H1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O01 | sing | 1.43Å | 1.36Å | |
| O01 | C12 | sing | 1.36Å | 1.36Å | |
| O02 | C17 | sing | 1.43Å | 1.37Å | |
| O02 | C13 | sing | 1.36Å | 1.35Å | |
| C12 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | O03 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | doub | 1.39Å | 1.32Å | Aromatic |
| S01 | C19 | doub | 1.71Å | 1.74Å | |
| C10 | C15 | sing | 1.38Å | 1.33Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| O03 | C18 | sing | 1.43Å | 1.39Å | |
| C09 | N01 | sing | 1.47Å | 1.28Å | |
| C09 | C08 | sing | 1.54Å | 1.38Å | |
| C19 | N01 | sing | 1.35Å | 1.42Å | |
| C19 | N03 | sing | 1.35Å | 1.42Å | |
| N01 | N02 | sing | 1.39Å | 1.31Å | |
| C08 | C07 | sing | 1.51Å | 1.34Å | |
| N02 | C07 | doub | 1.29Å | 1.27Å | |
| C07 | C04 | sing | 1.47Å | 1.51Å | |
| C03 | C04 | doub | 1.40Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.35Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.35Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N03 | H20 | sing | 0.97Å | 1.00Å | |
| N03 | H21 | sing | 0.97Å | 1.00Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O01 | C12 | 113.1° | 117.0° |
| O01 | C16 | H9 | 109.5° | 109.5° |
| O01 | C16 | H10 | 109.5° | 109.5° |
| O01 | C16 | H11 | 109.5° | 109.5° |
| O01 | C12 | C13 | 115.4° | 120.0° |
| O01 | C12 | C11 | 124.1° | 120.1° |
| C17 | O02 | C13 | 106.7° | 117.0° |
| O02 | C17 | H12 | 109.5° | 109.5° |
| O02 | C17 | H13 | 109.5° | 109.4° |
| O02 | C17 | H14 | 109.5° | 109.5° |
| O02 | C13 | C12 | 121.6° | 120.1° |
| O02 | C13 | C14 | 117.6° | 120.1° |
| C13 | C12 | C11 | 120.5° | 119.9° |
| C12 | C13 | C14 | 120.8° | 119.8° |
| C12 | C11 | C10 | 118.6° | 120.1° |
| C12 | C11 | H7 | 120.7° | 119.9° |
| C13 | C14 | O03 | 123.7° | 120.0° |
| C13 | C14 | C15 | 117.6° | 119.9° |
| C11 | C10 | C15 | 117.2° | 120.2° |
| C11 | C10 | C09 | 137.5° | 119.9° |
| C10 | C11 | H7 | 120.7° | 119.9° |
| O03 | C14 | C15 | 118.6° | 120.0° |
| C14 | O03 | C18 | 115.2° | 117.0° |
| C14 | C15 | C10 | 125.2° | 120.1° |
| C14 | C15 | H8 | 117.4° | 120.0° |
| S01 | C19 | N01 | 114.1° | 119.9° |
| S01 | C19 | N03 | 102.0° | 120.0° |
| C15 | C10 | C09 | 105.2° | 119.9° |
| C10 | C15 | H8 | 117.4° | 120.0° |
| C10 | C09 | N01 | 142.3° | 110.6° |
| C10 | C09 | C08 | 114.1° | 110.6° |
| C10 | C09 | H19 | 91.9° | 110.7° |
| O03 | C18 | H15 | 109.5° | 109.4° |
| O03 | C18 | H16 | 109.5° | 109.5° |
| O03 | C18 | H17 | 109.5° | 109.5° |
| N01 | C09 | C08 | 103.3° | 103.6° |
