G9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.45Å | |
| O30 | C26 | sing | 1.36Å | 1.38Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| CL | C27 | sing | 1.74Å | 1.72Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.53Å | |
| C28 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N13 | sing | 1.40Å | 1.35Å | |
| C20 | C19 | sing | 1.51Å | 1.59Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.23Å | |
| N13 | C19 | sing | 1.35Å | 1.40Å | |
| N13 | C11 | sing | 1.46Å | 1.53Å | |
| S15 | C16 | sing | 1.76Å | 1.71Å | Aromatic |
| S15 | C14 | sing | 1.76Å | 1.71Å | Aromatic |
| C19 | O22 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.57Å | |
| C10 | N9 | sing | 1.35Å | 1.34Å | |
| C8 | N9 | sing | 1.46Å | 1.49Å | |
| C11 | C14 | sing | 1.51Å | 1.57Å | |
| C16 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | C18 | doub | 1.33Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C1 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | CL1 | sing | 1.80Å | 2.85Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C26 | 116.6° | 117.0° |
| O30 | C31 | H14 | 109.5° | 109.5° |
| O30 | C31 | H15 | 109.4° | 109.5° |
| O30 | C31 | H16 | 109.5° | 109.5° |
| O30 | C26 | C25 | 124.7° | 120.0° |
| O30 | C26 | C27 | 116.9° | 120.0° |
| C5 | C6 | C1 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H2 | 119.9° | 119.9° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C6 | C1 | C2 | 119.8° | 120.0° |
| C1 | C6 | H3 | 119.9° | 120.0° |
| C6 | C1 | H23 | 120.1° | 120.0° |
| C5 | C4 | C3 | 119.4° | 120.0° |
| C5 | C4 | H1 | 120.3° | 120.0° |
| C4 | C5 | H2 | 119.9° | 120.1° |
| C25 | C26 | C27 | 118.4° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C26 | C25 | H17 | 119.9° | 120.0° |
| C26 | C27 | CL | 118.5° | 120.0° |
| C26 | C27 | C28 | 121.8° | 120.0° |
| C25 | C24 | C23 | 120.8° | 120.0° |
| C25 | C24 | H12 | 119.6° | 120.0° |
| C24 | C25 | H17 | 119.9° | 119.9° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | H22 | 120.1° | 120.0° |
| C2 | C1 | H23 | 120.1° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C4 | C3 | C7 | 119.6° | 120.0° |
| C3 | C4 | H1 | 120.3° | 120.0° |
| CL | C27 | C28 | 119.7° | 120.0° |
| C27 | C28 | C23 | 120.0° | 120.0° |
| C27 | C28 | H13 | 120.0° | 120.0° |
| C24 | C23 | C28 | 118.7° | 120.0° |
| C24 | C23 | N13 | 120.8° | 120.0° |
| C23 | C24 | H12 | 119.6° | 120.0° |
| C2 | C3 | C7 | 119.8° | 120.1° |
| C3 | C2 | H22 | 120.1° | 119.9° |
| C3 | C7 | C8 | 111.3° | 109.5° |
| C3 | C7 | H4 | 109.0° | 109.5° |
| C3 | C7 | H5 | 109.0° | 109.5° |
| C28 | C23 | N13 | 120.4° | 120.0° |
| C23 | C28 | H13 | 120.0° | 120.0° |
| C23 | N13 | C19 | 125.0° | 120.0° |
| C23 | N13 | C11 | 113.0° | 120.0° |
| C20 | C19 | N13 | 129.4° | 120.0° |
| C20 | C19 | O22 | 115.8° | 120.0° |
