G56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| O3 | C9 | doub | 1.21Å | 1.21Å | |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C11 | doub | 1.21Å | 1.27Å | |
| C10 | C12 | sing | 1.53Å | 1.57Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C10 | N1 | sing | 1.47Å | 1.48Å | |
| C9 | N1 | sing | 1.35Å | 1.32Å | |
| C9 | C7 | sing | 1.51Å | 1.50Å | |
| C11 | O5 | sing | 1.34Å | 1.24Å | |
| C7 | O1 | sing | 1.43Å | 1.43Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C5 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| F2 | C8 | sing | 1.40Å | 1.37Å | |
| C2 | O2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | F1 | sing | 1.40Å | 1.31Å | |
| C8 | F3 | sing | 1.40Å | 1.34Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 122.9° | 120.0° |
| C17 | C18 | C13 | 115.2° | 120.0° |
| C17 | C18 | H5 | 122.4° | 120.0° |
| C18 | C17 | H6 | 118.5° | 120.0° |
| C17 | C16 | C15 | 121.6° | 120.0° |
| C16 | C17 | H6 | 118.5° | 120.0° |
| C17 | C16 | H7 | 119.2° | 120.0° |
| C18 | C13 | C14 | 120.6° | 120.0° |
| C18 | C13 | C12 | 120.7° | 120.0° |
| C13 | C18 | H5 | 122.4° | 119.9° |
| C16 | C15 | C14 | 116.1° | 120.0° |
| C15 | C16 | H7 | 119.2° | 120.0° |
| C16 | C15 | H8 | 122.0° | 120.0° |
| O3 | C9 | N1 | 124.7° | 120.1° |
| O3 | C9 | C7 | 117.8° | 120.0° |
| C14 | C13 | C12 | 118.7° | 120.0° |
| C13 | C14 | C15 | 123.6° | 120.0° |
| C13 | C14 | H9 | 118.2° | 120.0° |
| C13 | C12 | C10 | 115.9° | 109.5° |
| C13 | C12 | H3 | 107.8° | 109.5° |
| C13 | C12 | H4 | 107.8° | 109.5° |
| C14 | C15 | H8 | 121.9° | 120.1° |
| C15 | C14 | H9 | 118.2° | 120.0° |
| O4 | C11 | C10 | 121.2° | 120.0° |
| O4 | C11 | O5 | 124.4° | 120.0° |
| C12 | C10 | C11 | 108.7° | 109.5° |
| C12 | C10 | N1 | 108.0° | 109.5° |
| C12 | C10 | H2 | 109.3° | 109.5° |
| C10 | C12 | H3 | 107.8° | 109.5° |
| C10 | C12 | H4 | 107.9° | 109.5° |
| C11 | C10 | N1 | 109.7° | 109.5° |
| C10 | C11 | O5 | 114.3° | 120.0° |
| C11 | C10 | H2 | 110.6° | 109.5° |
| C10 | N1 | C9 | 123.0° | 119.9° |
| N1 | C10 | H2 | 110.5° | 109.5° |
| C10 | N1 | H10 | 118.5° | 120.0° |
| N1 | C9 | C7 | 117.5° | 120.0° |
| C9 | N1 | H10 | 118.5° | 120.1° |
| C9 | C7 | O1 | 112.8° | 109.5° |
| C9 | C7 | H11 | 108.6° | 109.5° |
| C9 | C7 | H12 | 108.6° | 109.4° |
| C11 | O5 | H1 | 109.5° | 117.0° |
| C7 | O1 | C5 | 121.4° | 117.0° |
| O1 | C7 | H11 | 108.6° | 109.5° |
| O1 | C7 | H12 | 108.6° | 109.5° |
| C1 | C6 | C5 | 120.8° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C1 | C6 | H13 | 119.6° | 119.9° |
| C6 | C1 | H14 | 120.0° | 120.0° |
| C6 | C5 | O1 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C5 | C6 | H13 | 119.6° | 120.1° |
| O1 | C5 | C4 | 119.4° | 120.0° |
| C1 | C2 | O2 | 120.3° | 120.0° |
| C1 | C2 | C3 | 118.6° | 120.0° |
| C2 | C1 | H14 | 120.1° | 120.0° |
| C5 | C4 | C3 | 117.3° | 120.0° |
