9L0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C22 | sing | 1.35Å | 1.35Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | N12 | sing | 1.46Å | 1.47Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.37Å | 1.34Å | |
| C19 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O18 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C25 | N24 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.35Å | Aromatic |
| N30 | C29 | trip | 1.14Å | 1.13Å | |
| C11 | N24 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | N10 | doub | 1.31Å | 1.28Å | Aromatic |
| O18 | C17 | sing | 1.44Å | 1.47Å | |
| C29 | C26 | sing | 1.43Å | 1.41Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| N24 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | N27 | sing | 1.35Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.33Å | 1.36Å | Aromatic |
| C28 | N27 | doub | 1.31Å | 1.30Å | Aromatic |
| C28 | C08 | sing | 1.47Å | 1.43Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.45Å | |
| C07 | N02 | sing | 1.36Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| N02 | N03 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| N03 | C04 | doub | 1.31Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N12 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C22 | C21 | 117.5° | 120.2° |
| F23 | C22 | C14 | 118.6° | 120.1° |
| C22 | C21 | C20 | 119.6° | 120.3° |
| C21 | C22 | C14 | 123.9° | 119.7° |
| C22 | C21 | H8 | 120.2° | 119.9° |
| C21 | C20 | C19 | 117.0° | 120.3° |
| C21 | C20 | H7 | 121.5° | 119.9° |
| C20 | C21 | H8 | 120.2° | 119.8° |
| C22 | C14 | C13 | 121.6° | 120.0° |
| C22 | C14 | C15 | 115.9° | 119.9° |
| C14 | C13 | N12 | 113.3° | 109.5° |
| C13 | C14 | C15 | 122.5° | 120.1° |
| C14 | C13 | H1 | 108.5° | 109.4° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | N12 | C11 | 118.1° | 120.0° |
| N12 | C13 | H1 | 108.5° | 109.5° |
| N12 | C13 | H2 | 108.5° | 109.5° |
| C13 | N12 | H18 | 107.3° | 120.0° |
| C20 | C19 | C15 | 122.7° | 118.9° |
| C20 | C19 | O18 | 124.2° | 129.9° |
| C19 | C20 | H7 | 121.5° | 119.9° |
| C14 | C15 | C19 | 120.9° | 120.8° |
| C14 | C15 | C16 | 129.7° | 132.1° |
| N12 | C11 | N24 | 118.1° | 119.0° |
| N12 | C11 | N10 | 121.5° | 119.0° |
| C11 | N12 | H18 | 107.3° | 120.0° |
| C15 | C19 | O18 | 113.1° | 111.2° |
| C19 | C15 | C16 | 109.3° | 107.1° |
| C19 | O18 | C17 | 107.8° | 109.2° |
| C15 | C16 | C17 | 101.4° | 101.9° |
| C15 | C16 | H3 | 111.5° | 110.9° |
| C15 | C16 | H4 | 111.5° | 111.0° |
| N24 | C25 | C26 | 104.5° | 107.1° |