| C19 | C20 | H9 | 118.6° | 109.5° |
| C19 | C20 | H10 | 118.6° | 109.5° |
| C19 | C20 | CL1 | 67.8° | 109.5° |
| C7 | C8 | N9 | 114.0° | 109.5° |
| C8 | C7 | H4 | 109.0° | 109.5° |
| C8 | C7 | H5 | 109.0° | 109.5° |
| C7 | C8 | H6 | 108.3° | 109.5° |
| C7 | C8 | H7 | 108.3° | 109.5° |
| O12 | C10 | C11 | 119.8° | 120.0° |
| O12 | C10 | N9 | 120.4° | 120.0° |
| C19 | N13 | C11 | 121.9° | 120.0° |
| N13 | C19 | O22 | 114.7° | 120.0° |
| N13 | C11 | C10 | 108.9° | 109.5° |
| N13 | C11 | C14 | 117.7° | 109.4° |
| N13 | C11 | H18 | 105.7° | 109.5° |
| C16 | S15 | C14 | 94.8° | 91.0° |
| S15 | C16 | C17 | 106.7° | 109.6° |
| S15 | C16 | H20 | 126.6° | 125.2° |
| S15 | C14 | C11 | 125.9° | 125.2° |
| S15 | C14 | C18 | 107.6° | 109.6° |
| C11 | C10 | N9 | 119.8° | 120.0° |
| C10 | C11 | C14 | 112.8° | 109.5° |
| C10 | C11 | H18 | 105.3° | 109.5° |
| C10 | N9 | C8 | 121.6° | 120.0° |
| C10 | N9 | H21 | 119.2° | 120.0° |
| N9 | C8 | H6 | 108.3° | 109.5° |
| N9 | C8 | H7 | 108.3° | 109.4° |
| C8 | N9 | H21 | 119.2° | 120.0° |
| C11 | C14 | C18 | 126.5° | 125.2° |
| C14 | C11 | H18 | 105.3° | 109.4° |
| C16 | C17 | C18 | 116.6° | 114.9° |
| C16 | C17 | H8 | 121.7° | 122.6° |
| C17 | C16 | H20 | 126.7° | 125.2° |
| C14 | C18 | C17 | 114.3° | 114.9° |
| C14 | C18 | H19 | 122.8° | 122.6° |
| C18 | C17 | H8 | 121.7° | 122.5° |
| C17 | C18 | H19 | 122.9° | 122.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H9 | C20 | CL1 | 118.6° | 109.5° |
| H10 | C20 | CL1 | 118.6° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.4° |
| H14 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C26 | C25 | 6.7° | 0.0° |
| C31 | O30 | C26 | C27 | 172.8° | 180.0° |
| O30 | C31 | H14 | H15 | 120.0° | 120.0° |
| O30 | C31 | H14 | H16 | 120.0° | 120.0° |
| O30 | C31 | H15 | H16 | 120.0° | 120.0° |
| O30 | C26 | C25 | C27 | 179.5° | 180.0° |
| O30 | C26 | C25 | C24 | 179.9° | 180.0° |
| O30 | C26 | C27 | CL | 0.4° | 0.0° |
| O30 | C26 | C27 | C28 | 179.7° | 179.8° |
| C26 | O30 | C31 | H14 | 180.0° | 60.0° |
| C26 | O30 | C31 | H15 | 60.0° | 60.0° |
| C26 | O30 | C31 | H16 | 60.0° | 180.0° |
| O30 | C26 | C25 | H17 | 0.1° | 0.1° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.7° | 0.3° |
| C6 | C5 | C4 | C3 | 0.8° | 0.1° |
| C6 | C5 | C4 | H1 | 179.2° | 179.8° |
| C5 | C6 | C1 | H23 | 179.3° | 180.0° |
| C1 | C6 | C5 | C4 | 1.1° | 0.1° |
| C6 | C1 | C2 | H23 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.6° |
| C1 | C6 | C5 | H2 | 178.9° | 180.0° |
| C6 | C1 | C2 | H22 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.3° |
| C5 | C4 | C3 | C7 | 179.8° | 179.7° |
| C4 | C5 | C6 | H3 | 178.9° | 179.9° |
| C26 | C25 | C24 | H17 | 180.0° | 179.9° |
| C25 | C26 | C27 | CL | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C26 | C25 | C24 | C23 | 1.4° | 0.0° |
