7FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | sing | 1.43Å | 1.38Å | |
| C12 | C11 | sing | 1.54Å | 1.49Å | |
| C12 | C14 | sing | 1.52Å | 1.52Å | |
| C11 | C10 | sing | 1.54Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.41Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C11 | 112.8° | 110.3° |
| O13 | C12 | C14 | 108.4° | 110.3° |
| O13 | C12 | H11 | 111.1° | 110.4° |
| C12 | O13 | H12 | 109.5° | 114.0° |
| C11 | C12 | C14 | 105.8° | 105.1° |
| C12 | C11 | C10 | 105.0° | 102.4° |
| C12 | C11 | H9 | 110.6° | 110.8° |
| C12 | C11 | H10 | 110.6° | 111.0° |
| C11 | C12 | H11 | 109.4° | 110.3° |
| C12 | C14 | C15 | 127.4° | 130.2° |
| C12 | C14 | C09 | 110.7° | 109.7° |
| C14 | C12 | H11 | 109.1° | 110.3° |
| C11 | C10 | C09 | 106.9° | 105.2° |
| C11 | C10 | H7 | 110.1° | 110.3° |
| C11 | C10 | H8 | 110.1° | 110.4° |
| C10 | C11 | H9 | 110.6° | 110.8° |
| C10 | C11 | H10 | 110.6° | 110.8° |
| C15 | C14 | C09 | 121.9° | 120.1° |
| C14 | C15 | C16 | 118.4° | 120.3° |
| C14 | C15 | H13 | 120.8° | 119.8° |
| C14 | C09 | C10 | 108.0° | 109.8° |
| C14 | C09 | C08 | 120.1° | 119.9° |
| C15 | C16 | C07 | 121.0° | 119.8° |
| C16 | C15 | H13 | 120.8° | 119.9° |
| C15 | C16 | H14 | 119.5° | 120.1° |
| C10 | C09 | C08 | 132.0° | 130.3° |
| C09 | C10 | H7 | 110.1° | 110.3° |
| C09 | C10 | H8 | 110.1° | 110.3° |
| C09 | C08 | C07 | 117.4° | 120.1° |
| C09 | C08 | H6 | 121.3° | 120.0° |
| C16 | C07 | C08 | 121.3° | 119.7° |
| C16 | C07 | C06 | 113.4° | 120.1° |
| C07 | C16 | H14 | 119.5° | 120.1° |
| C08 | C07 | C06 | 125.3° | 120.2° |
| C07 | C08 | H6 | 121.3° | 119.9° |
| C07 | C06 | C05 | 115.4° | 120.1° |
| C07 | C06 | C17 | 124.4° | 120.0° |
| C06 | C05 | C03 | 120.8° | 119.9° |
| C05 | C06 | C17 | 120.3° | 119.9° |
| C06 | C05 | H5 | 119.6° | 120.0° |
| C05 | C03 | C04 | 120.4° | 120.0° |
| C05 | C03 | C02 | 119.5° | 120.1° |
| C03 | C05 | H5 | 119.6° | 120.1° |
| C06 | C17 | C18 | 118.7° | 119.9° |
| C06 | C17 | H15 | 120.6° | 120.1° |
| C04 | C03 | C02 | 120.1° | 119.9° |
| C03 | C04 | H2 | 109.5° | 109.4° |
| C03 | C04 | H3 | 109.4° | 109.4° |
| C03 | C04 | H4 | 109.5° | 109.5° |
| C03 | C02 | C18 | 119.8° | 120.1° |
| C03 | C02 | O01 | 118.2° | 119.9° |
| C17 | C18 | C02 | 120.9° | 120.1° |
| C17 | C18 | C19 | 119.7° | 119.9° |
| C18 | C17 | H15 | 120.6° | 120.0° |
| C18 | C02 | O01 | 122.0° | 119.9° |
| C02 | C18 | C19 | 119.4° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.4° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.4° |
| H2 | C04 | H4 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.5° | 110.2° |
| H9 | C11 | H10 | 109.5° | 110.7° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | C14 | 118.4° | 118.9° |
| O13 | C12 | C11 | H11 | 124.2° | 122.2° |