| C5 | C4 | H15 | 121.3° | 120.1° |
| F2 | C8 | O2 | 110.2° | 109.5° |
| F2 | C8 | F1 | 111.4° | 109.5° |
| F2 | C8 | F3 | 110.9° | 109.4° |
| O2 | C2 | C3 | 120.7° | 120.0° |
| C2 | O2 | C8 | 117.1° | 117.0° |
| C2 | C3 | C4 | 122.4° | 120.0° |
| C2 | C3 | H16 | 118.8° | 120.0° |
| C3 | C4 | H15 | 121.3° | 120.0° |
| C4 | C3 | H16 | 118.8° | 120.0° |
| O2 | C8 | F1 | 105.0° | 109.5° |
| O2 | C8 | F3 | 113.9° | 109.5° |
| F1 | C8 | F3 | 105.2° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C17 | C18 | C13 | H5 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 1.9° | 0.0° |
| C17 | C18 | C13 | C14 | 2.0° | 0.0° |
| C17 | C18 | C13 | C12 | 177.4° | 179.7° |
| C18 | C17 | C16 | H7 | 178.1° | 180.0° |
| C16 | C17 | C18 | C13 | 2.3° | 0.0° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.0° | 0.1° |
| C16 | C17 | C18 | H5 | 177.7° | 180.0° |
| C17 | C16 | C15 | H8 | 179.0° | 180.0° |
| C18 | C13 | C14 | C12 | 179.4° | 179.7° |
| C18 | C13 | C14 | C15 | 1.4° | 0.0° |
| C18 | C13 | C12 | C10 | 69.3° | 89.7° |
| C18 | C13 | C12 | H3 | 169.8° | 150.3° |
| C18 | C13 | C12 | H4 | 51.7° | 30.3° |
| C13 | C18 | C17 | H6 | 177.7° | 180.0° |
| C18 | C13 | C14 | H9 | 178.6° | 179.7° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C15 | C16 | C17 | H6 | 178.1° | 180.0° |
| C16 | C15 | C14 | H9 | 179.2° | 179.8° |
| O3 | C9 | N1 | C10 | 6.7° | 0.0° |
| O3 | C9 | N1 | C7 | 178.3° | 180.0° |
| O3 | C9 | C7 | O1 | 177.2° | 0.0° |
| O3 | C9 | N1 | H10 | 173.3° | 180.0° |
| O3 | C9 | C7 | H11 | 62.2° | 120.1° |
| O3 | C9 | C7 | H12 | 56.7° | 120.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.7° |
| C14 | C13 | C12 | C10 | 111.3° | 90.0° |
| C14 | C13 | C12 | H3 | 9.6° | 30.0° |
| C14 | C13 | C12 | H4 | 127.7° | 150.0° |
| C14 | C13 | C18 | H5 | 178.0° | 180.0° |
| C13 | C14 | C15 | H8 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 178.0° | 179.7° |
| C13 | C12 | C10 | H3 | 120.9° | 120.0° |
| C13 | C12 | C10 | H4 | 120.9° | 120.0° |
| C13 | C12 | C10 | C11 | 60.5° | 175.0° |
| C13 | C12 | C10 | N1 | 179.5° | 65.0° |
| C13 | C12 | C10 | H2 | 60.2° | 55.0° |
| C13 | C12 | H3 | H4 | 117.1° | 120.0° |
| C12 | C13 | C18 | H5 | 2.6° | 0.3° |
| C12 | C13 | C14 | H9 | 2.0° | 0.0° |
| C14 | C15 | C16 | H7 | 179.0° | 179.9° |
| O4 | C11 | C10 | C12 | 87.6° | 120.0° |
| O4 | C11 | C10 | O5 | 177.3° | 180.0° |
| O4 | C11 | C10 | N1 | 154.6° | 0.0° |
| O4 | C11 | O5 | H1 | 0.0° | 0.1° |
| O4 | C11 | C10 | H2 | 32.4° | 120.0° |
| C12 | C10 | C11 | N1 | 117.9° | 120.0° |
| C12 | C10 | C11 | H2 | 120.0° | 120.0° |
| C12 | C10 | N1 | H2 | 119.5° | 120.0° |
| C12 | C10 | N1 | C9 | 87.2° | 155.0° |
| C12 | C10 | C11 | O5 | 89.7° | 60.0° |
| C10 | C12 | H3 | H4 | 117.1° | 120.0° |
| C12 | C10 | N1 | H10 | 92.8° | 25.0° |
| C11 | C10 | N1 | H2 | 122.2° | 120.0° |