| C26 | C25 | C24 | H12 | 178.6° | 179.7° |
| C27 | C26 | C25 | C24 | 0.7° | 0.0° |
| C26 | C27 | CL | C28 | 179.9° | 179.8° |
| C26 | C27 | C28 | C23 | 0.4° | 0.4° |
| C26 | C27 | C28 | H13 | 179.6° | 180.0° |
| C27 | C26 | C25 | H17 | 179.4° | 179.9° |
| C25 | C24 | C23 | H12 | 180.0° | 179.7° |
| C25 | C24 | C23 | C28 | 1.6° | 0.2° |
| C25 | C24 | C23 | N13 | 178.7° | 179.8° |
| C1 | C2 | C3 | C4 | 0.2° | 0.6° |
| C1 | C2 | C3 | H22 | 180.0° | 179.5° |
| C1 | C2 | C3 | C7 | 179.8° | 179.5° |
| C2 | C1 | C6 | H3 | 179.3° | 179.7° |
| C4 | C3 | C2 | C7 | 179.9° | 180.0° |
| C4 | C3 | C7 | C8 | 116.8° | 90.0° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C4 | C3 | C7 | H4 | 122.9° | 30.0° |
| C4 | C3 | C7 | H5 | 3.5° | 150.0° |
| C4 | C3 | C2 | H22 | 179.8° | 180.0° |
| CL | C27 | C28 | C23 | 179.7° | 179.7° |
| CL | C27 | C28 | H13 | 0.3° | 0.2° |
| C27 | C28 | C23 | C24 | 1.1° | 0.4° |
| C27 | C28 | C23 | H13 | 180.0° | 179.6° |
| C27 | C28 | C23 | N13 | 178.3° | 179.5° |
| C24 | C23 | C28 | N13 | 177.2° | 180.0° |
| C24 | C23 | N13 | C19 | 90.1° | 6.1° |
| C24 | C23 | N13 | C11 | 87.4° | 173.9° |
| C24 | C23 | C28 | H13 | 179.0° | 180.0° |
| C23 | C24 | C25 | H17 | 178.6° | 179.9° |
| C2 | C3 | C7 | C8 | 63.3° | 90.0° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C2 | C3 | C7 | H4 | 57.0° | 150.0° |
| C2 | C3 | C7 | H5 | 176.5° | 30.0° |
| C3 | C2 | C1 | H23 | 180.0° | 179.7° |
| C3 | C7 | C8 | H4 | 120.3° | 120.1° |
| C3 | C7 | C8 | H5 | 120.3° | 120.0° |
| C3 | C7 | C8 | N9 | 77.0° | 180.0° |
| C7 | C3 | C4 | H1 | 0.2° | 0.0° |
| C3 | C7 | H4 | H5 | 119.1° | 120.0° |
| C3 | C7 | C8 | H6 | 43.7° | 60.0° |
| C3 | C7 | C8 | H7 | 162.3° | 60.0° |
| C7 | C3 | C2 | H22 | 0.1° | 0.0° |
| C28 | C23 | N13 | C19 | 92.7° | 174.0° |
| C28 | C23 | N13 | C11 | 89.8° | 6.1° |
| C28 | C23 | C24 | H12 | 178.4° | 179.9° |
| C23 | N13 | C19 | C20 | 4.4° | 174.8° |
| C23 | N13 | C19 | C11 | 177.3° | 180.0° |
| C23 | N13 | C19 | O22 | 178.5° | 5.2° |
| C23 | N13 | C11 | C10 | 89.1° | 54.6° |
| C23 | N13 | C11 | C14 | 41.0° | 65.4° |
| N13 | C23 | C24 | H12 | 1.2° | 0.0° |
| N13 | C23 | C28 | H13 | 1.8° | 0.0° |
| C23 | N13 | C11 | H18 | 158.2° | 174.6° |
| C20 | C19 | N13 | O22 | 177.0° | 179.9° |
| C20 | C19 | N13 | C11 | 172.9° | 5.3° |
| C19 | C20 | H9 | H10 | 140.5° | 120.0° |
| C19 | C20 | H9 | CL1 | 79.0° | 120.0° |
| C19 | C20 | H10 | CL1 | 79.0° | 120.0° |
| C7 | C8 | N9 | C10 | 100.1° | 180.0° |
| C7 | C8 | N9 | H6 | 120.7° | 120.1° |
| C7 | C8 | N9 | H7 | 120.7° | 120.0° |
| C8 | C7 | H4 | H5 | 119.2° | 120.0° |
| C7 | C8 | H6 | H7 | 117.9° | 120.0° |
| C7 | C8 | N9 | H21 | 79.9° | 0.0° |
| O12 | C10 | C11 | N13 | 20.3° | 5.2° |
| O12 | C10 | C11 | N9 | 179.0° | 179.9° |
| O12 | C10 | N9 | C8 | 2.3° | 0.1° |
