G9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N5 | sing | 1.46Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N5 | C14 | sing | 1.34Å | 1.37Å | |
| N5 | C6 | sing | 1.36Å | 1.39Å | |
| O15 | C14 | doub | 1.22Å | 1.26Å | |
| C28 | O27 | sing | 1.43Å | 1.44Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | doub | 1.31Å | 1.31Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.41Å | 1.42Å | |
| C6 | C7 | doub | 1.36Å | 1.37Å | |
| C13 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | N11 | sing | 1.38Å | 1.37Å | Aromatic |
| O27 | C26 | sing | 1.43Å | 1.44Å | |
| C29 | N24 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C7 | C16 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| N11 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.48Å | 1.48Å | |
| N24 | C22 | sing | 1.35Å | 1.36Å | |
| N24 | C25 | sing | 1.47Å | 1.48Å | |
| C22 | O23 | doub | 1.22Å | 1.25Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C4 | C3 | 110.6° | 109.5° |
| C4 | N5 | C14 | 120.6° | 118.9° |
| C4 | N5 | C6 | 116.9° | 118.8° |
| N5 | C4 | H1 | 109.2° | 109.5° |
| N5 | C4 | H2 | 109.2° | 109.5° |
| C4 | C3 | C2 | 112.9° | 109.5° |
| C3 | C4 | H1 | 109.2° | 109.5° |
| C3 | C4 | H2 | 109.2° | 109.5° |
| C4 | C3 | H6 | 108.6° | 109.5° |
| C4 | C3 | H7 | 108.6° | 109.4° |
| C14 | N5 | C6 | 122.5° | 122.3° |
| N5 | C14 | O15 | 121.3° | 119.7° |
| N5 | C14 | C13 | 116.8° | 120.6° |
| N5 | C6 | C7 | 122.5° | 121.0° |
| N5 | C6 | H3 | 118.8° | 119.5° |
| O15 | C14 | C13 | 121.9° | 119.7° |
| O27 | C28 | C29 | 109.1° | 109.2° |
| C28 | O27 | C26 | 113.4° | 114.1° |
| O27 | C28 | H16 | 109.6° | 109.5° |
| O27 | C28 | H17 | 109.6° | 109.5° |
| C28 | C29 | N24 | 107.0° | 108.4° |
| C28 | C29 | H8 | 110.1° | 109.7° |
| C28 | C29 | H9 | 110.1° | 109.7° |
| C29 | C28 | H16 | 109.5° | 109.5° |
| C29 | C28 | H17 | 109.6° | 109.5° |
| C1 | C2 | C3 | 123.3° | 120.0° |
| C2 | C1 | H13 | 120.0° | 120.0° |
| C2 | C1 | H14 | 120.0° | 120.0° |
| C1 | C2 | H15 | 118.4° | 120.0° |
| C2 | C3 | H6 | 108.6° | 109.5° |
| C2 | C3 | H7 | 108.6° | 109.5° |
| C3 | C2 | H15 | 118.4° | 120.0° |
| C14 | C13 | C8 | 122.9° | 118.9° |
| C14 | C13 | N11 | 129.6° | 134.1° |
| C6 | C7 | C8 | 117.1° | 118.7° |
| C6 | C7 | C16 | 119.6° | 120.7° |
| C7 | C6 | H3 | 118.7° | 119.5° |
| C8 | C13 | N11 | 107.4° | 107.0° |
| C13 | C8 | C7 | 118.0° | 118.6° |