| C25 | N24 | C11 | 131.4° | 133.4° |
| C25 | N24 | C28 | 107.5° | 107.1° |
| N24 | C25 | H17 | 127.7° | 126.5° |
| C25 | C26 | C29 | 125.9° | 126.0° |
| C25 | C26 | N27 | 111.8° | 108.1° |
| C26 | C25 | H17 | 127.7° | 126.4° |
| N30 | C29 | C26 | 179.9° | 180.0° |
| N24 | C11 | N10 | 120.4° | 121.9° |
| C11 | N24 | C28 | 121.2° | 119.5° |
| C11 | N10 | C09 | 120.8° | 122.8° |
| O18 | C17 | C16 | 106.3° | 102.9° |
| O18 | C17 | H5 | 110.3° | 110.7° |
| O18 | C17 | H6 | 110.3° | 110.9° |
| C29 | C26 | N27 | 122.3° | 125.9° |
| C17 | C16 | H3 | 111.4° | 110.9° |
| C17 | C16 | H4 | 111.4° | 111.0° |
| C16 | C17 | H5 | 110.2° | 110.7° |
| C16 | C17 | H6 | 110.3° | 110.8° |
| N24 | C28 | N27 | 110.0° | 108.6° |
| N24 | C28 | C08 | 117.4° | 117.9° |
| C26 | N27 | C28 | 106.2° | 109.1° |
| N10 | C09 | C08 | 123.6° | 120.1° |
| N10 | C09 | H16 | 118.2° | 119.9° |
| N27 | C28 | C08 | 132.5° | 133.5° |
| C28 | C08 | C09 | 116.5° | 117.7° |
| C28 | C08 | C07 | 121.7° | 121.1° |
| C09 | C08 | C07 | 121.8° | 121.1° |
| C08 | C09 | H16 | 118.2° | 120.0° |
| C08 | C07 | N02 | 124.1° | 126.5° |
| C08 | C07 | C06 | 128.2° | 126.4° |
| N02 | C07 | C06 | 107.7° | 107.1° |
| C07 | N02 | C01 | 132.1° | 126.1° |
| C07 | N02 | N03 | 109.9° | 107.8° |
| C07 | C06 | C04 | 105.3° | 107.7° |
| C07 | C06 | H15 | 127.4° | 126.2° |
| C01 | N02 | N03 | 118.0° | 126.1° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | C01 | H11 | 109.5° | 109.5° |
| N02 | N03 | C04 | 106.0° | 108.8° |
| C06 | C04 | N03 | 111.1° | 108.7° |
| C06 | C04 | C05 | 126.7° | 125.7° |
| C04 | C06 | H15 | 127.3° | 126.1° |
| N03 | C04 | C05 | 122.2° | 125.6° |
| C04 | C05 | H12 | 109.5° | 109.5° |
| C04 | C05 | H13 | 109.5° | 109.5° |
| C04 | C05 | H14 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.5° | 110.8° |
| H5 | C17 | H6 | 109.5° | 110.6° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H12 | C05 | H14 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C22 | C21 | C14 | 179.0° | 179.9° |
| F23 | C22 | C21 | C20 | 178.9° | 179.9° |
| F23 | C22 | C14 | C13 | 2.5° | 0.1° |
| F23 | C22 | C14 | C15 | 179.5° | 179.9° |
| F23 | C22 | C21 | H8 | 1.1° | 0.1° |
| C22 | C21 | C20 | H8 | 180.0° | 180.0° |
| C21 | C22 | C14 | C13 | 178.5° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C22 | C14 | C15 | 0.5° | 0.0° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C20 | C21 | C22 | C14 | 0.1° | 0.2° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C21 | C20 | C19 | C15 | 0.8° | 0.3° |
| C21 | C20 | C19 | O18 | 179.1° | 179.4° |
