GNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.26Å | 1.23Å | |
| C10 | N9 | sing | 1.41Å | 1.33Å | |
| C10 | C12 | sing | 1.43Å | 1.53Å | |
| N20 | C21 | doub | 1.34Å | 1.33Å | Aromatic |
| N20 | O13 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C9 | sing | 1.44Å | 1.39Å | Aromatic |
| C21 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | CL26 | sing | 1.72Å | 1.73Å | |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | CL29 | sing | 1.73Å | 1.73Å | |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O21 | sing | 1.37Å | 1.36Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.44Å | 1.39Å | Aromatic |
| C13 | O13 | sing | 1.35Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.45Å | 1.47Å | |
| N9 | H9 | sing | 1.01Å | 1.02Å | |
| C8 | C7 | sing | 1.52Å | 1.53Å | |
| C8 | H8C1 | sing | 1.09Å | 1.12Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C7 | O21 | sing | 1.42Å | 1.44Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.12Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C2 | sing | 1.49Å | 1.53Å | |
| C31 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.22Å | 1.25Å | |
| C | O3 | sing | 1.36Å | 1.25Å | |
| C | C2 | sing | 1.51Å | 1.53Å | |
| O3 | HA | sing | 0.98Å | 0.95Å | |
| C2 | H2C1 | sing | 1.10Å | 1.11Å | |
| C2 | H2C2 | sing | 1.10Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | N9 | 124.1° | 120.9° |
| O11 | C10 | C12 | 121.3° | 121.4° |
| N9 | C10 | C12 | 114.7° | 117.7° |
| C10 | N9 | C8 | 122.9° | 124.3° |
| C10 | N9 | H9 | 118.6° | 118.5° |
| C10 | C12 | C21 | 127.0° | 130.1° |
| C10 | C12 | C13 | 125.2° | 126.5° |
| C21 | N20 | O13 | 109.4° | 105.0° |
| N20 | C21 | C9 | 126.1° | 120.3° |
| N20 | C21 | C12 | 108.0° | 112.3° |
| N20 | O13 | C13 | 106.7° | 109.0° |
| C9 | C21 | C12 | 125.9° | 127.3° |
| C21 | C9 | C3 | 118.6° | 119.8° |
| C21 | C9 | C31 | 122.0° | 119.9° |
| C21 | C12 | C13 | 107.7° | 103.5° |
| C27 | C28 | C23 | 119.7° | 120.0° |
| C27 | C28 | CL26 | 120.1° | 120.1° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C28 | C27 | H27 | 119.9° | 119.9° |
| C23 | C28 | CL26 | 120.1° | 119.9° |
| C28 | C23 | C24 | 119.9° | 120.0° |
| C28 | C23 | H23 | 120.0° | 120.8° |
| C26 | C27 | H27 | 119.9° | 120.1° |
| C27 | C26 | C25 | 120.2° | 119.8° |
| C27 | C26 | CL29 | 119.9° | 119.1° |
| C25 | C26 | CL29 | 119.9° | 121.2° |
| C26 | C25 | C24 | 119.4° | 120.5° |
| C26 | C25 | O21 | 118.8° | 121.0° |
| C24 | C25 | O21 | 121.7° | 118.5° |
| C25 | C24 | C23 | 120.5° | 119.8° |
| C25 | C24 | H24 | 119.8° | 120.6° |
| C25 | O21 | C7 | 113.6° | 116.8° |
| C23 | C24 | H24 | 119.7° | 119.6° |
| C24 | C23 | H23 | 120.0° | 119.2° |
| C14 | C13 | O13 | 124.3° | 115.0° |
| C14 | C13 | C12 | 127.4° | 134.8° |
| C13 | C14 | C19 | 119.4° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| O13 | C13 | C12 | 108.2° | 110.2° |