| O13 | C12 | C14 | H11 | 121.1° | 122.2° |
| O13 | C12 | C11 | C10 | 136.4° | 145.3° |
| O13 | C12 | C14 | C15 | 47.0° | 43.9° |
| O13 | C12 | C14 | C09 | 133.1° | 136.1° |
| O13 | C12 | C11 | H9 | 104.3° | 27.0° |
| O13 | C12 | C11 | H10 | 17.1° | 96.4° |
| C11 | C12 | C14 | H11 | 117.6° | 118.9° |
| C12 | C11 | C10 | H9 | 119.3° | 118.2° |
| C12 | C11 | C10 | H10 | 119.3° | 118.4° |
| C11 | C12 | C14 | C15 | 168.2° | 162.7° |
| C11 | C12 | C14 | C09 | 11.8° | 17.2° |
| C12 | C11 | C10 | C09 | 18.2° | 26.4° |
| C12 | C11 | C10 | H7 | 101.4° | 145.4° |
| C12 | C11 | C10 | H8 | 137.8° | 92.5° |
| C12 | C11 | H9 | H10 | 122.1° | 123.6° |
| C11 | C12 | O13 | H12 | 180.0° | 179.9° |
| C14 | C12 | C11 | C10 | 18.0° | 26.4° |
| C12 | C14 | C15 | C09 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 179.8° | 179.8° |
| C12 | C14 | C09 | C10 | 0.2° | 0.0° |
| C12 | C14 | C09 | C08 | 179.8° | 180.0° |
| C14 | C12 | C11 | H9 | 137.3° | 91.8° |
| C14 | C12 | C11 | H10 | 101.2° | 144.8° |
| C14 | C12 | O13 | H12 | 63.2° | 64.2° |
| C12 | C14 | C15 | H13 | 0.2° | 0.1° |
| C11 | C10 | C09 | C14 | 11.4° | 17.2° |
| C11 | C10 | C09 | H7 | 119.6° | 119.0° |
| C11 | C10 | C09 | H8 | 119.6° | 119.0° |
| C11 | C10 | C09 | C08 | 168.6° | 162.8° |
| C11 | C10 | H7 | H8 | 121.2° | 122.2° |
| C10 | C11 | H9 | H10 | 122.1° | 123.4° |
| C10 | C11 | C12 | H11 | 99.4° | 92.5° |
| C14 | C15 | C16 | H13 | 180.0° | 179.7° |
| C15 | C14 | C09 | C10 | 179.8° | 180.0° |
| C15 | C14 | C09 | C08 | 0.2° | 0.0° |
| C14 | C15 | C16 | C07 | 0.2° | 0.5° |
| C15 | C14 | C12 | H11 | 74.1° | 78.3° |
| C14 | C15 | C16 | H14 | 179.8° | 179.9° |
| C09 | C14 | C15 | C16 | 0.1° | 0.3° |
| C14 | C09 | C10 | C08 | 180.0° | 180.0° |
| C14 | C09 | C08 | C07 | 0.2° | 0.0° |
| C14 | C09 | C08 | H6 | 179.8° | 180.0° |
| C14 | C09 | C10 | H7 | 108.2° | 136.2° |
| C14 | C09 | C10 | H8 | 131.0° | 101.8° |
| C09 | C14 | C12 | H11 | 105.9° | 101.7° |
| C09 | C14 | C15 | H13 | 179.9° | 180.0° |
| C15 | C16 | C07 | H14 | 180.0° | 179.6° |
| C15 | C16 | C07 | C08 | 0.3° | 0.5° |
| C15 | C16 | C07 | C06 | 179.9° | 179.8° |
| C10 | C09 | C08 | C07 | 179.7° | 180.0° |
| C10 | C09 | C08 | H6 | 0.2° | 0.0° |
| C09 | C10 | H7 | H8 | 121.2° | 122.1° |
| C09 | C10 | C11 | H9 | 137.5° | 91.8° |
| C09 | C10 | C11 | H10 | 101.1° | 144.9° |
| C09 | C08 | C07 | C16 | 0.3° | 0.3° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 179.9° | 180.0° |
| C08 | C09 | C10 | H7 | 71.8° | 43.9° |
| C08 | C09 | C10 | H8 | 49.0° | 78.2° |
| C16 | C07 | C08 | C06 | 179.9° | 179.8° |
| C16 | C07 | C06 | C05 | 3.1° | 0.2° |
| C16 | C07 | C06 | C17 | 176.4° | 179.8° |
| C16 | C07 | C08 | H6 | 179.7° | 179.8° |
| C07 | C16 | C15 | H13 | 179.8° | 179.8° |
