69Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C30 | sing | 1.40Å | 1.37Å | |
| F33 | C30 | sing | 1.40Å | 1.36Å | |
| F31 | C30 | sing | 1.40Å | 1.35Å | |
| C30 | C18 | sing | 1.51Å | 1.54Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| F28 | C26 | sing | 1.40Å | 1.31Å | |
| C16 | N08 | sing | 1.39Å | 1.45Å | |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| N08 | C04 | sing | 1.38Å | 1.40Å | |
| F29 | C26 | sing | 1.40Å | 1.35Å | |
| C26 | F27 | sing | 1.40Å | 1.31Å | |
| C26 | C13 | sing | 1.51Å | 1.51Å | |
| C04 | N03 | doub | 1.33Å | 1.35Å | Aromatic |
| C04 | N06 | sing | 1.33Å | 1.33Å | Aromatic |
| N03 | C01 | sing | 1.33Å | 1.31Å | Aromatic |
| N10 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N10 | C07 | sing | 1.33Å | 1.30Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| N06 | C05 | doub | 1.33Å | 1.32Å | Aromatic |
| C01 | C07 | sing | 1.48Å | 1.50Å | |
| C01 | N02 | doub | 1.33Å | 1.32Å | Aromatic |
| C07 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | N02 | sing | 1.33Å | 1.37Å | Aromatic |
| C05 | N09 | sing | 1.38Å | 1.40Å | |
| C11 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C12 | N09 | sing | 1.47Å | 1.46Å | |
| C12 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O25 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.45Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| N08 | H8 | sing | 0.97Å | 1.00Å | |
| N09 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| O25 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C30 | F33 | 111.8° | 109.5° |
| F32 | C30 | F31 | 108.8° | 109.5° |
| F32 | C30 | C18 | 111.1° | 109.5° |
| F33 | C30 | F31 | 103.0° | 109.5° |
| F33 | C30 | C18 | 110.4° | 109.5° |
| F31 | C30 | C18 | 111.5° | 109.4° |
| C30 | C18 | C17 | 120.8° | 119.6° |
| C30 | C18 | N19 | 120.3° | 119.6° |
| C17 | C18 | N19 | 118.8° | 120.8° |
| C18 | C17 | C16 | 120.4° | 119.1° |
| C18 | C17 | H2 | 119.8° | 120.4° |
| C18 | N19 | C20 | 122.5° | 121.9° |
| C17 | C16 | N08 | 115.8° | 120.9° |
| C17 | C16 | C21 | 118.6° | 118.2° |
| C16 | C17 | H2 | 119.8° | 120.5° |
| N19 | C20 | C21 | 122.9° | 120.9° |
| N19 | C20 | H3 | 118.5° | 119.6° |
| F28 | C26 | F29 | 110.1° | 109.4° |
| F28 | C26 | F27 | 102.7° | 109.5° |
| F28 | C26 | C13 | 116.3° | 109.5° |
| N08 | C16 | C21 | 125.4° | 120.9° |
| C16 | N08 | C04 | 132.1° | 120.0° |
| C16 | N08 | H8 | 114.0° | 120.0° |
| C16 | C21 | C20 | 116.6° | 119.1° |
| C16 | C21 | H4 | 121.7° | 120.4° |
| C21 | C20 | H3 | 118.5° | 119.6° |
| C20 | C21 | H4 | 121.7° | 120.5° |
| N08 | C04 | N03 | 119.5° | 120.0° |
| N08 | C04 | N06 | 119.0° | 119.9° |
| C04 | N08 | H8 | 114.0° | 120.0° |
| F29 | C26 | F27 | 105.1° | 109.5° |
| F29 | C26 | C13 | 110.4° | 109.5° |
| F27 | C26 | C13 | 111.5° | 109.5° |
| C26 | C13 | N10 | 114.4° | 119.6° |