| C19 | C14 | C15 | 119.8° | 120.0° |
| C14 | C19 | C18 | 120.3° | 120.0° |
| C14 | C19 | H19 | 119.9° | 120.9° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.9° |
| C18 | C19 | H19 | 119.9° | 119.2° |
| C19 | C18 | C17 | 119.8° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 119.0° |
| C8 | N9 | H9 | 118.6° | 117.0° |
| N9 | C8 | C7 | 109.1° | 109.6° |
| N9 | C8 | H8C1 | 112.4° | 108.3° |
| N9 | C8 | H8C2 | 112.4° | 108.2° |
| C7 | C8 | H8C1 | 112.4° | 111.2° |
| C7 | C8 | H8C2 | 112.4° | 110.4° |
| C8 | C7 | O21 | 109.2° | 109.4° |
| C8 | C7 | H7C1 | 112.3° | 110.0° |
| C8 | C7 | H7C2 | 112.3° | 111.6° |
| H8C1 | C8 | H8C2 | 98.0° | 109.1° |
| O21 | C7 | H7C1 | 112.3° | 108.0° |
| O21 | C7 | H7C2 | 112.3° | 108.8° |
| H7C1 | C7 | H7C2 | 98.1° | 109.0° |
| C4 | C5 | C30 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 119.6° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C30 | C5 | H5 | 120.0° | 120.5° |
| C5 | C30 | C31 | 119.9° | 120.0° |
| C5 | C30 | C2 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C4 | C3 | C9 | 120.5° | 119.9° |
| C4 | C3 | H3 | 119.7° | 119.1° |
| C9 | C3 | H3 | 119.7° | 121.0° |
| C3 | C9 | C31 | 119.4° | 120.2° |
| C31 | C30 | C2 | 120.3° | 120.0° |
| C30 | C31 | C9 | 120.3° | 119.9° |
| C30 | C31 | H31 | 119.8° | 119.7° |
| C30 | C2 | C | 111.5° | 111.1° |
| C30 | C2 | H2C1 | 111.5° | 111.9° |
| C30 | C2 | H2C2 | 111.5° | 111.1° |
| C9 | C31 | H31 | 119.8° | 120.5° |
| O | C | O3 | 125.7° | 123.3° |
| O | C | C2 | 116.7° | 123.9° |
| O3 | C | C2 | 117.6° | 112.8° |
| C | O3 | HA | 109.5° | 115.3° |
| C | C2 | H2C1 | 111.5° | 109.7° |
| C | C2 | H2C2 | 111.5° | 107.7° |
| H2C1 | C2 | H2C2 | 98.9° | 105.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | N9 | C12 | 177.8° | 178.9° |
| O11 | C10 | C12 | C21 | 38.2° | 151.1° |
| O11 | C10 | C12 | C13 | 142.9° | 28.9° |
| O11 | C10 | N9 | C8 | 2.4° | 0.0° |
| O11 | C10 | N9 | H9 | 177.6° | 175.8° |
| N9 | C10 | C12 | C21 | 143.9° | 30.0° |
| N9 | C10 | C12 | C13 | 35.0° | 150.0° |
| C10 | N9 | C8 | H9 | 180.0° | 175.9° |
| C10 | N9 | C8 | C7 | 102.6° | 90.0° |
| C10 | N9 | C8 | H8C1 | 22.7° | 148.5° |
| C10 | N9 | C8 | H8C2 | 132.2° | 30.3° |
| C10 | C12 | C21 | N20 | 179.0° | 180.0° |
| C10 | C12 | C21 | C9 | 0.0° | 0.1° |
| C10 | C12 | C21 | C13 | 179.1° | 180.0° |
| C10 | C12 | C13 | C14 | 3.4° | 0.0° |
| C10 | C12 | C13 | O13 | 179.0° | 180.0° |
| C12 | C10 | N9 | C8 | 179.8° | 178.9° |
| C12 | C10 | N9 | H9 | 0.2° | 3.1° |
| N20 | C21 | C9 | C12 | 178.9° | 179.9° |
| C21 | N20 | O13 | C13 | 0.2° | 0.0° |
| N20 | C21 | C12 | C13 | 0.0° | 0.0° |
| N20 | C21 | C9 | C3 | 39.8° | 90.0° |
| N20 | C21 | C9 | C31 | 141.2° | 90.0° |
| O13 | N20 | C21 | C9 | 179.0° | 179.9° |
| O13 | N20 | C21 | C12 | 0.1° | 0.0° |