| C13 | C8 | C9 | 107.7° | 106.9° |
| C13 | N11 | C10 | 108.5° | 108.9° |
| C13 | N11 | H12 | 125.7° | 125.5° |
| O27 | C26 | C25 | 110.8° | 109.2° |
| O27 | C26 | H21 | 109.1° | 109.5° |
| O27 | C26 | H22 | 109.1° | 109.5° |
| C29 | N24 | C22 | 122.1° | 121.0° |
| C29 | N24 | C25 | 115.5° | 118.0° |
| N24 | C29 | H8 | 110.1° | 109.7° |
| N24 | C29 | H9 | 110.1° | 109.7° |
| C8 | C7 | C16 | 123.2° | 120.7° |
| C7 | C8 | C9 | 134.2° | 134.5° |
| C7 | C16 | C17 | 122.1° | 120.1° |
| C7 | C16 | C21 | 119.3° | 120.0° |
| C16 | C17 | C18 | 121.7° | 120.2° |
| C17 | C16 | C21 | 118.5° | 119.9° |
| C16 | C17 | H20 | 119.1° | 119.9° |
| C17 | C18 | C19 | 118.9° | 120.3° |
| C17 | C18 | H11 | 120.6° | 119.9° |
| C18 | C17 | H20 | 119.2° | 119.9° |
| C8 | C9 | C10 | 106.0° | 107.7° |
| C8 | C9 | H4 | 127.0° | 126.1° |
| N11 | C10 | C9 | 110.4° | 109.4° |
| N11 | C10 | H5 | 124.8° | 125.3° |
| C10 | N11 | H12 | 125.8° | 125.6° |
| C16 | C21 | C20 | 120.7° | 119.7° |
| C16 | C21 | H23 | 119.7° | 120.1° |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C18 | C19 | H10 | 119.8° | 119.9° |
| C19 | C18 | H11 | 120.5° | 119.8° |
| C10 | C9 | H4 | 127.0° | 126.1° |
| C9 | C10 | H5 | 124.8° | 125.3° |
| C21 | C20 | C19 | 119.9° | 119.8° |
| C21 | C20 | C22 | 119.2° | 120.1° |
| C20 | C21 | H23 | 119.7° | 120.2° |
| C19 | C20 | C22 | 120.8° | 120.1° |
| C20 | C19 | H10 | 119.9° | 119.9° |
| C26 | C25 | N24 | 107.6° | 108.3° |
| C26 | C25 | H18 | 109.9° | 109.7° |
| C26 | C25 | H19 | 109.9° | 109.7° |
| C25 | C26 | H21 | 109.1° | 109.5° |
| C25 | C26 | H22 | 109.1° | 109.5° |
| C20 | C22 | N24 | 121.7° | 120.0° |
| C20 | C22 | O23 | 118.3° | 120.0° |
| C22 | N24 | C25 | 122.1° | 121.0° |
| N24 | C22 | O23 | 120.0° | 120.0° |
| N24 | C25 | H18 | 109.9° | 109.7° |
| N24 | C25 | H19 | 109.9° | 109.7° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.4° | 109.4° |
| H8 | C29 | H9 | 109.5° | 109.7° |
| H13 | C1 | H14 | 120.0° | 120.0° |
| H16 | C28 | H17 | 109.5° | 109.6° |
| H18 | C25 | H19 | 109.5° | 109.7° |
| H21 | C26 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C4 | C3 | H1 | 120.2° | 120.0° |
| N5 | C4 | C3 | H2 | 120.1° | 120.0° |
| C4 | N5 | C14 | C6 | 179.7° | 179.9° |
| C4 | N5 | C14 | O15 | 1.8° | 0.3° |
| N5 | C4 | C3 | C2 | 177.5° | 180.0° |
| C4 | N5 | C14 | C13 | 179.8° | 180.0° |
| C4 | N5 | C6 | C7 | 177.3° | 180.0° |
| N5 | C4 | H1 | H2 | 119.5° | 120.0° |
