2JQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C20 | sing | 1.40Å | 1.33Å | |
| F22 | C20 | sing | 1.40Å | 1.34Å | |
| C20 | C14 | sing | 1.51Å | 1.51Å | |
| C20 | F21 | sing | 1.40Å | 1.34Å | |
| O18 | C17 | doub | 1.21Å | 1.26Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.26Å | |
| C17 | C16 | sing | 1.48Å | 1.51Å | |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C02 | sing | 1.48Å | 1.50Å | |
| C02 | N03 | sing | 1.35Å | 1.41Å | |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| N03 | C04 | sing | 1.39Å | 1.42Å | |
| C04 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C08 | sing | 1.32Å | 1.34Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| N03 | H3 | sing | 0.97Å | 1.00Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| O19 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C20 | F22 | 109.6° | 109.5° |
| F23 | C20 | C14 | 105.3° | 109.5° |
| F23 | C20 | F21 | 107.7° | 109.4° |
| F22 | C20 | C14 | 112.0° | 109.5° |
| F22 | C20 | F21 | 110.7° | 109.4° |
| C14 | C20 | F21 | 111.3° | 109.5° |
| C20 | C14 | C15 | 121.3° | 119.8° |
| C20 | C14 | C13 | 118.4° | 119.8° |
| O18 | C17 | O19 | 120.6° | 120.0° |
| O18 | C17 | C16 | 119.6° | 120.0° |
| C14 | C15 | C16 | 119.3° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.5° |
| C14 | C15 | H2 | 120.4° | 120.1° |
| C15 | C16 | C17 | 120.5° | 120.2° |
| C15 | C16 | C11 | 119.7° | 119.6° |
| C16 | C15 | H2 | 120.3° | 120.0° |
| O19 | C17 | C16 | 119.7° | 120.0° |
| C17 | O19 | H11 | 109.5° | 117.0° |
| C17 | C16 | C11 | 119.8° | 120.2° |
| C14 | C13 | C12 | 120.7° | 120.4° |
| C14 | C13 | H1 | 119.6° | 119.8° |
| C16 | C11 | C12 | 120.8° | 119.6° |
| C16 | C11 | C02 | 121.7° | 120.2° |
| C13 | C12 | C11 | 119.3° | 120.0° |
| C12 | C13 | H1 | 119.7° | 119.8° |
| C13 | C12 | H10 | 120.4° | 120.0° |
| C12 | C11 | C02 | 117.5° | 120.2° |
| C11 | C12 | H10 | 120.3° | 120.0° |
| C11 | C02 | N03 | 117.3° | 120.0° |
| C11 | C02 | O01 | 119.2° | 120.0° |
| N03 | C02 | O01 | 123.5° | 120.0° |
| C02 | N03 | C04 | 125.3° | 120.0° |
| C02 | N03 | H3 | 117.3° | 120.0° |
| N03 | C04 | N10 | 117.7° | 119.7° |
| N03 | C04 | C05 | 121.9° | 119.7° |
| C04 | N03 | H3 | 117.3° | 120.0° |
| N10 | C04 | C05 | 120.4° | 120.7° |
| C04 | N10 | C08 | 120.5° | 121.6° |
| C04 | C05 | C06 | 121.1° | 119.1° |
| C04 | C05 | H4 | 119.5° | 120.5° |
| N10 | C08 | C09 | 119.9° | 119.6° |
| N10 | C08 | C07 | 120.4° | 120.9° |
| C05 | C06 | C07 | 116.7° | 118.5° |
| C06 | C05 | H4 | 119.5° | 120.4° |
| C05 | C06 | H5 | 121.7° | 120.8° |
| C09 | C08 | C07 | 119.7° | 119.5° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| C08 | C09 | H8 | 109.4° | 109.4° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C08 | C07 | C06 | 121.0° | 119.3° |
| C08 | C07 | H6 | 119.5° | 120.4° |
| C07 | C06 | H5 | 121.7° | 120.7° |
| C06 | C07 | H6 | 119.5° | 120.3° |
| H7 | C09 | H8 | 109.4° | 109.5° |
| H7 | C09 | H9 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C20 | F22 | C14 | 116.4° | 120.1° |
| F23 | C20 | F22 | F21 | 118.7° | 119.9° |
| F23 | C20 | C14 | F21 | 116.5° | 120.0° |
| F23 | C20 | C14 | C15 | 89.6° | 30.0° |
| F23 | C20 | C14 | C13 | 88.4° | 150.1° |
| F22 | C20 | C14 | F21 | 124.5° | 120.0° |
| F22 | C20 | C14 | C15 | 29.5° | 150.0° |
| F22 | C20 | C14 | C13 | 152.6° | 30.0° |
| C20 | C14 | C15 | C13 | 177.9° | 179.9° |
| C20 | C14 | C15 | C16 | 179.3° | 180.0° |
| C20 | C14 | C13 | C12 | 179.2° | 180.0° |