| N20 | O13 | C13 | C14 | 175.9° | 180.0° |
| N20 | O13 | C13 | C12 | 0.2° | 0.0° |
| C9 | C21 | C12 | C13 | 179.1° | 179.9° |
| C21 | C9 | C3 | C4 | 179.0° | 180.0° |
| C21 | C9 | C3 | C31 | 179.1° | 179.9° |
| C21 | C9 | C3 | H3 | 1.1° | 0.1° |
| C21 | C9 | C31 | C30 | 178.9° | 179.9° |
| C21 | C9 | C31 | H31 | 1.0° | 0.0° |
| C21 | C12 | C13 | C14 | 175.7° | 180.0° |
| C21 | C12 | C13 | O13 | 0.1° | 0.0° |
| C12 | C21 | C9 | C3 | 139.1° | 90.1° |
| C12 | C21 | C9 | C31 | 40.0° | 90.0° |
| C27 | C28 | C23 | CL26 | 179.9° | 180.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C28 | C27 | C26 | CL29 | 179.5° | 180.0° |
| C27 | C28 | C23 | C24 | 0.0° | 0.1° |
| C27 | C28 | C23 | H23 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.0° | 0.1° |
| C23 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C24 | H23 | 180.0° | 179.9° |
| C28 | C23 | C24 | H24 | 179.9° | 180.0° |
| CL26 | C28 | C27 | C26 | 179.9° | 179.9° |
| CL26 | C28 | C27 | H27 | 0.0° | 0.0° |
| CL26 | C28 | C23 | C24 | 179.9° | 179.9° |
| CL26 | C28 | C23 | H23 | 0.1° | 0.0° |
| C27 | C26 | C25 | CL29 | 179.6° | 179.9° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | O21 | 176.5° | 179.9° |
| H27 | C27 | C26 | C25 | 179.9° | 180.0° |
| H27 | C27 | C26 | CL29 | 0.5° | 0.1° |
| C26 | C25 | C24 | O21 | 176.5° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H24 | 179.9° | 180.0° |
| C26 | C25 | O21 | C7 | 143.8° | 120.0° |
| CL29 | C26 | C25 | C24 | 179.4° | 180.0° |
| CL29 | C26 | C25 | O21 | 3.9° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | H23 | 179.9° | 180.0° |
| C24 | C25 | O21 | C7 | 39.6° | 60.0° |
| O21 | C25 | C24 | C23 | 176.4° | 179.9° |
| O21 | C25 | C24 | H24 | 3.6° | 0.0° |
| C25 | O21 | C7 | C8 | 178.3° | 179.7° |
| C25 | O21 | C7 | H7C1 | 56.5° | 60.0° |
| C25 | O21 | C7 | H7C2 | 53.0° | 58.2° |
| H24 | C24 | C23 | H23 | 0.1° | 0.1° |
| C14 | C13 | O13 | C12 | 175.7° | 180.0° |
| C13 | C14 | C19 | C15 | 179.9° | 179.9° |
| C13 | C14 | C19 | C18 | 179.9° | 179.9° |
| C13 | C14 | C19 | H19 | 0.0° | 0.1° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 0.0° | 0.1° |
| O13 | C13 | C14 | C19 | 46.0° | 89.9° |
| O13 | C13 | C14 | C15 | 134.1° | 90.0° |
| C12 | C13 | C14 | C19 | 128.9° | 90.0° |
| C12 | C13 | C14 | C15 | 51.0° | 90.1° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C14 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C14 | C15 | C16 | 0.1° | 0.1° |
| C19 | C14 | C15 | H15 | 179.8° | 180.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C15 | C14 | C19 | H19 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| H19 | C19 | C18 | C17 | 180.0° | 180.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.1° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H16 | 180.0° | 179.9° |
| H18 | C18 | C17 | C16 | 179.9° | 179.9° |