| C4 | N5 | C6 | H3 | 2.6° | 0.1° |
| N5 | C4 | C3 | H6 | 62.0° | 59.9° |
| N5 | C4 | C3 | H7 | 57.0° | 60.0° |
| C3 | C4 | N5 | C14 | 105.4° | 90.0° |
| C3 | C4 | N5 | C6 | 74.4° | 90.1° |
| C4 | C3 | C2 | C1 | 117.1° | 125.0° |
| C4 | C3 | C2 | H6 | 120.5° | 120.0° |
| C4 | C3 | C2 | H7 | 120.5° | 120.0° |
| C3 | C4 | H1 | H2 | 119.5° | 120.0° |
| C4 | C3 | H6 | H7 | 118.4° | 119.9° |
| C4 | C3 | C2 | H15 | 62.9° | 55.0° |
| N5 | C14 | O15 | C13 | 178.3° | 179.7° |
| C14 | N5 | C6 | C7 | 2.4° | 0.0° |
| N5 | C14 | C13 | C8 | 1.1° | 0.1° |
| N5 | C14 | C13 | N11 | 179.2° | 180.0° |
| C14 | N5 | C4 | H1 | 14.8° | 30.0° |
| C14 | N5 | C4 | H2 | 134.5° | 150.0° |
| C14 | N5 | C6 | H3 | 177.6° | 180.0° |
| C6 | N5 | C14 | O15 | 177.9° | 179.7° |
| C6 | N5 | C14 | C13 | 0.4° | 0.0° |
| N5 | C6 | C7 | H3 | 180.0° | 179.9° |
| N5 | C6 | C7 | C8 | 4.3° | 0.0° |
| N5 | C6 | C7 | C16 | 175.5° | 180.0° |
| C6 | N5 | C4 | H1 | 165.5° | 149.9° |
| C6 | N5 | C4 | H2 | 45.8° | 30.0° |
| O15 | C14 | C13 | C8 | 177.3° | 179.7° |
| O15 | C14 | C13 | N11 | 2.5° | 0.3° |
| O27 | C28 | C29 | H16 | 119.9° | 120.0° |
| O27 | C28 | C29 | H17 | 119.9° | 119.9° |
| O27 | C28 | C29 | N24 | 56.8° | 52.3° |
| C28 | O27 | C26 | C25 | 60.1° | 62.6° |
| O27 | C28 | C29 | H8 | 62.8° | 67.4° |
| O27 | C28 | C29 | H9 | 176.3° | 172.0° |
| O27 | C28 | H16 | H17 | 120.2° | 120.1° |
| C28 | O27 | C26 | H21 | 60.1° | 57.4° |
| C28 | O27 | C26 | H22 | 179.7° | 177.4° |
| C29 | C28 | O27 | C26 | 61.8° | 62.6° |
| C28 | C29 | N24 | H8 | 119.6° | 119.8° |
| C28 | C29 | N24 | H9 | 119.6° | 119.7° |
| C28 | C29 | N24 | C22 | 116.3° | 129.5° |
| C28 | C29 | N24 | C25 | 56.9° | 50.6° |
| C28 | C29 | H8 | H9 | 121.2° | 120.6° |
| C29 | C28 | H16 | H17 | 120.2° | 120.1° |
| C1 | C2 | C3 | H15 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 3.5° | 5.0° |
| C1 | C2 | C3 | H7 | 122.4° | 115.0° |
| C2 | C1 | H13 | H14 | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 57.4° | 60.0° |
| C2 | C3 | C4 | H2 | 62.3° | 60.0° |
| C2 | C3 | H6 | H7 | 118.4° | 120.0° |
| C3 | C2 | C1 | H13 | 0.0° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C14 | C13 | C8 | N11 | 179.8° | 180.0° |
| C14 | C13 | C8 | C7 | 0.9° | 0.1° |
| C14 | C13 | C8 | C9 | 178.0° | 180.0° |
| C14 | C13 | N11 | C10 | 178.8° | 180.0° |
| C14 | C13 | N11 | H12 | 1.2° | 0.0° |
| C6 | C7 | C8 | C13 | 3.5° | 0.0° |