| C22 | C14 | C13 | C15 | 177.9° | 180.0° |
| C22 | C14 | C13 | N12 | 62.1° | 90.0° |
| C22 | C14 | C15 | C19 | 1.2° | 0.3° |
| C22 | C14 | C15 | C16 | 179.6° | 179.1° |
| C22 | C14 | C13 | H1 | 177.4° | 150.0° |
| C22 | C14 | C13 | H2 | 58.5° | 30.1° |
| C14 | C22 | C21 | H8 | 179.9° | 179.8° |
| C14 | C13 | N12 | H1 | 120.6° | 120.0° |
| C14 | C13 | N12 | H2 | 120.6° | 120.0° |
| C14 | C13 | N12 | C11 | 81.8° | 180.0° |
| C13 | C14 | C15 | C19 | 179.2° | 179.7° |
| C13 | C14 | C15 | C16 | 2.4° | 1.0° |
| C14 | C13 | H1 | H2 | 118.3° | 119.9° |
| C14 | C13 | N12 | H18 | 156.9° | 0.0° |
| N12 | C13 | C14 | C15 | 120.0° | 90.0° |
| C13 | N12 | C11 | H18 | 121.2° | 179.9° |
| C13 | N12 | C11 | N24 | 178.7° | 180.0° |
| C13 | N12 | C11 | N10 | 2.5° | 0.3° |
| N12 | C13 | H1 | H2 | 118.3° | 120.1° |
| C20 | C19 | C15 | C14 | 1.5° | 0.5° |
| C20 | C19 | C15 | O18 | 178.4° | 179.8° |
| C20 | C19 | C15 | C16 | 179.9° | 179.1° |
| C20 | C19 | O18 | C17 | 171.2° | 161.2° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C14 | C15 | C19 | C16 | 178.7° | 179.5° |
| C14 | C15 | C19 | O18 | 179.9° | 179.3° |
| C14 | C15 | C16 | C17 | 171.1° | 164.1° |
| C15 | C14 | C13 | H1 | 0.5° | 30.0° |
| C15 | C14 | C13 | H2 | 119.4° | 150.0° |
| C14 | C15 | C16 | H3 | 70.2° | 77.8° |
| C14 | C15 | C16 | H4 | 52.4° | 45.9° |
| N12 | C11 | N24 | C25 | 0.8° | 0.3° |
| N12 | C11 | N24 | N10 | 178.9° | 179.6° |
| N12 | C11 | N24 | C28 | 179.9° | 179.7° |
| N12 | C11 | N10 | C09 | 179.3° | 179.7° |
| C11 | N12 | C13 | H1 | 38.7° | 60.1° |
| C11 | N12 | C13 | H2 | 157.6° | 60.0° |
| C15 | C19 | O18 | C17 | 10.4° | 19.1° |
| C19 | C15 | C16 | C17 | 7.4° | 15.3° |
| C19 | C15 | C16 | H3 | 111.3° | 102.8° |
| C19 | C15 | C16 | H4 | 126.1° | 133.5° |
| C15 | C19 | C20 | H7 | 179.2° | 179.7° |
| O18 | C19 | C15 | C16 | 1.4° | 1.1° |
| C19 | O18 | C17 | C16 | 14.6° | 27.7° |
| C19 | O18 | C17 | H5 | 104.9° | 90.6° |
| C19 | O18 | C17 | H6 | 134.1° | 146.2° |
| O18 | C19 | C20 | H7 | 1.0° | 0.6° |
| C15 | C16 | C17 | O18 | 13.0° | 25.3° |
| C15 | C16 | C17 | H3 | 118.7° | 118.1° |
| C15 | C16 | C17 | H4 | 118.7° | 118.3° |
| C15 | C16 | H3 | H4 | 123.8° | 123.8° |
| C15 | C16 | C17 | H5 | 106.5° | 93.1° |
| C15 | C16 | C17 | H6 | 132.5° | 143.8° |
| N24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C25 | N24 | C11 | C28 | 179.3° | 180.0° |
| C25 | N24 | C11 | N10 | 179.7° | 179.9° |
| N24 | C25 | C26 | C29 | 179.8° | 180.0° |
| N24 | C25 | C26 | N27 | 0.6° | 0.0° |