| C26 | C13 | C15 | 119.0° | 119.5° |
| N03 | C04 | N06 | 121.2° | 120.0° |
| C04 | N03 | C01 | 120.6° | 120.0° |
| C04 | N06 | C05 | 116.9° | 120.0° |
| N03 | C01 | C07 | 121.4° | 120.0° |
| N03 | C01 | N02 | 119.7° | 120.0° |
| C13 | N10 | C07 | 116.2° | 121.6° |
| N10 | C13 | C15 | 126.4° | 120.9° |
| N10 | C07 | C01 | 115.0° | 119.7° |
| N10 | C07 | C11 | 124.7° | 120.5° |
| C13 | C15 | C14 | 117.5° | 119.3° |
| C13 | C15 | H1 | 121.3° | 120.3° |
| N06 | C05 | N02 | 122.3° | 120.0° |
| N06 | C05 | N09 | 119.5° | 120.0° |
| C07 | C01 | N02 | 118.8° | 120.0° |
| C01 | C07 | C11 | 120.3° | 119.7° |
| C01 | N02 | C05 | 119.0° | 120.0° |
| C07 | C11 | C14 | 119.2° | 119.1° |
| C07 | C11 | H10 | 120.4° | 120.4° |
| C15 | C14 | C11 | 115.7° | 118.5° |
| C14 | C15 | H1 | 121.3° | 120.3° |
| C15 | C14 | H13 | 122.1° | 120.8° |
| N02 | C05 | N09 | 118.0° | 120.0° |
| C05 | N09 | C12 | 120.1° | 119.9° |
| C05 | N09 | H9 | 106.8° | 120.0° |
| C14 | C11 | H10 | 120.4° | 120.5° |
| C11 | C14 | H13 | 122.1° | 120.7° |
| C24 | C22 | C12 | 106.5° | 109.5° |
| C24 | C22 | O25 | 114.1° | 109.5° |
| C24 | C22 | C23 | 111.5° | 109.5° |
| C22 | C24 | H5 | 109.5° | 109.5° |
| C22 | C24 | H6 | 109.5° | 109.5° |
| C22 | C24 | H7 | 109.5° | 109.5° |
| N09 | C12 | C22 | 110.2° | 109.4° |
| C12 | N09 | H9 | 106.8° | 120.0° |
| N09 | C12 | H11 | 109.3° | 109.5° |
| N09 | C12 | H12 | 109.3° | 109.5° |
| C12 | C22 | O25 | 104.9° | 109.5° |
| C12 | C22 | C23 | 111.1° | 109.5° |
| C22 | C12 | H11 | 109.3° | 109.5° |
| C22 | C12 | H12 | 109.3° | 109.5° |
| O25 | C22 | C23 | 108.6° | 109.4° |
| C22 | O25 | H17 | 109.5° | 114.0° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H7 | 109.5° | 109.4° |
| H6 | C24 | H7 | 109.4° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H16 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C30 | F33 | F31 | 116.6° | 120.0° |
| F32 | C30 | F33 | C18 | 124.3° | 120.0° |
| F32 | C30 | F31 | C18 | 122.9° | 120.0° |
| F32 | C30 | C18 | C17 | 8.9° | 150.0° |
| F32 | C30 | C18 | N19 | 172.3° | 30.0° |
| F33 | C30 | F31 | C18 | 118.3° | 120.0° |
| F33 | C30 | C18 | C17 | 133.6° | 30.0° |
| F33 | C30 | C18 | N19 | 47.7° | 150.0° |
| F31 | C30 | C18 | C17 | 112.6° | 90.0° |
| F31 | C30 | C18 | N19 | 66.1° | 90.0° |
| C30 | C18 | C17 | N19 | 178.7° | 180.0° |
| C30 | C18 | C17 | C16 | 179.0° | 180.0° |
| C30 | C18 | N19 | C20 | 179.9° | 180.0° |
| C30 | C18 | C17 | H2 | 1.0° | 0.2° |
| C18 | C17 | C16 | H2 | 180.0° | 179.8° |
| C17 | C18 | N19 | C20 | 1.4° | 0.0° |
| C18 | C17 | C16 | N08 | 179.7° | 179.7° |
| C18 | C17 | C16 | C21 | 3.2° | 0.3° |
| N19 | C18 | C17 | C16 | 2.3° | 0.0° |
| C18 | N19 | C20 | C21 | 1.4° | 0.4° |
| N19 | C18 | C17 | H2 | 177.7° | 179.8° |
| C18 | N19 | C20 | H3 | 178.6° | 179.7° |
| C17 | C16 | N08 | C21 | 176.2° | 180.0° |