| C6 | C7 | C8 | C16 | 179.8° | 180.0° |
| C6 | C7 | C16 | C17 | 141.4° | 114.4° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C6 | C7 | C16 | C21 | 42.4° | 65.0° |
| C13 | C8 | C7 | C9 | 176.1° | 180.0° |
| C13 | C8 | C7 | C16 | 176.3° | 180.0° |
| C8 | C13 | N11 | C10 | 1.0° | 0.0° |
| C13 | C8 | C9 | C10 | 1.9° | 0.0° |
| C13 | C8 | C9 | H4 | 178.1° | 180.0° |
| C8 | C13 | N11 | H12 | 179.1° | 179.9° |
| N11 | C13 | C8 | C7 | 178.9° | 180.0° |
| N11 | C13 | C8 | C9 | 1.8° | 0.0° |
| C13 | N11 | C10 | H12 | 180.0° | 179.9° |
| C13 | N11 | C10 | C9 | 0.2° | 0.0° |
| C13 | N11 | C10 | H5 | 179.8° | 180.0° |
| O27 | C26 | C25 | H21 | 120.2° | 120.0° |
| O27 | C26 | C25 | H22 | 120.2° | 119.9° |
| O27 | C26 | C25 | N24 | 53.0° | 52.4° |
| C26 | O27 | C28 | H16 | 178.3° | 177.5° |
| C26 | O27 | C28 | H17 | 58.1° | 57.3° |
| O27 | C26 | C25 | H18 | 172.7° | 172.1° |
| O27 | C26 | C25 | H19 | 66.7° | 67.4° |
| O27 | C26 | H21 | H22 | 119.4° | 120.1° |
| C29 | N24 | C25 | C26 | 54.6° | 50.6° |
| C29 | N24 | C22 | C20 | 8.0° | 3.8° |
| C29 | N24 | C22 | C25 | 172.7° | 180.0° |
| C29 | N24 | C22 | O23 | 174.2° | 176.1° |
| N24 | C29 | H8 | H9 | 121.1° | 120.5° |
| N24 | C29 | C28 | H16 | 176.7° | 172.3° |
| N24 | C29 | C28 | H17 | 63.2° | 67.6° |
| C29 | N24 | C25 | H18 | 174.4° | 170.3° |
| C29 | N24 | C25 | H19 | 65.1° | 69.2° |
| C8 | C7 | C16 | C17 | 38.8° | 65.5° |
| C8 | C7 | C16 | C21 | 137.4° | 115.0° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C8 | C7 | C6 | H3 | 175.7° | 180.0° |
| C7 | C8 | C9 | H4 | 1.7° | 0.1° |
| C7 | C16 | C17 | C21 | 176.2° | 179.5° |
| C7 | C16 | C17 | C18 | 177.1° | 179.7° |
| C16 | C7 | C8 | C9 | 0.2° | 0.0° |
| C7 | C16 | C21 | C20 | 177.4° | 180.0° |
| C16 | C7 | C6 | H3 | 4.4° | 0.1° |
| C7 | C16 | C17 | H20 | 2.9° | 0.5° |
| C7 | C16 | C21 | H23 | 2.6° | 0.5° |
| C16 | C17 | C18 | H20 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C17 | C16 | C21 | C20 | 1.1° | 0.5° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C17 | C16 | C21 | H23 | 178.9° | 180.0° |
| C18 | C17 | C16 | C21 | 0.9° | 0.3° |
| C17 | C18 | C19 | H11 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.1° |
| C17 | C18 | C19 | H10 | 179.3° | 179.8° |
| C8 | C9 | C10 | N11 | 1.3° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | H5 | 178.7° | 180.0° |
| N11 | C10 | C9 | H5 | 180.0° | 180.0° |
