GYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| N9 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.43Å | 1.43Å | |
| C5 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C7 | sing | 1.38Å | 1.34Å | Aromatic |
| C10 | N11 | trip | 1.14Å | 1.16Å | |
| C7 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | N14 | doub | 1.33Å | 1.39Å | Aromatic |
| C12 | N17 | sing | 1.33Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.39Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | N20 | sing | 1.38Å | 1.41Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C15 | N18 | sing | 1.39Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| N20 | C25 | sing | 1.47Å | 1.48Å | |
| N20 | C19 | sing | 1.35Å | 1.39Å | |
| N18 | C19 | sing | 1.35Å | 1.39Å | |
| N18 | C22 | sing | 1.47Å | 1.48Å | |
| C19 | O21 | doub | 1.22Å | 1.21Å | |
| O24 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C4 | C2 | 117.8° | 119.7° |
| C4 | C6 | C5 | 120.0° | 119.5° |
| C6 | C4 | H2 | 121.1° | 120.2° |
| C4 | C6 | H3 | 120.0° | 120.2° |
| C4 | C2 | N9 | 127.5° | 131.8° |
| C4 | C2 | N1 | 121.5° | 120.0° |
| C2 | C4 | H2 | 121.1° | 120.2° |
| C6 | C5 | C10 | 118.8° | 120.1° |
| C6 | C5 | C3 | 120.3° | 119.7° |
| C5 | C6 | H3 | 120.0° | 120.2° |
| C2 | N9 | C8 | 106.1° | 109.6° |
| N9 | C2 | N1 | 111.1° | 108.2° |
| N9 | C8 | C7 | 108.2° | 108.5° |
| N9 | C8 | H4 | 125.9° | 125.8° |
| C2 | N1 | C3 | 122.5° | 120.7° |
| C2 | N1 | C7 | 106.9° | 106.9° |
| C8 | C7 | N1 | 107.6° | 106.7° |
| C8 | C7 | C12 | 123.2° | 126.6° |
| C7 | C8 | H4 | 125.9° | 125.7° |
| C10 | C5 | C3 | 120.9° | 120.2° |
| C5 | C10 | N11 | 179.7° | 180.0° |
| C5 | C3 | N1 | 118.0° | 120.4° |
| C5 | C3 | H1 | 121.0° | 119.8° |
| C3 | N1 | C7 | 130.6° | 132.4° |
| N1 | C3 | H1 | 121.0° | 119.8° |
| N1 | C7 | C12 | 129.1° | 126.6° |
| C7 | C12 | N14 | 120.9° | 119.0° |
| C7 | C12 | N17 | 119.5° | 119.1° |
| N14 | C12 | N17 | 119.5° | 121.9° |
| C12 | N14 | C13 | 121.2° | 121.0° |
| C12 | N17 | C16 | 118.6° | 120.4° |
| N14 | C13 | C15 | 118.5° | 118.9° |
| N14 | C13 | H14 | 120.7° | 120.6° |
| N17 | C16 | C15 | 122.1° | 119.1° |
| N17 | C16 | N20 | 127.8° | 134.2° |
| C13 | C15 | C16 | 120.0° | 118.8° |
| C13 | C15 | N18 | 129.9° | 134.4° |
| C15 | C13 | H14 | 120.8° | 120.5° |
| C15 | C16 | N20 | 110.1° | 106.7° |
| C16 | C15 | N18 | 110.1° | 106.8° |
| C16 | N20 | C25 | 133.1° | 125.7° |