| C09 | N01 | C19 | 134.4° | 125.6° |
| C09 | N01 | N02 | 109.7° | 108.9° |
| N01 | C09 | H19 | 92.2° | 110.6° |
| C09 | C08 | C07 | 110.9° | 104.0° |
| C09 | C08 | H6 | 109.1° | 110.6° |
| C09 | C08 | H18 | 109.1° | 110.6° |
| C08 | C09 | H19 | 92.1° | 110.5° |
| N01 | C19 | N03 | 106.8° | 120.0° |
| C19 | N01 | N02 | 115.8° | 125.5° |
| C19 | N03 | H20 | 120.0° | 120.0° |
| C19 | N03 | H21 | 120.0° | 120.0° |
| N01 | N02 | C07 | 113.3° | 114.1° |
| C08 | C07 | N02 | 102.8° | 109.5° |
| C08 | C07 | C04 | 123.4° | 125.3° |
| C07 | C08 | H6 | 109.1° | 110.5° |
| C07 | C08 | H18 | 109.1° | 110.5° |
| N02 | C07 | C04 | 133.6° | 125.2° |
| C07 | C04 | C03 | 121.9° | 120.2° |
| C07 | C04 | C05 | 118.3° | 120.1° |
| C04 | C03 | C02 | 119.4° | 119.9° |
| C03 | C04 | C05 | 119.5° | 119.7° |
| C04 | C03 | H3 | 120.3° | 120.1° |
| C03 | C02 | C01 | 120.1° | 120.1° |
| C03 | C02 | H2 | 120.0° | 120.0° |
| C02 | C03 | H3 | 120.3° | 120.0° |
| C04 | C05 | C06 | 120.8° | 119.8° |
| C04 | C05 | H4 | 119.6° | 120.1° |
| C02 | C01 | C06 | 121.0° | 120.3° |
| C02 | C01 | H1 | 119.5° | 119.8° |
| C01 | C02 | H2 | 119.9° | 119.9° |
| C05 | C06 | C01 | 119.1° | 120.2° |
| C06 | C05 | H4 | 119.6° | 120.1° |
| C05 | C06 | H5 | 120.4° | 120.0° |
| C06 | C01 | H1 | 119.5° | 119.9° |
| C01 | C06 | H5 | 120.4° | 119.9° |
| H6 | C08 | H18 | 109.5° | 110.5° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H9 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.4° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H20 | N03 | H21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O01 | C12 | C13 | 166.3° | 180.0° |
| C16 | O01 | C12 | C11 | 13.6° | 0.1° |
| O01 | C16 | H9 | H10 | 120.0° | 120.0° |
| O01 | C16 | H9 | H11 | 120.0° | 120.0° |
| O01 | C16 | H10 | H11 | 120.0° | 120.1° |
| O01 | C12 | C13 | O02 | 1.5° | 0.1° |
| O01 | C12 | C13 | C11 | 179.9° | 179.9° |
| O01 | C12 | C13 | C14 | 179.7° | 180.0° |
| O01 | C12 | C11 | C10 | 178.3° | 179.9° |
| O01 | C12 | C11 | H7 | 1.7° | 0.1° |
| C12 | O01 | C16 | H9 | 180.0° | 180.0° |
| C12 | O01 | C16 | H10 | 60.0° | 60.1° |
| C12 | O01 | C16 | H11 | 60.0° | 60.0° |
| C17 | O02 | C13 | C12 | 118.7° | 90.0° |
| C17 | O02 | C13 | C14 | 60.1° | 90.0° |
| O02 | C17 | H12 | H13 | 120.0° | 119.9° |
| O02 | C17 | H12 | H14 | 120.0° | 120.1° |
| O02 | C17 | H13 | H14 | 120.0° | 120.1° |
| O02 | C13 | C12 | C14 | 178.8° | 180.0° |
| O02 | C13 | C12 | C11 | 178.6° | 180.0° |
| O02 | C13 | C14 | O03 | 1.5° | 0.0° |