| C17 | C16 | C21 | C20 | 3.1° | 0.6° |
| C17 | C16 | N08 | C04 | 155.0° | 147.4° |
| C17 | C16 | C21 | H4 | 177.0° | 179.5° |
| C17 | C16 | N08 | H8 | 25.0° | 32.7° |
| N19 | C20 | C21 | C16 | 2.3° | 0.6° |
| N19 | C20 | C21 | H3 | 180.0° | 179.4° |
| N19 | C20 | C21 | H4 | 177.8° | 179.5° |
| F28 | C26 | F29 | F27 | 109.9° | 120.0° |
| F28 | C26 | F29 | C13 | 129.8° | 120.0° |
| F28 | C26 | F27 | C13 | 125.3° | 120.0° |
| F28 | C26 | C13 | N10 | 39.4° | 30.3° |
| F28 | C26 | C13 | C15 | 145.0° | 150.0° |
| N08 | C16 | C21 | C20 | 179.2° | 179.4° |
| C16 | N08 | C04 | H8 | 180.0° | 179.9° |
| C16 | N08 | C04 | N03 | 160.3° | 174.5° |
| C16 | N08 | C04 | N06 | 13.0° | 5.6° |
| N08 | C16 | C17 | H2 | 0.3° | 0.1° |
| N08 | C16 | C21 | H4 | 0.8° | 0.5° |
| C16 | C21 | C20 | H4 | 180.0° | 179.9° |
| C21 | C16 | N08 | C04 | 21.2° | 32.6° |
| C21 | C16 | C17 | H2 | 176.8° | 180.0° |
| C16 | C21 | C20 | H3 | 177.8° | 180.0° |
| C21 | C16 | N08 | H8 | 158.7° | 147.3° |
| N08 | C04 | N03 | N06 | 173.2° | 179.9° |
| N08 | C04 | N03 | C01 | 177.6° | 179.9° |
| N08 | C04 | N06 | C05 | 176.6° | 179.7° |
| F29 | C26 | F27 | C13 | 119.6° | 120.0° |
| F29 | C26 | C13 | N10 | 165.7° | 150.3° |
| F29 | C26 | C13 | C15 | 18.7° | 30.0° |
| F27 | C26 | C13 | N10 | 77.9° | 89.7° |
| F27 | C26 | C13 | C15 | 97.7° | 90.0° |
| C26 | C13 | N10 | C15 | 175.2° | 179.7° |
| C26 | C13 | N10 | C07 | 176.2° | 179.7° |
| C26 | C13 | C15 | C14 | 178.9° | 180.0° |
| C26 | C13 | C15 | H1 | 1.1° | 0.1° |
| N03 | C04 | N06 | C05 | 3.3° | 0.2° |
| C04 | N03 | C01 | C07 | 176.9° | 180.0° |
| C04 | N03 | C01 | N02 | 0.4° | 0.3° |
| N03 | C04 | N08 | H8 | 19.7° | 5.4° |
| N06 | C04 | N03 | C01 | 4.4° | 0.1° |
| C04 | N06 | C05 | N02 | 1.4° | 0.2° |
| C04 | N06 | C05 | N09 | 176.9° | 179.8° |
| N06 | C04 | N08 | H8 | 167.0° | 174.5° |
| N03 | C01 | C07 | N10 | 17.3° | 179.5° |
| N03 | C01 | C07 | N02 | 177.3° | 179.7° |
| N03 | C01 | C07 | C11 | 164.5° | 0.3° |
| N03 | C01 | N02 | C05 | 4.2° | 0.3° |
| C13 | N10 | C07 | C01 | 178.5° | 179.7° |
| C13 | N10 | C07 | C11 | 0.3° | 0.5° |
| N10 | C13 | C15 | C14 | 3.9° | 0.3° |
| N10 | C13 | C15 | H1 | 176.1° | 179.7° |
| C07 | N10 | C13 | C15 | 1.0° | 0.0° |
| N10 | C07 | C01 | C11 | 178.2° | 179.2° |
| N10 | C07 | C01 | N02 | 160.0° | 0.8° |
| N10 | C07 | C11 | C14 | 2.8° | 0.8° |
| N10 | C07 | C11 | H10 | 177.2° | 179.2° |
| C13 | C15 | C14 | H1 | 180.0° | 180.0° |
| C13 | C15 | C14 | C11 | 5.9° | 0.0° |
| C13 | C15 | C14 | H13 | 174.2° | 180.0° |
| N06 | C05 | N02 | C01 | 5.2° | 0.0° |
| N06 | C05 | N02 | N09 | 175.6° | 180.0° |
| N06 | C05 | N09 | C12 | 22.3° | 0.0° |
| N06 | C05 | N09 | H9 | 143.8° | 180.0° |
| C07 | C01 | N02 | C05 | 178.5° | 180.0° |
| C01 | C07 | C11 | C14 | 179.1° | 180.0° |
| C01 | C07 | C11 | H10 | 0.8° | 0.1° |
