H32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.21Å | |
| C07 | O09 | sing | 1.35Å | 1.24Å | |
| C07 | C05 | sing | 1.48Å | 1.50Å | |
| O11 | C10 | doub | 1.22Å | 1.17Å | |
| F20 | C18 | sing | 1.35Å | 1.33Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C04 | sing | 1.48Å | 1.46Å | |
| C10 | N12 | sing | 1.34Å | 1.36Å | |
| C06 | C01 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| O21 | C17 | sing | 1.36Å | 1.41Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | N12 | sing | 1.40Å | 1.45Å | |
| C14 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.44Å | |
| C01 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.35Å | Aromatic |
| C03 | C13 | sing | 1.51Å | 1.61Å | |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| O09 | H4 | sing | 0.97Å | 0.95Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | O09 | 124.1° | 120.0° |
| O08 | C07 | C05 | 124.3° | 120.0° |
| O09 | C07 | C05 | 111.6° | 120.0° |
| C07 | O09 | H4 | 109.5° | 117.0° |
| C07 | C05 | C06 | 119.0° | 120.3° |
| C07 | C05 | C04 | 118.7° | 120.2° |
| O11 | C10 | C04 | 122.3° | 124.9° |
| O11 | C10 | N12 | 119.6° | 124.9° |
| F20 | C18 | C19 | 116.0° | 120.0° |
| F20 | C18 | C17 | 122.6° | 120.0° |
| C06 | C05 | C04 | 122.1° | 119.5° |
| C05 | C06 | C01 | 118.6° | 120.2° |
| C05 | C06 | H3 | 120.7° | 119.9° |
| C05 | C04 | C10 | 137.0° | 132.3° |
| C05 | C04 | C03 | 117.4° | 119.3° |
| C04 | C10 | N12 | 118.0° | 110.3° |
| C10 | C04 | C03 | 105.5° | 108.4° |
| C10 | N12 | C14 | 128.0° | 125.7° |
| C10 | N12 | C13 | 103.1° | 108.6° |
| C06 | C01 | C02 | 118.7° | 120.3° |
| C06 | C01 | H1 | 120.7° | 119.8° |
| C01 | C06 | H3 | 120.7° | 119.9° |
| C18 | C19 | C14 | 121.0° | 119.9° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C18 | C19 | H9 | 119.5° | 120.0° |
| C19 | C14 | N12 | 122.1° | 120.0° |
| C19 | C14 | C15 | 117.9° | 120.0° |
| C14 | C19 | H9 | 119.5° | 120.0° |
| C18 | C17 | O21 | 121.2° | 120.0° |
| C18 | C17 | C16 | 116.9° | 120.0° |
| C04 | C03 | C02 | 119.8° | 120.4° |
| C04 | C03 | C13 | 105.0° | 106.4° |
| O21 | C17 | C16 | 121.9° | 120.0° |
| C17 | O21 | H10 | 109.5° | 114.0° |
| C17 | C16 | C15 | 122.3° | 120.1° |
| C17 | C16 | H8 | 118.9° | 120.0° |
| N12 | C14 | C15 | 120.0° | 120.0° |
| C14 | N12 | C13 | 128.8° | 125.7° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C14 | C15 | H7 | 119.8° | 120.0° |
| N12 | C13 | C03 | 108.3° | 106.3° |
| N12 | C13 | H5 | 109.7° | 110.1° |
| N12 | C13 | H6 | 109.7° | 110.1° |
| C01 | C02 | C03 | 123.2° | 120.3° |
| C02 | C01 | H1 | 120.6° | 119.9° |
| C01 | C02 | H2 | 118.4° | 119.9° |
| C02 | C03 | C13 | 135.2° | 133.2° |
| C03 | C02 | H2 | 118.4° | 119.8° |
| C03 | C13 | H5 | 109.8° | 110.1° |
| C03 | C13 | H6 | 109.8° | 110.1° |
| C16 | C15 | H7 | 119.7° | 120.0° |
| C15 | C16 | H8 | 118.9° | 120.0° |
| H5 | C13 | H6 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | O09 | C05 | 179.7° | 179.9° |
| O08 | C07 | C05 | C06 | 98.3° | 180.0° |
| O08 | C07 | C05 | C04 | 86.5° | 0.4° |
| O08 | C07 | O09 | H4 | 0.0° | 0.0° |
| O09 | C07 | C05 | C06 | 81.4° | 0.1° |
| O09 | C07 | C05 | C04 | 93.7° | 179.5° |
| C07 | C05 | C06 | C04 | 175.0° | 179.6° |
| C07 | C05 | C04 | C10 | 5.3° | 0.2° |
| C07 | C05 | C06 | C01 | 177.8° | 180.0° |
| C07 | C05 | C04 | C03 | 177.6° | 179.8° |
| C07 | C05 | C06 | H3 | 2.2° | 0.4° |
| C05 | C07 | O09 | H4 | 179.7° | 179.9° |
| O11 | C10 | C04 | C05 | 4.5° | 0.0° |
| O11 | C10 | C04 | N12 | 176.9° | 179.9° |
| O11 | C10 | C04 | C03 | 178.2° | 179.9° |