| O02 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | O02 | C17 | H12 | 180.0° | 60.0° |
| C13 | O02 | C17 | H13 | 60.0° | 60.0° |
| C13 | O02 | C17 | H14 | 60.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.6° | 0.0° |
| C12 | C13 | C14 | O03 | 179.7° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.1° |
| C13 | C12 | C11 | H7 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 1.3° | 0.0° |
| C12 | C11 | C10 | C09 | 177.8° | 179.7° |
| C13 | C14 | O03 | C15 | 178.3° | 180.0° |
| C13 | C14 | C15 | C10 | 1.7° | 0.0° |
| C13 | C14 | O03 | C18 | 167.9° | 180.0° |
| C13 | C14 | C15 | H8 | 178.3° | 179.8° |
| C11 | C10 | C15 | C14 | 0.3° | 0.0° |
| C11 | C10 | C15 | C09 | 177.5° | 179.7° |
| C11 | C10 | C09 | N01 | 57.6° | 38.3° |
| C11 | C10 | C09 | C08 | 131.6° | 75.9° |
| C11 | C10 | C15 | H8 | 179.7° | 179.7° |
| C11 | C10 | C09 | H19 | 38.5° | 161.2° |
| O03 | C14 | C15 | C10 | 179.9° | 180.0° |
| O03 | C14 | C15 | H8 | 0.1° | 0.3° |
| C14 | O03 | C18 | H15 | 180.0° | 60.0° |
| C14 | O03 | C18 | H16 | 60.0° | 59.9° |
| C14 | O03 | C18 | H17 | 60.0° | 180.0° |
| C14 | C15 | C10 | H8 | 180.0° | 179.7° |
| C14 | C15 | C10 | C09 | 177.2° | 179.7° |
| C15 | C14 | O03 | C18 | 10.4° | 0.0° |
| S01 | C19 | N01 | C09 | 12.1° | 0.0° |
| S01 | C19 | N01 | N03 | 111.9° | 180.0° |
| S01 | C19 | N01 | N02 | 171.5° | 179.7° |
| S01 | C19 | N03 | H20 | 0.0° | 180.0° |
| S01 | C19 | N03 | H21 | 180.0° | 0.0° |
| C15 | C10 | C09 | N01 | 125.7° | 141.4° |
| C15 | C10 | C09 | C08 | 45.1° | 104.4° |
| C15 | C10 | C11 | H7 | 178.6° | 180.0° |
| C15 | C10 | C09 | H19 | 138.2° | 18.5° |
| C10 | C09 | N01 | C08 | 171.4° | 118.6° |
| C10 | C09 | N01 | H19 | 96.0° | 123.0° |
| C10 | C09 | C08 | H19 | 93.0° | 123.0° |
| C10 | C09 | N01 | C19 | 10.0° | 61.4° |
| C10 | C09 | N01 | N02 | 173.5° | 118.3° |
| C10 | C09 | C08 | C07 | 177.0° | 118.5° |
| C10 | C09 | C08 | H6 | 56.8° | 122.9° |
| C09 | C10 | C11 | H7 | 2.2° | 0.2° |
| C09 | C10 | C15 | H8 | 2.8° | 0.0° |
| C10 | C09 | C08 | H18 | 62.8° | 0.1° |
| O03 | C18 | H15 | H16 | 120.0° | 120.0° |
| O03 | C18 | H15 | H17 | 120.0° | 120.0° |
| O03 | C18 | H16 | H17 | 120.0° | 120.0° |
| N01 | C09 | C08 | H19 | 92.8° | 118.4° |
| C09 | N01 | C19 | N02 | 176.3° | 179.6° |
| C09 | N01 | C19 | N03 | 124.0° | 180.0° |
| N01 | C09 | C08 | C07 | 2.8° | 0.1° |
| C09 | N01 | N02 | C07 | 0.8° | 0.5° |
| N01 | C09 | C08 | H6 | 117.4° | 118.6° |
| N01 | C09 | C08 | H18 | 123.0° | 118.7° |
| C08 | C09 | N01 | C19 | 178.6° | 180.0° |