| C16 | N20 | C19 | 102.9° | 108.6° |
| C27 | O28 | C29 | 111.9° | 114.1° |
| O28 | C27 | C26 | 110.7° | 109.5° |
| O28 | C27 | H7 | 109.2° | 109.5° |
| O28 | C27 | H8 | 109.2° | 109.5° |
| O28 | C29 | C30 | 109.5° | 109.4° |
| O28 | C29 | H16 | 109.5° | 109.4° |
| O28 | C29 | H17 | 109.5° | 109.5° |
| C15 | N18 | C19 | 102.6° | 108.1° |
| C15 | N18 | C22 | 131.0° | 125.9° |
| C27 | C26 | C25 | 110.2° | 109.2° |
| C26 | C27 | H7 | 109.2° | 109.4° |
| C26 | C27 | H8 | 109.2° | 109.5° |
| C27 | C26 | H18 | 109.3° | 109.5° |
| C27 | C26 | H19 | 109.3° | 109.5° |
| C26 | C25 | C30 | 110.2° | 109.0° |
| C26 | C25 | N20 | 109.4° | 109.6° |
| C26 | C25 | H15 | 109.0° | 109.6° |
| C25 | C26 | H18 | 109.3° | 109.5° |
| C25 | C26 | H19 | 109.3° | 109.5° |
| C29 | C30 | C25 | 108.3° | 109.2° |
| C29 | C30 | H9 | 109.8° | 109.5° |
| C29 | C30 | H10 | 109.8° | 109.5° |
| C30 | C29 | H16 | 109.4° | 109.5° |
| C30 | C29 | H17 | 109.5° | 109.4° |
| C30 | C25 | N20 | 109.2° | 109.5° |
| C25 | C30 | H9 | 109.7° | 109.6° |
| C25 | C30 | H10 | 109.8° | 109.5° |
| C30 | C25 | H15 | 109.2° | 109.6° |
| C25 | N20 | C19 | 124.0° | 125.7° |
| N20 | C25 | H15 | 109.8° | 109.5° |
| N20 | C19 | N18 | 114.4° | 109.7° |
| N20 | C19 | O21 | 122.4° | 125.1° |
| C19 | N18 | C22 | 126.4° | 125.9° |
| N18 | C19 | O21 | 123.2° | 125.2° |
| N18 | C22 | C23 | 115.9° | 109.4° |
| N18 | C22 | H11 | 107.9° | 109.5° |
| N18 | C22 | H12 | 107.9° | 109.5° |
| O24 | C23 | C22 | 111.9° | 109.5° |
| O24 | C23 | H5 | 108.9° | 109.5° |
| O24 | C23 | H6 | 108.8° | 109.5° |
| C23 | O24 | H13 | 109.5° | 114.0° |
| C22 | C23 | H5 | 108.9° | 109.5° |
| C22 | C23 | H6 | 108.9° | 109.5° |
| C23 | C22 | H11 | 107.8° | 109.5° |
| C23 | C22 | H12 | 107.8° | 109.5° |
| H5 | C23 | H6 | 109.4° | 109.5° |
| H7 | C27 | H8 | 109.4° | 109.4° |
| H9 | C30 | H10 | 109.4° | 109.6° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C4 | C2 | H2 | 180.0° | 179.9° |
| C4 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C4 | C2 | N9 | 179.5° | 179.7° |
| C6 | C4 | C2 | N1 | 0.1° | 0.0° |
| C4 | C6 | C5 | C10 | 179.7° | 180.0° |
| C4 | C6 | C5 | C3 | 0.3° | 0.0° |
| C2 | C4 | C6 | C5 | 0.4° | 0.0° |
| C4 | C2 | N9 | N1 | 179.6° | 179.7° |
| C4 | C2 | N9 | C8 | 179.9° | 179.7° |
| C4 | C2 | N1 | C3 | 0.1° | 0.0° |
| C4 | C2 | N1 | C7 | 179.6° | 180.0° |
| C2 | C4 | C6 | H3 | 179.7° | 180.0° |