| C11 | C10 | N1 | C9 | 154.5° | 85.0° |
| C10 | C11 | O5 | H1 | 177.2° | 180.0° |
| C11 | C10 | C12 | H3 | 60.4° | 65.0° |
| C11 | C10 | C12 | H4 | 178.5° | 55.0° |
| C11 | C10 | N1 | H10 | 25.5° | 95.0° |
| C10 | N1 | C9 | H10 | 180.0° | 180.0° |
| C10 | N1 | C9 | C7 | 175.0° | 180.0° |
| N1 | C10 | C11 | O5 | 28.2° | 180.0° |
| N1 | C10 | C12 | H3 | 58.5° | 55.0° |
| N1 | C10 | C12 | H4 | 59.6° | 175.0° |
| N1 | C9 | C7 | O1 | 1.2° | 180.0° |
| C9 | N1 | C10 | H2 | 32.3° | 35.0° |
| N1 | C9 | C7 | H11 | 119.3° | 59.9° |
| N1 | C9 | C7 | H12 | 121.7° | 60.0° |
| C9 | C7 | O1 | H11 | 120.5° | 120.0° |
| C9 | C7 | O1 | H12 | 120.5° | 120.0° |
| C9 | C7 | O1 | C5 | 109.1° | 180.0° |
| C7 | C9 | N1 | H10 | 5.0° | 0.0° |
| C9 | C7 | H11 | H12 | 118.5° | 119.9° |
| O5 | C11 | C10 | H2 | 150.3° | 60.0° |
| C7 | O1 | C5 | C6 | 64.4° | 0.3° |
| C7 | O1 | C5 | C4 | 115.5° | 180.0° |
| O1 | C7 | H11 | H12 | 118.5° | 120.0° |
| C1 | C6 | C5 | H13 | 180.0° | 180.0° |
| C1 | C6 | C5 | O1 | 176.1° | 180.0° |
| C6 | C1 | C2 | H14 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 4.0° | 0.2° |
| C6 | C1 | C2 | O2 | 177.6° | 180.0° |
| C6 | C1 | C2 | C3 | 5.1° | 0.2° |
| C6 | C5 | O1 | C4 | 179.9° | 179.8° |
| C5 | C6 | C1 | C2 | 3.6° | 0.0° |
| C6 | C5 | C4 | C3 | 5.7° | 0.2° |
| C5 | C6 | C1 | H14 | 176.4° | 180.0° |
| C6 | C5 | C4 | H15 | 174.3° | 179.8° |
| O1 | C5 | C4 | C3 | 174.5° | 180.0° |
| C5 | O1 | C7 | H11 | 130.4° | 60.0° |
| C5 | O1 | C7 | H12 | 11.4° | 60.0° |
| O1 | C5 | C6 | H13 | 3.9° | 0.0° |
| O1 | C5 | C4 | H15 | 5.6° | 0.0° |
| C1 | C2 | O2 | C3 | 172.3° | 179.8° |
| C1 | C2 | C3 | C4 | 7.2° | 0.2° |
| C1 | C2 | O2 | C8 | 125.1° | 180.0° |
| C2 | C1 | C6 | H13 | 176.4° | 180.0° |
| C1 | C2 | C3 | H16 | 172.9° | 179.7° |
| C5 | C4 | C3 | C2 | 7.4° | 0.0° |
| C5 | C4 | C3 | H15 | 180.0° | 180.0° |
| C4 | C5 | C6 | H13 | 176.0° | 179.8° |
| C5 | C4 | C3 | H16 | 172.6° | 179.9° |
| F2 | C8 | O2 | C2 | 43.5° | 180.0° |
| F2 | C8 | O2 | F1 | 120.1° | 120.0° |
| F2 | C8 | O2 | F3 | 125.3° | 120.0° |
| F2 | C8 | F1 | F3 | 120.2° | 120.0° |
| O2 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | O2 | C8 | F1 | 163.6° | 60.0° |
| C2 | O2 | C8 | F3 | 81.9° | 60.0° |
| O2 | C2 | C1 | H14 | 2.4° | 0.0° |
| O2 | C2 | C3 | H16 | 0.4° | 0.1° |
| C2 | C3 | C4 | H16 | 180.0° | 179.9° |
| C3 | C2 | O2 | C8 | 62.6° | 0.2° |
| C3 | C2 | C1 | H14 | 174.9° | 179.8° |
| C2 | C3 | C4 | H15 | 172.6° | 180.0° |
| O2 | C8 | F1 | F3 | 120.5° | 120.0° |
| H2 | C10 | C12 | H3 | 178.8° | 175.0° |
| H2 | C10 | C12 | H4 | 60.7° | 65.0° |
| H2 | C10 | N1 | H10 | 147.7° | 145.0° |
| H5 | C18 | C17 | H6 | 2.3° | 0.0° |
| H6 | C17 | C16 | H7 | 1.9° | 0.0° |
| H7 | C16 | C15 | H8 | 1.0° | 0.0° |
| H8 | C15 | C14 | H9 | 0.8° | 0.3° |
| H13 | C6 | C1 | H14 | 3.6° | 0.0° |
| H15 | C4 | C3 | H16 | 7.4° | 0.1° |