| N02 | C01 | C07 | C11 | 18.2° | 180.0° |
| C01 | N02 | C05 | N09 | 179.2° | 180.0° |
| C07 | C11 | C14 | C15 | 5.5° | 0.5° |
| C07 | C11 | C14 | H10 | 180.0° | 180.0° |
| C07 | C11 | C14 | H13 | 174.6° | 179.5° |
| C15 | C14 | C11 | H13 | 180.0° | 180.0° |
| C15 | C14 | C11 | H10 | 174.5° | 179.5° |
| N02 | C05 | N09 | C12 | 162.0° | 180.0° |
| N02 | C05 | N09 | H9 | 40.5° | 0.0° |
| C05 | N09 | C12 | H9 | 121.5° | 180.0° |
| C05 | N09 | C12 | C22 | 109.2° | 180.0° |
| C05 | N09 | C12 | H11 | 130.6° | 60.0° |
| C05 | N09 | C12 | H12 | 10.9° | 60.0° |
| C11 | C14 | C15 | H1 | 174.1° | 180.0° |
| C24 | C22 | C12 | N09 | 68.8° | 55.0° |
| C24 | C22 | C12 | O25 | 121.2° | 120.0° |
| C24 | C22 | C12 | C23 | 121.6° | 120.0° |
| C24 | C22 | O25 | C23 | 125.0° | 120.0° |
| C22 | C24 | H5 | H6 | 120.0° | 120.0° |
| C22 | C24 | H5 | H7 | 120.0° | 120.0° |
| C22 | C24 | H6 | H7 | 120.0° | 120.0° |
| C24 | C22 | C12 | H11 | 171.1° | 65.0° |
| C24 | C22 | C12 | H12 | 51.3° | 175.0° |
| C24 | C22 | C23 | H14 | 180.0° | 180.0° |
| C24 | C22 | C23 | H15 | 60.0° | 60.0° |
| C24 | C22 | C23 | H16 | 60.0° | 60.0° |
| C24 | C22 | O25 | H17 | 180.0° | 180.0° |
| N09 | C12 | C22 | H11 | 120.1° | 120.0° |
| N09 | C12 | C22 | H12 | 120.1° | 120.0° |
| N09 | C12 | C22 | O25 | 170.0° | 65.1° |
| N09 | C12 | C22 | C23 | 52.8° | 175.0° |
| N09 | C12 | H11 | H12 | 119.6° | 120.0° |
| C12 | C22 | O25 | C23 | 118.9° | 120.0° |
| C12 | C22 | C24 | H5 | 180.0° | 180.0° |
| C12 | C22 | C24 | H6 | 60.0° | 60.0° |
| C12 | C22 | C24 | H7 | 60.0° | 60.0° |
| C22 | C12 | N09 | H9 | 12.2° | 0.1° |
| C22 | C12 | H11 | H12 | 119.7° | 120.0° |
| C12 | C22 | C23 | H14 | 61.4° | 60.0° |
| C12 | C22 | C23 | H15 | 178.6° | 60.0° |
| C12 | C22 | C23 | H16 | 58.6° | 179.9° |
| C12 | C22 | O25 | H17 | 63.9° | 59.9° |
| O25 | C22 | C24 | H5 | 64.8° | 60.0° |
| O25 | C22 | C24 | H6 | 55.2° | 180.0° |
| O25 | C22 | C24 | H7 | 175.1° | 60.0° |
| O25 | C22 | C12 | H11 | 49.9° | 175.0° |
| O25 | C22 | C12 | H12 | 69.9° | 55.0° |
| O25 | C22 | C23 | H14 | 53.5° | 60.0° |
| O25 | C22 | C23 | H15 | 66.5° | 180.0° |
| O25 | C22 | C23 | H16 | 173.5° | 60.0° |
| C23 | C22 | C24 | H5 | 58.7° | 60.0° |
| C23 | C22 | C24 | H6 | 178.6° | 60.0° |
| C23 | C22 | C24 | H7 | 61.4° | 179.9° |
| C23 | C22 | C12 | H11 | 67.3° | 55.0° |
| C23 | C22 | C12 | H12 | 172.9° | 65.0° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H16 | 120.0° | 120.0° |
| C22 | C23 | H15 | H16 | 120.0° | 120.0° |
| C23 | C22 | O25 | H17 | 55.0° | 60.0° |
| H1 | C15 | C14 | H13 | 5.8° | 0.0° |
| H3 | C20 | C21 | H4 | 2.2° | 0.1° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H9 | N09 | C12 | H11 | 107.9° | 120.0° |
| H9 | N09 | C12 | H12 | 132.4° | 120.0° |
| H10 | C11 | C14 | H13 | 5.4° | 0.5° |
| H14 | C23 | H15 | H16 | 120.0° | 120.0° |