| C6 | C5 | C10 | C3 | 179.9° | 179.9° |
| C6 | C5 | C3 | N1 | 0.1° | 0.1° |
| C6 | C5 | C10 | N11 | 8.6° | 145.3° |
| C6 | C5 | C3 | H1 | 179.9° | 180.0° |
| C5 | C6 | C4 | H2 | 179.6° | 180.0° |
| C2 | N9 | C8 | C7 | 0.2° | 0.3° |
| N9 | C2 | N1 | C3 | 179.8° | 179.7° |
| N9 | C2 | N1 | C7 | 0.7° | 0.2° |
| N9 | C2 | C4 | H2 | 0.5° | 0.3° |
| C2 | N9 | C8 | H4 | 179.8° | 179.8° |
| C8 | N9 | C2 | N1 | 0.3° | 0.1° |
| N9 | C8 | C7 | H4 | 180.0° | 179.9° |
| N9 | C8 | C7 | N1 | 0.6° | 0.4° |
| N9 | C8 | C7 | C12 | 179.2° | 179.9° |
| C2 | N1 | C7 | C8 | 0.8° | 0.4° |
| C2 | N1 | C3 | C5 | 0.1° | 0.1° |
| C2 | N1 | C3 | C7 | 179.4° | 179.9° |
| C2 | N1 | C7 | C12 | 179.2° | 179.9° |
| C2 | N1 | C3 | H1 | 179.9° | 180.0° |
| N1 | C2 | C4 | H2 | 179.9° | 180.0° |
| C8 | C7 | N1 | C3 | 179.7° | 179.6° |
| C8 | C7 | N1 | C12 | 178.4° | 179.7° |
| C8 | C7 | C12 | N14 | 11.2° | 180.0° |
| C8 | C7 | C12 | N17 | 167.2° | 0.4° |
| C10 | C5 | C3 | N1 | 180.0° | 180.0° |
| C10 | C5 | C3 | H1 | 0.0° | 0.1° |
| C10 | C5 | C6 | H3 | 0.2° | 0.1° |
| C5 | C3 | N1 | H1 | 180.0° | 180.0° |
| C5 | C3 | N1 | C7 | 179.5° | 180.0° |
| C3 | C5 | C10 | N11 | 171.5° | 34.7° |
| C3 | C5 | C6 | H3 | 179.7° | 180.0° |
| C3 | N1 | C7 | C12 | 1.3° | 0.1° |
| N1 | C7 | C12 | N14 | 170.6° | 0.4° |
| N1 | C7 | C12 | N17 | 11.0° | 179.3° |
| C7 | N1 | C3 | H1 | 0.5° | 0.1° |
| N1 | C7 | C8 | H4 | 179.4° | 179.7° |
| C7 | C12 | N14 | N17 | 178.4° | 179.6° |
| C7 | C12 | N14 | C13 | 179.4° | 179.9° |
| C7 | C12 | N17 | C16 | 179.3° | 180.0° |
| C12 | C7 | C8 | H4 | 0.8° | 0.0° |
| N14 | C12 | N17 | C16 | 0.9° | 0.3° |
| C12 | N14 | C13 | C15 | 0.5° | 0.0° |
| C12 | N14 | C13 | H14 | 179.5° | 179.7° |
| N17 | C12 | N14 | C13 | 1.0° | 0.3° |
| C12 | N17 | C16 | C15 | 0.3° | 0.0° |
| C12 | N17 | C16 | N20 | 179.8° | 179.6° |
| N14 | C13 | C15 | H14 | 180.0° | 179.7° |
| N14 | C13 | C15 | C16 | 0.1° | 0.3° |
| N14 | C13 | C15 | N18 | 179.3° | 179.8° |
| N17 | C16 | C15 | C13 | 0.2° | 0.3° |
| N17 | C16 | C15 | N20 | 179.9° | 179.7° |
| N17 | C16 | C15 | N18 | 179.6° | 179.8° |
| N17 | C16 | N20 | C25 | 0.7° | 0.4° |
| N17 | C16 | N20 | C19 | 179.8° | 179.7° |
| C13 | C15 | C16 | N18 | 179.3° | 179.9° |
| C13 | C15 | C16 | N20 | 179.7° | 180.0° |
| C13 | C15 | N18 | C19 | 179.7° | 179.9° |
| C13 | C15 | N18 | C22 | 1.6° | 0.1° |
| C15 | C16 | N20 | C25 | 179.4° | 180.0° |