| H18 | C18 | C17 | H17 | 0.1° | 0.2° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| H17 | C17 | C16 | C15 | 179.9° | 180.0° |
| H17 | C17 | C16 | H16 | 0.0° | 0.1° |
| H16 | C16 | C15 | H15 | 0.1° | 0.1° |
| N9 | C8 | C7 | H8C1 | 125.3° | 119.7° |
| N9 | C8 | C7 | H8C2 | 125.3° | 119.0° |
| N9 | C8 | H8C1 | H8C2 | 118.3° | 117.6° |
| N9 | C8 | C7 | O21 | 57.0° | 61.5° |
| N9 | C8 | C7 | H7C1 | 177.7° | 180.0° |
| N9 | C8 | C7 | H7C2 | 68.3° | 58.9° |
| H9 | N9 | C8 | C7 | 77.5° | 94.1° |
| H9 | N9 | C8 | H8C1 | 157.2° | 27.4° |
| H9 | N9 | C8 | H8C2 | 47.8° | 145.5° |
| C7 | C8 | H8C1 | H8C2 | 118.3° | 122.0° |
| C8 | C7 | O21 | H7C1 | 125.3° | 119.7° |
| C8 | C7 | O21 | H7C2 | 125.3° | 122.1° |
| C8 | C7 | H7C1 | H7C2 | 118.2° | 122.7° |
| H8C1 | C8 | C7 | O21 | 177.7° | 58.2° |
| H8C1 | C8 | C7 | H7C1 | 52.4° | 60.3° |
| H8C1 | C8 | C7 | H7C2 | 57.0° | 178.6° |
| H8C2 | C8 | C7 | O21 | 68.3° | 179.4° |
| H8C2 | C8 | C7 | H7C1 | 57.0° | 61.0° |
| H8C2 | C8 | C7 | H7C2 | 166.5° | 60.2° |
| O21 | C7 | H7C1 | H7C2 | 118.2° | 118.0° |
| C4 | C5 | C30 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C9 | 0.1° | 0.1° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C30 | C31 | 0.0° | 0.0° |
| C4 | C5 | C30 | C2 | 179.1° | 180.0° |
| C30 | C5 | C4 | C3 | 0.0° | 0.1° |
| C30 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C30 | C31 | C2 | 179.1° | 180.0° |
| C5 | C30 | C31 | C9 | 0.1° | 0.0° |
| C5 | C30 | C31 | H31 | 180.0° | 180.0° |
| C5 | C30 | C2 | C | 95.2° | 90.0° |
| C5 | C30 | C2 | H2C1 | 139.6° | 33.0° |
| C5 | C30 | C2 | H2C2 | 30.1° | 150.0° |
| H5 | C5 | C4 | C3 | 180.0° | 180.0° |
| H5 | C5 | C4 | H4 | 0.0° | 0.0° |
| H5 | C5 | C30 | C31 | 180.0° | 180.0° |
| H5 | C5 | C30 | C2 | 0.9° | 0.0° |
| C4 | C3 | C9 | H3 | 180.0° | 179.9° |
| C4 | C3 | C9 | C31 | 0.1° | 0.0° |
| H4 | C4 | C3 | C9 | 179.9° | 180.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.1° |
| C3 | C9 | C31 | C30 | 0.1° | 0.0° |
| C3 | C9 | C31 | H31 | 179.9° | 179.9° |
| H3 | C3 | C9 | C31 | 179.8° | 180.0° |
| C30 | C31 | C9 | H31 | 180.0° | 179.9° |
| C31 | C30 | C2 | C | 85.7° | 90.0° |
| C31 | C30 | C2 | H2C1 | 39.5° | 147.0° |
| C31 | C30 | C2 | H2C2 | 149.0° | 30.0° |
| C2 | C30 | C31 | C9 | 179.0° | 180.0° |
| C2 | C30 | C31 | H31 | 1.0° | 0.0° |
| C30 | C2 | C | O | 155.6° | 4.3° |
| C30 | C2 | C | O3 | 24.8° | 177.3° |
| C30 | C2 | C | H2C1 | 125.3° | 124.2° |
| C30 | C2 | C | H2C2 | 125.3° | 121.9° |
| C30 | C2 | H2C1 | H2C2 | 117.3° | 120.7° |
| O | C | O3 | C2 | 179.6° | 178.4° |
| O | C | O3 | HA | 0.0° | 0.0° |
| O | C | C2 | H2C1 | 30.3° | 120.0° |
| O | C | C2 | H2C2 | 79.1° | 126.2° |
| O3 | C | C2 | H2C1 | 150.1° | 58.5° |
| O3 | C | C2 | H2C2 | 100.5° | 55.4° |
| C2 | C | O3 | HA | 179.5° | 178.5° |
| C | C2 | H2C1 | H2C2 | 117.4° | 115.6° |