| C20 | C14 | C13 | H1 | 0.8° | 0.3° |
| C20 | C14 | C15 | H2 | 0.7° | 0.0° |
| F21 | C20 | C14 | C15 | 154.0° | 90.0° |
| F21 | C20 | C14 | C13 | 28.1° | 90.0° |
| O18 | C17 | C16 | C15 | 38.9° | 176.4° |
| O18 | C17 | O19 | C16 | 178.8° | 179.9° |
| O18 | C17 | C16 | C11 | 142.1° | 3.3° |
| O18 | C17 | O19 | H11 | 0.0° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | C11 | 1.1° | 0.3° |
| C15 | C14 | C13 | C12 | 1.2° | 0.1° |
| C15 | C14 | C13 | H1 | 178.8° | 179.7° |
| C15 | C16 | C17 | O19 | 139.9° | 3.5° |
| C15 | C16 | C17 | C11 | 179.0° | 179.7° |
| C16 | C15 | C14 | C13 | 1.4° | 0.1° |
| C15 | C16 | C11 | C12 | 0.6° | 0.6° |
| C15 | C16 | C11 | C02 | 179.9° | 180.0° |
| O19 | C17 | C16 | C11 | 39.1° | 176.8° |
| C17 | C16 | C11 | C12 | 179.6° | 179.7° |
| C17 | C16 | C11 | C02 | 1.1° | 0.3° |
| C17 | C16 | C15 | H2 | 0.1° | 0.0° |
| C16 | C17 | O19 | H11 | 178.9° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.7° | 0.3° |
| C13 | C14 | C15 | H2 | 178.6° | 179.9° |
| C14 | C13 | C12 | H10 | 179.2° | 179.8° |
| C16 | C11 | C12 | C13 | 0.4° | 0.6° |
| C16 | C11 | C12 | C02 | 179.3° | 179.3° |
| C16 | C11 | C02 | N03 | 117.4° | 122.8° |
| C16 | C11 | C02 | O01 | 64.9° | 57.3° |
| C11 | C16 | C15 | H2 | 179.0° | 179.7° |
| C16 | C11 | C12 | H10 | 179.5° | 179.5° |
| C13 | C12 | C11 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | C02 | 179.7° | 180.0° |
| C12 | C11 | C02 | N03 | 63.3° | 56.6° |
| C12 | C11 | C02 | O01 | 114.4° | 123.4° |
| C11 | C12 | C13 | H1 | 179.3° | 180.0° |
| C11 | C02 | N03 | O01 | 177.6° | 180.0° |
| C11 | C02 | N03 | C04 | 179.2° | 175.1° |
| C11 | C02 | N03 | H3 | 0.8° | 4.9° |
| C02 | C11 | C12 | H10 | 0.2° | 0.1° |
| C02 | N03 | C04 | H3 | 180.0° | 180.0° |
| C02 | N03 | C04 | N10 | 167.4° | 5.7° |
| C02 | N03 | C04 | C05 | 13.1° | 174.5° |
| O01 | C02 | N03 | C04 | 1.6° | 4.9° |
| O01 | C02 | N03 | H3 | 178.4° | 175.1° |
| N03 | C04 | N10 | C05 | 179.6° | 179.8° |
| N03 | C04 | N10 | C08 | 179.4° | 179.8° |
| N03 | C04 | C05 | C06 | 179.1° | 180.0° |
| N03 | C04 | C05 | H4 | 0.9° | 0.1° |
| N10 | C04 | C05 | C06 | 0.4° | 0.2° |
| C04 | N10 | C08 | C09 | 179.9° | 179.8° |
| C04 | N10 | C08 | C07 | 0.2° | 0.5° |
| N10 | C04 | N03 | H3 | 12.7° | 174.3° |
| N10 | C04 | C05 | H4 | 179.6° | 179.8° |
| C05 | C04 | N10 | C08 | 0.2° | 0.5° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | C04 | N03 | H3 | 166.9° | 5.5° |
| C04 | C05 | C06 | H5 | 179.7° | 180.0° |
| N10 | C08 | C09 | C07 | 179.9° | 179.8° |
| N10 | C08 | C07 | C06 | 0.3° | 0.3° |
| N10 | C08 | C07 | H6 | 179.6° | 179.8° |
| N10 | C08 | C09 | H7 | 0.0° | 89.7° |
| N10 | C08 | C09 | H8 | 120.0° | 30.2° |
| N10 | C08 | C09 | H9 | 120.0° | 150.2° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C05 | C06 | C07 | H6 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C09 | C08 | C07 | H6 | 0.3° | 0.0° |
| C08 | C09 | H7 | H8 | 120.0° | 119.9° |
| C08 | C09 | H7 | H9 | 120.0° | 120.1° |
| C08 | C09 | H8 | H9 | 120.0° | 120.0° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C08 | C07 | C06 | H5 | 179.9° | 180.0° |
| C07 | C08 | C09 | H7 | 180.0° | 90.0° |
| C07 | C08 | C09 | H8 | 60.1° | 150.0° |
| C07 | C08 | C09 | H9 | 59.9° | 30.0° |
| C07 | C06 | C05 | H4 | 179.7° | 180.0° |
| H1 | C13 | C12 | H10 | 0.7° | 0.1° |
| H4 | C05 | C06 | H5 | 0.3° | 0.0° |
| H5 | C06 | C07 | H6 | 0.1° | 0.0° |
| H7 | C09 | H8 | H9 | 120.0° | 120.0° |