| C08 | C07 | C06 | C05 | 176.8° | 180.0° |
| C08 | C07 | C06 | C17 | 3.7° | 0.0° |
| C08 | C07 | C16 | H14 | 179.7° | 179.9° |
| C07 | C06 | C05 | C17 | 179.5° | 180.0° |
| C07 | C06 | C05 | C03 | 179.8° | 180.0° |
| C07 | C06 | C17 | C18 | 179.9° | 180.0° |
| C07 | C06 | C05 | H5 | 0.2° | 0.1° |
| C06 | C07 | C08 | H6 | 0.1° | 0.0° |
| C06 | C07 | C16 | H14 | 0.1° | 0.1° |
| C07 | C06 | C17 | H15 | 0.1° | 0.0° |
| C06 | C05 | C03 | H5 | 180.0° | 179.9° |
| C06 | C05 | C03 | C04 | 180.0° | 180.0° |
| C06 | C05 | C03 | C02 | 0.0° | 0.1° |
| C05 | C06 | C17 | C18 | 0.5° | 0.0° |
| C05 | C06 | C17 | H15 | 179.6° | 180.0° |
| C03 | C05 | C06 | C17 | 0.3° | 0.0° |
| C05 | C03 | C04 | C02 | 180.0° | 179.9° |
| C05 | C03 | C02 | C18 | 0.2° | 0.1° |
| C05 | C03 | C02 | O01 | 179.9° | 179.7° |
| C05 | C03 | C04 | H2 | 90.0° | 89.9° |
| C05 | C03 | C04 | H3 | 150.0° | 30.0° |
| C05 | C03 | C04 | H4 | 30.0° | 150.1° |
| C06 | C17 | C18 | H15 | 180.0° | 180.0° |
| C06 | C17 | C18 | C02 | 0.3° | 0.0° |
| C06 | C17 | C18 | C19 | 179.5° | 179.7° |
| C17 | C06 | C05 | H5 | 179.7° | 179.9° |
| C04 | C03 | C02 | C18 | 179.8° | 180.0° |
| C04 | C03 | C02 | O01 | 0.1° | 0.3° |
| C03 | C04 | H2 | H3 | 120.0° | 119.9° |
| C03 | C04 | H2 | H4 | 120.0° | 120.0° |
| C03 | C04 | H3 | H4 | 120.0° | 120.0° |
| C04 | C03 | C05 | H5 | 0.0° | 0.1° |
| C03 | C02 | C18 | C17 | 0.0° | 0.0° |
| C03 | C02 | C18 | O01 | 180.0° | 179.8° |
| C03 | C02 | C18 | C19 | 179.8° | 179.8° |
| C03 | C02 | O01 | H1 | 180.0° | 89.8° |
| C02 | C03 | C04 | H2 | 90.0° | 90.0° |
| C02 | C03 | C04 | H3 | 30.0° | 150.1° |
| C02 | C03 | C04 | H4 | 150.0° | 30.0° |
| C02 | C03 | C05 | H5 | 180.0° | 180.0° |
| C17 | C18 | C02 | C19 | 179.8° | 179.8° |
| C17 | C18 | C02 | O01 | 180.0° | 179.7° |
| C17 | C18 | C19 | H16 | 90.1° | 90.2° |
| C17 | C18 | C19 | H17 | 149.9° | 29.7° |
| C17 | C18 | C19 | H18 | 29.9° | 149.7° |
| C18 | C02 | O01 | H1 | 0.1° | 90.0° |
| C02 | C18 | C17 | H15 | 179.7° | 180.0° |
| C02 | C18 | C19 | H16 | 90.1° | 90.0° |
| C02 | C18 | C19 | H17 | 29.9° | 150.0° |
| C02 | C18 | C19 | H18 | 149.9° | 30.0° |
| O01 | C02 | C18 | C19 | 0.2° | 0.0° |
| C19 | C18 | C17 | H15 | 0.5° | 0.3° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 120.1° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| H2 | C04 | H3 | H4 | 120.0° | 120.1° |
| H7 | C10 | C11 | H9 | 17.9° | 27.1° |
| H7 | C10 | C11 | H10 | 139.3° | 96.2° |
| H8 | C10 | C11 | H9 | 102.9° | 149.2° |
| H8 | C10 | C11 | H10 | 18.5° | 25.9° |
| H9 | C11 | C12 | H11 | 19.9° | 149.3° |
| H10 | C11 | C12 | H11 | 141.3° | 25.8° |
| H11 | C12 | O13 | H12 | 56.7° | 57.9° |
| H13 | C15 | C16 | H14 | 0.2° | 0.2° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