| C15 | C16 | N20 | C19 | 0.0° | 0.1° |
| C16 | C15 | N18 | C19 | 0.5° | 0.0° |
| C16 | C15 | N18 | C22 | 179.1° | 180.0° |
| C16 | C15 | C13 | H14 | 179.9° | 180.0° |
| N20 | C16 | C15 | N18 | 0.3° | 0.1° |
| C16 | N20 | C25 | C26 | 61.3° | 120.4° |
| C16 | N20 | C25 | C30 | 59.4° | 120.0° |
| C16 | N20 | C25 | C19 | 179.3° | 179.9° |
| C16 | N20 | C19 | N18 | 0.3° | 0.1° |
| C16 | N20 | C19 | O21 | 179.7° | 180.0° |
| C16 | N20 | C25 | H15 | 179.1° | 0.2° |
| O28 | C27 | C26 | H7 | 120.2° | 120.0° |
| O28 | C27 | C26 | H8 | 120.2° | 120.0° |
| O28 | C27 | C26 | C25 | 53.7° | 57.6° |
| C27 | O28 | C29 | C30 | 65.2° | 61.1° |
| O28 | C27 | H7 | H8 | 119.5° | 120.0° |
| C27 | O28 | C29 | H16 | 174.9° | 178.9° |
| C27 | O28 | C29 | H17 | 54.8° | 58.8° |
| O28 | C27 | C26 | H18 | 173.8° | 177.5° |
| O28 | C27 | C26 | H19 | 66.4° | 62.3° |
| C29 | O28 | C27 | C26 | 61.1° | 61.1° |
| O28 | C29 | C30 | H16 | 120.0° | 119.9° |
| O28 | C29 | C30 | H17 | 120.0° | 120.0° |
| O28 | C29 | C30 | C25 | 61.2° | 57.6° |
| C29 | O28 | C27 | H7 | 59.1° | 58.8° |
| C29 | O28 | C27 | H8 | 178.7° | 178.8° |
| O28 | C29 | C30 | H9 | 58.6° | 177.6° |
| O28 | C29 | C30 | H10 | 178.9° | 62.3° |
| O28 | C29 | H16 | H17 | 120.0° | 120.1° |
| C15 | N18 | C19 | N20 | 0.5° | 0.0° |
| C15 | N18 | C19 | C22 | 178.8° | 180.0° |
| C15 | N18 | C19 | O21 | 179.5° | 180.0° |
| C15 | N18 | C22 | C23 | 43.1° | 90.0° |
| C15 | N18 | C22 | H11 | 164.0° | 30.0° |
| C15 | N18 | C22 | H12 | 77.9° | 150.0° |
| N18 | C15 | C13 | H14 | 0.7° | 0.1° |
| C27 | C26 | C25 | H18 | 120.1° | 119.9° |
| C27 | C26 | C25 | H19 | 120.1° | 119.9° |
| C27 | C26 | C25 | C30 | 52.0° | 57.0° |
| C27 | C26 | C25 | N20 | 172.1° | 176.8° |
| C26 | C27 | H7 | H8 | 119.4° | 120.0° |
| C27 | C26 | C25 | H15 | 67.8° | 63.0° |
| C27 | C26 | H18 | H19 | 119.7° | 120.2° |
| C26 | C25 | C30 | C29 | 55.3° | 57.0° |
| C26 | C25 | C30 | N20 | 120.2° | 119.9° |
| C26 | C25 | C30 | H15 | 119.7° | 120.0° |
| C26 | C25 | N20 | H15 | 119.6° | 120.2° |
| C26 | C25 | N20 | C19 | 118.0° | 59.5° |
| C25 | C26 | C27 | H7 | 66.5° | 62.4° |
| C25 | C26 | C27 | H8 | 174.0° | 177.6° |
| C26 | C25 | C30 | H9 | 64.5° | 176.9° |
| C26 | C25 | C30 | H10 | 175.2° | 62.9° |
| C25 | C26 | H18 | H19 | 119.6° | 120.1° |
| C29 | C30 | C25 | H9 | 119.8° | 119.9° |
| C29 | C30 | C25 | H10 | 119.8° | 119.9° |
| C29 | C30 | C25 | N20 | 175.5° | 176.8° |