| N11 | C10 | C9 | H4 | 178.7° | 180.0° |
| C16 | C21 | C20 | H23 | 180.0° | 179.5° |
| C16 | C21 | C20 | C19 | 0.5° | 0.5° |
| C16 | C21 | C20 | C22 | 178.2° | 179.5° |
| C21 | C16 | C17 | H20 | 179.1° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C18 | C19 | C20 | H10 | 180.0° | 179.7° |
| C18 | C19 | C20 | C22 | 177.3° | 179.7° |
| C19 | C18 | C17 | H20 | 180.0° | 179.8° |
| C9 | C10 | N11 | H12 | 179.7° | 179.9° |
| C21 | C20 | C19 | C22 | 177.7° | 180.0° |
| C21 | C20 | C22 | N24 | 111.4° | 48.8° |
| C21 | C20 | C22 | O23 | 70.7° | 131.1° |
| C21 | C20 | C19 | H10 | 179.6° | 180.0° |
| C19 | C20 | C22 | N24 | 70.9° | 131.2° |
| C19 | C20 | C22 | O23 | 107.0° | 48.8° |
| C20 | C19 | C18 | H11 | 179.4° | 180.0° |
| C19 | C20 | C21 | H23 | 179.5° | 180.0° |
| C26 | C25 | N24 | C22 | 118.6° | 129.4° |
| C26 | C25 | N24 | H18 | 119.7° | 119.7° |
| C26 | C25 | N24 | H19 | 119.7° | 119.8° |
| C26 | C25 | H18 | H19 | 120.9° | 120.6° |
| C25 | C26 | H21 | H22 | 119.4° | 120.1° |
| C20 | C22 | N24 | O23 | 177.8° | 179.9° |
| C20 | C22 | N24 | C25 | 179.2° | 176.2° |
| C22 | C20 | C19 | H10 | 2.7° | 0.0° |
| C22 | C20 | C21 | H23 | 1.8° | 0.0° |
| C22 | N24 | C29 | H8 | 124.1° | 110.8° |
| C22 | N24 | C29 | H9 | 3.3° | 9.7° |
| C22 | N24 | C25 | H18 | 1.2° | 9.7° |
| C22 | N24 | C25 | H19 | 121.8° | 110.8° |
| C25 | N24 | C22 | O23 | 1.4° | 3.8° |
| C25 | N24 | C29 | H8 | 62.7° | 69.2° |
| C25 | N24 | C29 | H9 | 176.5° | 170.3° |
| N24 | C25 | H18 | H19 | 120.8° | 120.5° |
| N24 | C25 | C26 | H21 | 67.2° | 67.6° |
| N24 | C25 | C26 | H22 | 173.2° | 172.3° |
| H1 | C4 | C3 | H6 | 177.9° | 60.1° |
| H1 | C4 | C3 | H7 | 63.2° | 180.0° |
| H2 | C4 | C3 | H6 | 58.2° | 180.0° |
| H2 | C4 | C3 | H7 | 177.1° | 60.1° |
| H4 | C9 | C10 | H5 | 1.3° | 0.0° |
| H5 | C10 | N11 | H12 | 0.2° | 0.1° |
| H6 | C3 | C2 | H15 | 176.6° | 175.0° |
| H7 | C3 | C2 | H15 | 57.6° | 65.0° |
| H8 | C29 | C28 | H16 | 57.1° | 52.5° |
| H8 | C29 | C28 | H17 | 177.2° | 172.7° |
| H9 | C29 | C28 | H16 | 63.7° | 68.0° |
| H9 | C29 | C28 | H17 | 56.4° | 52.2° |
| H10 | C19 | C18 | H11 | 0.6° | 0.3° |
| H11 | C18 | C17 | H20 | 0.0° | 0.3° |
| H13 | C1 | C2 | H15 | 180.0° | 180.0° |
| H14 | C1 | C2 | H15 | 0.0° | 0.0° |
| H18 | C25 | C26 | H21 | 52.5° | 52.1° |
| H18 | C25 | C26 | H22 | 67.1° | 68.0° |
| H19 | C25 | C26 | H21 | 173.1° | 172.6° |
| H19 | C25 | C26 | H22 | 53.5° | 52.6° |
