| C6 | C1 | C10 | C13 | 138.7° | 131.9° |
| C6 | C1 | C10 | N1 | 43.1° | 48.1° |
| C6 | C1 | C2 | H13 | 176.4° | 180.0° |
| C4 | C3 | C2 | C1 | 1.7° | 0.7° |
| C4 | C3 | C2 | H14 | 180.0° | 179.9° |
| C3 | C4 | C7 | H2 | 60.4° | 43.9° |
| C3 | C4 | C7 | H3 | 59.5° | 78.2° |
| C4 | C3 | C2 | H13 | 178.3° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 178.7° | 180.0° |
| C17 | C18 | C19 | H12 | 179.1° | 180.0° |
| C17 | C16 | C15 | C13 | 135.0° | 50.0° |
| C17 | C16 | C15 | C14 | 50.0° | 130.0° |
| C17 | C16 | C21 | H7 | 178.7° | 180.0° |
| C16 | C17 | C18 | H11 | 179.3° | 179.9° |
| C16 | C15 | C13 | C14 | 175.8° | 180.0° |
| C16 | C15 | C13 | C10 | 5.2° | 0.2° |
| C16 | C15 | C13 | C12 | 174.1° | 180.0° |
| C16 | C15 | C14 | N3 | 175.3° | 179.9° |
| C15 | C16 | C21 | H7 | 2.1° | 0.0° |
| C16 | C15 | C14 | H16 | 4.7° | 0.1° |
| C15 | C16 | C17 | H17 | 1.2° | 0.1° |
| C10 | C1 | C2 | C3 | 174.6° | 179.1° |
| C1 | C10 | C13 | C15 | 7.4° | 0.2° |
| C1 | C10 | C13 | N1 | 178.1° | 180.0° |
| C1 | C10 | C13 | C12 | 173.3° | 180.0° |
| C1 | C10 | N1 | C11 | 175.6° | 180.0° |
| C10 | C1 | C6 | H4 | 4.1° | 0.0° |
| C10 | C1 | C2 | H13 | 5.4° | 0.0° |
| C1 | C2 | C3 | H13 | 180.0° | 179.1° |
| C2 | C1 | C10 | C13 | 39.4° | 48.1° |
| C2 | C1 | C10 | N1 | 138.8° | 131.9° |
| C2 | C1 | C6 | H4 | 177.7° | 180.0° |
| C1 | C2 | C3 | H14 | 178.3° | 179.4° |
| C15 | C13 | C10 | C12 | 179.2° | 179.8° |
| C15 | C13 | C10 | N1 | 174.5° | 179.8° |
| C13 | C15 | C14 | N3 | 0.7° | 0.1° |
| C15 | C13 | C12 | N3 | 2.2° | 0.1° |
| C15 | C13 | C12 | N2 | 175.4° | 179.9° |
| C13 | C15 | C14 | H16 | 179.3° | 179.9° |
| C14 | C15 | C13 | C10 | 179.0° | 179.8° |
| C14 | C15 | C13 | C12 | 1.7° | 0.0° |
| C15 | C14 | N3 | H16 | 180.0° | 180.0° |
| C15 | C14 | N3 | C12 | 0.7° | 0.2° |
| C15 | C14 | N3 | H1 | 179.3° | 180.0° |
| C13 | C10 | N1 | C11 | 2.6° | 0.0° |
| C10 | C13 | C12 | N3 | 178.3° | 180.0° |
| C10 | C13 | C12 | N2 | 4.1° | 0.0° |
| N1 | C10 | C13 | C12 | 4.8° | 0.0° |
| C10 | N1 | C11 | N2 | 1.0° | 0.0° |
| C10 | N1 | C11 | H15 | 179.0° | 180.0° |
| C13 | C12 | N3 | C14 | 1.9° | 0.2° |
| C13 | C12 | N3 | N2 | 177.5° | 180.0° |
| C13 | C12 | N2 | C11 | 1.0° | 0.0° |
| C13 | C12 | N3 | H1 | 178.2° | 180.0° |
| C14 | N3 | C12 | H1 | 180.0° | 179.8° |
| C14 | N3 | C12 | N2 | 175.7° | 179.8° |
| N1 | C11 | N2 | C12 | 1.7° | 0.0° |
| N1 | C11 | N2 | H15 | 180.0° | 180.0° |
| N3 | C12 | N2 | C11 | 178.2° | 180.0° |
| C12 | N3 | C14 | H16 | 179.2° | 179.8° |
| N2 | C12 | N3 | H1 | 4.3° | 0.0° |
| C12 | N2 | C11 | H15 | 178.3° | 180.0° |
| H1 | N3 | C14 | H16 | 0.7° | 0.0° |
| H2 | C7 | C8 | H8 | 4.8° | 27.2° |
| H2 | C7 | C8 | H9 | 124.5° | 96.3° |
| H3 | C7 | C8 | H8 | 115.1° | 149.4° |
| H3 | C7 | C8 | H9 | 4.6° | 25.8° |
| H5 | C9 | C8 | H8 | 18.8° | 149.3° |
| H5 | C9 | C8 | H9 | 138.5° | 25.6° |
| H5 | C9 | N4 | H18 | 154.8° | 147.1° |
| H6 | C20 | C21 | H7 | 1.1° | 0.3° |
| H6 | C20 | C19 | H12 | 0.0° | 0.2° |
| H10 | N5 | C22 | H19 | 180.0° | 180.0° |
| H11 | C18 | C19 | H12 | 0.9° | 0.0° |
| H11 | C18 | C17 | H17 | 0.7° | 0.0° |
| H13 | C2 | C3 | H14 | 1.7° | 0.3° |
| H18 | N4 | C22 | H19 | 0.3° | 0.1° |