| C29 | C30 | H9 | H10 | 120.5° | 120.1° |
| C29 | C30 | C25 | H15 | 64.4° | 63.0° |
| C30 | C29 | H16 | H17 | 120.0° | 120.0° |
| C30 | C25 | N20 | H15 | 119.7° | 120.2° |
| C30 | C25 | N20 | C19 | 121.3° | 60.0° |
| C25 | C30 | H9 | H10 | 120.5° | 120.2° |
| C25 | C30 | C29 | H16 | 178.8° | 177.6° |
| C25 | C30 | C29 | H17 | 58.8° | 62.4° |
| C30 | C25 | C26 | H18 | 172.2° | 176.9° |
| C30 | C25 | C26 | H19 | 68.1° | 63.0° |
| C25 | N20 | C19 | N18 | 179.8° | 180.0° |
| C25 | N20 | C19 | O21 | 0.2° | 0.1° |
| N20 | C25 | C30 | H9 | 55.7° | 63.3° |
| N20 | C25 | C30 | H10 | 64.6° | 57.0° |
| N20 | C25 | C26 | H18 | 67.7° | 63.3° |
| N20 | C25 | C26 | H19 | 52.0° | 56.9° |
| N20 | C19 | N18 | O21 | 180.0° | 179.9° |
| N20 | C19 | N18 | C22 | 179.2° | 180.0° |
| C19 | N20 | C25 | H15 | 1.6° | 179.8° |
| C19 | N18 | C22 | C23 | 138.6° | 90.0° |
| C19 | N18 | C22 | H11 | 17.6° | 150.0° |
| C19 | N18 | C22 | H12 | 100.5° | 30.0° |
| C22 | N18 | C19 | O21 | 0.7° | 0.0° |
| N18 | C22 | C23 | O24 | 43.4° | 65.0° |
| N18 | C22 | C23 | H11 | 120.9° | 120.0° |
| N18 | C22 | C23 | H12 | 120.9° | 120.0° |
| N18 | C22 | C23 | H5 | 77.0° | 175.0° |
| N18 | C22 | C23 | H6 | 163.7° | 55.0° |
| N18 | C22 | H11 | H12 | 117.1° | 120.0° |
| O24 | C23 | C22 | H5 | 120.4° | 120.0° |
| O24 | C23 | C22 | H6 | 120.4° | 120.0° |
| O24 | C23 | H5 | H6 | 118.9° | 120.0° |
| O24 | C23 | C22 | H11 | 77.6° | 175.0° |
| O24 | C23 | C22 | H12 | 164.3° | 55.0° |
| C22 | C23 | H5 | H6 | 118.9° | 120.0° |
| C23 | C22 | H11 | H12 | 117.1° | 120.0° |
| C22 | C23 | O24 | H13 | 180.0° | 179.9° |
| H2 | C4 | C6 | H3 | 0.3° | 0.0° |
| H5 | C23 | C22 | H11 | 162.1° | 55.0° |
| H5 | C23 | C22 | H12 | 43.9° | 65.0° |
| H5 | C23 | O24 | H13 | 59.6° | 60.0° |
| H6 | C23 | C22 | H11 | 42.8° | 65.0° |
| H6 | C23 | C22 | H12 | 75.3° | 175.0° |
| H6 | C23 | O24 | H13 | 59.6° | 60.1° |
| H7 | C27 | C26 | H18 | 53.7° | 57.5° |
| H7 | C27 | C26 | H19 | 173.4° | 177.7° |
| H8 | C27 | C26 | H18 | 65.9° | 62.5° |
| H8 | C27 | C26 | H19 | 53.8° | 57.7° |
| H9 | C30 | C25 | H15 | 175.8° | 56.9° |
| H9 | C30 | C29 | H16 | 61.4° | 62.5° |
| H9 | C30 | C29 | H17 | 178.6° | 57.5° |
| H10 | C30 | C25 | H15 | 55.5° | 177.1° |
| H10 | C30 | C29 | H16 | 58.9° | 57.7° |
| H10 | C30 | C29 | H17 | 61.1° | 177.7° |
| H15 | C25 | C26 | H18 | 52.4° | 56.9° |
| H15 | C25 | C26 | H19 | 172.1° | 177.1° |