| C08 | C09 | N01 | N02 | 2.1° | 0.3° |
| C09 | C08 | C07 | H6 | 120.2° | 118.7° |
| C09 | C08 | C07 | H18 | 120.2° | 118.7° |
| C09 | C08 | C07 | N02 | 2.3° | 0.2° |
| C09 | C08 | C07 | C04 | 178.2° | 179.9° |
| C09 | C08 | H6 | H18 | 119.3° | 122.8° |
| C19 | N01 | N02 | C07 | 178.0° | 179.8° |
| N01 | C19 | N03 | H20 | 120.0° | 0.1° |
| N01 | C19 | N03 | H21 | 60.1° | 180.0° |
| C19 | N01 | C09 | H19 | 86.0° | 61.6° |
| N03 | C19 | N01 | N02 | 59.6° | 0.4° |
| C19 | N03 | H20 | H21 | 180.0° | 179.9° |
| N01 | N02 | C07 | C08 | 0.9° | 0.5° |
| N01 | N02 | C07 | C04 | 176.2° | 179.8° |
| N02 | N01 | C09 | H19 | 90.5° | 118.7° |
| C08 | C07 | N02 | C04 | 175.3° | 179.7° |
| C08 | C07 | C04 | C03 | 43.7° | 180.0° |
| C08 | C07 | C04 | C05 | 130.1° | 0.0° |
| C07 | C08 | H6 | H18 | 119.4° | 122.6° |
| C07 | C08 | C09 | H19 | 90.0° | 118.5° |
| N02 | C07 | C04 | C03 | 141.8° | 0.4° |
| N02 | C07 | C04 | C05 | 44.4° | 179.7° |
| N02 | C07 | C08 | H6 | 117.9° | 118.9° |
| N02 | C07 | C08 | H18 | 122.5° | 118.5° |
| C07 | C04 | C03 | C05 | 173.7° | 179.9° |
| C07 | C04 | C03 | C02 | 178.2° | 180.0° |
| C07 | C04 | C05 | C06 | 177.5° | 180.0° |
| C07 | C04 | C03 | H3 | 1.9° | 0.1° |
| C07 | C04 | C05 | H4 | 2.4° | 0.1° |
| C04 | C07 | C08 | H6 | 58.0° | 61.4° |
| C04 | C07 | C08 | H18 | 61.6° | 61.2° |
| C04 | C03 | C02 | H3 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 3.2° | 0.0° |
| C03 | C04 | C05 | C06 | 3.6° | 0.1° |
| C04 | C03 | C02 | H2 | 176.8° | 179.9° |
| C03 | C04 | C05 | H4 | 176.4° | 180.0° |
| C02 | C03 | C04 | C05 | 4.4° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 1.0° | 0.0° |
| C03 | C02 | C01 | H1 | 179.0° | 179.7° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 1.4° | 0.1° |
| C05 | C04 | C03 | H3 | 175.6° | 180.0° |
| C04 | C05 | C06 | H5 | 178.6° | 179.8° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.8° |
| C01 | C02 | C03 | H3 | 176.9° | 180.0° |
| C02 | C01 | C06 | H5 | 179.9° | 179.7° |
| C05 | C06 | C01 | H5 | 180.0° | 179.7° |
| C05 | C06 | C01 | H1 | 179.9° | 179.7° |
| C06 | C01 | C02 | H2 | 179.0° | 179.9° |
| C01 | C06 | C05 | H4 | 178.6° | 180.0° |
| H1 | C01 | C02 | H2 | 1.1° | 0.3° |
| H1 | C01 | C06 | H5 | 0.1° | 0.0° |
| H2 | C02 | C03 | H3 | 3.2° | 0.0° |
| H4 | C05 | C06 | H5 | 1.4° | 0.3° |
| H6 | C08 | C09 | H19 | 149.8° | 0.1° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H15 | C18 | H16 | H17 | 120.0° | 120.0° |
| H18 | C08 | C09 | H19 | 30.2° | 122.9° |