| O11 | C10 | N12 | C14 | 3.9° | 0.1° |
| O11 | C10 | N12 | C13 | 177.8° | 179.9° |
| F20 | C18 | C19 | C17 | 177.4° | 179.8° |
| F20 | C18 | C19 | C14 | 176.3° | 179.7° |
| F20 | C18 | C17 | O21 | 4.3° | 0.0° |
| F20 | C18 | C17 | C16 | 179.7° | 180.0° |
| F20 | C18 | C19 | H9 | 3.7° | 0.2° |
| C06 | C05 | C04 | C10 | 179.7° | 179.8° |
| C05 | C06 | C01 | H3 | 180.0° | 179.6° |
| C06 | C05 | C04 | C03 | 2.6° | 0.2° |
| C05 | C06 | C01 | C02 | 0.9° | 0.4° |
| C05 | C06 | C01 | H1 | 179.1° | 179.8° |
| C05 | C04 | C10 | C03 | 177.3° | 179.9° |
| C05 | C04 | C10 | N12 | 178.6° | 179.9° |
| C04 | C05 | C06 | C01 | 2.8° | 0.4° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | C13 | 179.0° | 180.0° |
| C04 | C05 | C06 | H3 | 177.2° | 180.0° |
| C04 | C10 | N12 | C14 | 179.0° | 180.0° |
| C04 | C10 | N12 | C13 | 0.8° | 0.0° |
| C10 | C04 | C03 | C02 | 178.4° | 180.0° |
| C10 | C04 | C03 | C13 | 1.0° | 0.0° |
| C10 | N12 | C14 | C19 | 20.9° | 179.8° |
| N12 | C10 | C04 | C03 | 1.3° | 0.0° |
| C10 | N12 | C14 | C13 | 177.8° | 180.0° |
| C10 | N12 | C14 | C15 | 156.3° | 0.1° |
| C10 | N12 | C13 | C03 | 0.0° | 0.0° |
| C10 | N12 | C13 | H5 | 119.8° | 119.3° |
| C10 | N12 | C13 | H6 | 119.9° | 119.2° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 1.2° | 0.2° |
| C06 | C01 | C02 | H2 | 178.8° | 179.8° |
| C18 | C19 | C14 | H9 | 180.0° | 179.5° |
| C19 | C18 | C17 | O21 | 178.4° | 179.8° |
| C19 | C18 | C17 | C16 | 2.5° | 0.2° |
| C18 | C19 | C14 | N12 | 179.4° | 179.7° |
| C18 | C19 | C14 | C15 | 2.2° | 0.5° |
| C14 | C19 | C18 | C17 | 1.1° | 0.5° |
| C19 | C14 | N12 | C15 | 177.1° | 179.8° |
| C19 | C14 | N12 | C13 | 161.3° | 0.2° |
| C19 | C14 | C15 | C16 | 0.3° | 0.2° |
| C19 | C14 | C15 | H7 | 179.6° | 179.8° |
| C18 | C17 | O21 | C16 | 175.7° | 180.0° |
| C18 | C17 | C16 | C15 | 5.2° | 0.0° |
| C18 | C17 | C16 | H8 | 174.8° | 180.0° |
| C17 | C18 | C19 | H9 | 178.9° | 179.9° |
| C18 | C17 | O21 | H10 | 180.0° | 90.0° |
| C04 | C03 | C13 | N12 | 0.7° | 0.0° |
| C04 | C03 | C02 | C01 | 1.5° | 0.0° |
| C04 | C03 | C02 | C13 | 179.2° | 180.0° |
| C04 | C03 | C02 | H2 | 178.5° | 180.0° |
| C04 | C03 | C13 | H5 | 120.5° | 119.3° |
| C04 | C03 | C13 | H6 | 119.1° | 119.2° |
| O21 | C17 | C16 | C15 | 178.9° | 179.9° |
| O21 | C17 | C16 | H8 | 1.1° | 0.0° |
| C17 | C16 | C15 | C14 | 4.2° | 0.0° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C17 | C16 | C15 | H7 | 175.8° | 179.9° |
| C16 | C17 | O21 | H10 | 4.3° | 90.0° |
| C14 | N12 | C13 | C03 | 178.3° | 180.0° |
| N12 | C14 | C15 | C16 | 176.9° | 180.0° |
| C14 | N12 | C13 | H5 | 58.5° | 60.8° |
| C14 | N12 | C13 | H6 | 61.9° | 60.8° |
| N12 | C14 | C15 | H7 | 3.1° | 0.0° |
| N12 | C14 | C19 | H9 | 0.6° | 0.2° |
| C15 | C14 | N12 | C13 | 21.6° | 180.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H8 | 175.8° | 180.0° |
| C15 | C14 | C19 | H9 | 177.7° | 179.9° |
| N12 | C13 | C03 | C02 | 178.6° | 180.0° |
| N12 | C13 | C03 | H5 | 119.8° | 119.2° |
| N12 | C13 | C03 | H6 | 119.8° | 119.2° |
| N12 | C13 | H5 | H6 | 120.5° | 121.5° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C13 | 179.3° | 180.0° |
| C02 | C01 | C06 | H3 | 179.1° | 180.0° |
| C03 | C02 | C01 | H1 | 178.7° | 180.0° |
| C02 | C03 | C13 | H5 | 58.8° | 60.8° |
| C02 | C03 | C13 | H6 | 61.6° | 60.8° |
| C13 | C03 | C02 | H2 | 0.7° | 0.0° |
| C03 | C13 | H5 | H6 | 120.6° | 121.6° |
| H1 | C01 | C02 | H2 | 1.3° | 0.0° |
| H1 | C01 | C06 | H3 | 0.9° | 0.2° |
| H7 | C15 | C16 | H8 | 4.2° | 0.0° |