| O12 | C10 | C11 | C14 | 153.0° | 125.2° |
| O12 | C10 | C11 | H18 | 92.7° | 114.8° |
| O12 | C10 | N9 | H21 | 177.7° | 180.0° |
| C19 | N13 | C11 | C10 | 88.6° | 125.5° |
| C19 | N13 | C11 | C14 | 141.4° | 114.6° |
| N13 | C19 | C20 | H9 | 90.2° | 54.9° |
| N13 | C19 | C20 | H10 | 46.8° | 65.0° |
| C19 | N13 | C11 | H18 | 24.1° | 5.4° |
| N13 | C19 | C20 | CL1 | 158.3° | 175.0° |
| N13 | C11 | C14 | S15 | 87.9° | 34.0° |
| C11 | N13 | C19 | O22 | 4.2° | 174.8° |
| N13 | C11 | C10 | C14 | 132.7° | 120.0° |
| N13 | C11 | C10 | H18 | 113.0° | 120.1° |
| N13 | C11 | C10 | N9 | 160.7° | 174.9° |
| N13 | C11 | C14 | H18 | 117.5° | 120.0° |
| N13 | C11 | C14 | C18 | 93.1° | 145.6° |
| C16 | S15 | C14 | C11 | 179.9° | 180.0° |
| S15 | C16 | C17 | H20 | 180.0° | 180.0° |
| C16 | S15 | C14 | C18 | 0.7° | 0.3° |
| S15 | C16 | C17 | C18 | 1.6° | 0.0° |
| S15 | C16 | C17 | H8 | 178.4° | 179.7° |
| S15 | C14 | C11 | C10 | 40.3° | 85.9° |
| S15 | C14 | C11 | C18 | 179.0° | 179.6° |
| C14 | S15 | C16 | C17 | 0.5° | 0.2° |
| S15 | C14 | C18 | C17 | 1.8° | 0.4° |
| S15 | C14 | C11 | H18 | 154.6° | 154.0° |
| S15 | C14 | C18 | H19 | 178.2° | 179.7° |
| C14 | S15 | C16 | H20 | 179.5° | 179.9° |
| O22 | C19 | C20 | H9 | 92.8° | 125.0° |
| O22 | C19 | C20 | H10 | 130.2° | 115.0° |
| O22 | C19 | C20 | CL1 | 18.7° | 4.9° |
| C11 | C10 | N9 | C8 | 176.6° | 180.0° |
| C10 | C11 | C14 | H18 | 114.3° | 120.0° |
| C10 | C11 | C14 | C18 | 138.7° | 94.4° |
| C11 | C10 | N9 | H21 | 3.4° | 0.1° |
| C10 | N9 | C8 | H21 | 180.0° | 179.9° |
| N9 | C10 | C11 | C14 | 28.0° | 54.9° |
| C10 | N9 | C8 | H6 | 20.5° | 59.9° |
| C10 | N9 | C8 | H7 | 139.2° | 60.0° |
| N9 | C10 | C11 | H18 | 86.3° | 65.1° |
| N9 | C8 | C7 | H4 | 162.8° | 60.0° |
| N9 | C8 | C7 | H5 | 43.3° | 60.0° |
| N9 | C8 | H6 | H7 | 117.9° | 120.0° |
| C11 | C14 | C18 | C17 | 179.1° | 179.9° |
| C11 | C14 | C18 | H19 | 1.0° | 0.0° |
| C16 | C17 | C18 | C14 | 2.3° | 0.2° |
| C16 | C17 | C18 | H8 | 180.0° | 179.7° |
| C16 | C17 | C18 | H19 | 177.6° | 179.8° |
| C14 | C18 | C17 | H19 | 180.0° | 179.9° |
| C14 | C18 | C17 | H8 | 177.7° | 180.0° |
| C18 | C14 | C11 | H18 | 24.4° | 25.6° |
| C18 | C17 | C16 | H20 | 178.4° | 180.0° |
| H1 | C4 | C5 | H2 | 0.8° | 0.3° |
| H2 | C5 | C6 | H3 | 1.1° | 0.0° |
| H3 | C6 | C1 | H23 | 0.7° | 0.0° |
| H4 | C7 | C8 | H6 | 76.6° | 60.1° |
| H4 | C7 | C8 | H7 | 42.1° | 180.0° |
| H5 | C7 | C8 | H6 | 164.0° | 180.0° |
| H5 | C7 | C8 | H7 | 77.4° | 60.0° |
| H6 | C8 | N9 | H21 | 159.5° | 120.0° |
| H7 | C8 | N9 | H21 | 40.8° | 120.0° |
| H8 | C17 | C18 | H19 | 2.3° | 0.1° |
| H8 | C17 | C16 | H20 | 1.6° | 0.2° |
| H9 | C20 | H10 | CL1 | 140.5° | 120.0° |
| H12 | C24 | C25 | H17 | 1.4° | 0.2° |
| H14 | C31 | H15 | H16 | 120.0° | 120.0° |
| H22 | C2 | C1 | H23 | 0.0° | 0.3° |