| C25 | N24 | C28 | N27 | 0.6° | 0.1° |
| C25 | N24 | C28 | C08 | 179.4° | 180.0° |
| C25 | C26 | C29 | N30 | 50.1° | 44.5° |
| C26 | C25 | N24 | C11 | 179.3° | 180.0° |
| C25 | C26 | C29 | N27 | 179.1° | 180.0° |
| C26 | C25 | N24 | C28 | 0.0° | 0.0° |
| C25 | C26 | N27 | C28 | 1.0° | 0.1° |
| N30 | C29 | C26 | N27 | 130.8° | 135.5° |
| N24 | C11 | N10 | C09 | 0.5° | 0.1° |
| C11 | N24 | C28 | N27 | 180.0° | 180.0° |
| C11 | N24 | C28 | C08 | 1.2° | 0.1° |
| C11 | N24 | C25 | H17 | 0.6° | 0.0° |
| N24 | C11 | N12 | H18 | 57.4° | 0.1° |
| N10 | C11 | N24 | C28 | 1.0° | 0.1° |
| C11 | N10 | C09 | C08 | 0.1° | 0.1° |
| C11 | N10 | C09 | H16 | 179.9° | 180.0° |
| N10 | C11 | N12 | H18 | 123.7° | 179.7° |
| O18 | C17 | C16 | H5 | 119.5° | 118.3° |
| O18 | C17 | C16 | H6 | 119.5° | 118.6° |
| O18 | C17 | C16 | H3 | 105.7° | 92.9° |
| O18 | C17 | C16 | H4 | 131.7° | 143.5° |
| O18 | C17 | H5 | H6 | 121.5° | 123.4° |
| C29 | C26 | N27 | C28 | 179.8° | 180.0° |
| C29 | C26 | C25 | H17 | 0.2° | 0.0° |
| C17 | C16 | H3 | H4 | 123.7° | 123.7° |
| C16 | C17 | H5 | H6 | 121.5° | 123.2° |
| N24 | C28 | N27 | C26 | 0.9° | 0.1° |
| N24 | C28 | N27 | C08 | 178.6° | 179.9° |
| N24 | C28 | C08 | C09 | 0.8° | 0.1° |
| N24 | C28 | C08 | C07 | 179.5° | 180.0° |
| C28 | N24 | C25 | H17 | 180.0° | 180.0° |
| C26 | N27 | C28 | C08 | 179.5° | 180.0° |
| N27 | C26 | C25 | H17 | 179.4° | 180.0° |
| N10 | C09 | C08 | C28 | 0.2° | 0.1° |
| N10 | C09 | C08 | H16 | 180.0° | 179.9° |
| N10 | C09 | C08 | C07 | 178.9° | 180.0° |
| N27 | C28 | C08 | C09 | 179.2° | 179.9° |
| N27 | C28 | C08 | C07 | 2.1° | 0.1° |
| C28 | C08 | C09 | C07 | 178.7° | 180.0° |
| C28 | C08 | C07 | N02 | 55.2° | 171.8° |
| C28 | C08 | C07 | C06 | 127.5° | 7.8° |
| C28 | C08 | C09 | H16 | 179.8° | 180.0° |
| C09 | C08 | C07 | N02 | 123.4° | 8.2° |
| C09 | C08 | C07 | C06 | 53.9° | 172.2° |
| C08 | C07 | N02 | C06 | 177.8° | 179.7° |
| C08 | C07 | N02 | C01 | 1.1° | 0.3° |
| C08 | C07 | N02 | N03 | 178.5° | 180.0° |
| C08 | C07 | C06 | C04 | 178.5° | 179.7° |
| C08 | C07 | C06 | H15 | 1.6° | 0.3° |
| C07 | C08 | C09 | H16 | 1.1° | 0.1° |
| C07 | N02 | C01 | N03 | 179.5° | 179.7° |
| N02 | C07 | C06 | C04 | 0.7° | 0.0° |
| C07 | N02 | N03 | C04 | 0.2° | 0.5° |
| C07 | N02 | C01 | H9 | 179.5° | 80.5° |
| C07 | N02 | C01 | H10 | 59.5° | 159.5° |
| C07 | N02 | C01 | H11 | 60.5° | 39.5° |
| N02 | C07 | C06 | H15 | 179.3° | 179.9° |
| C06 | C07 | N02 | C01 | 178.9° | 180.0° |
| C06 | C07 | N02 | N03 | 0.6° | 0.3° |
| C07 | C06 | C04 | H15 | 180.0° | 180.0° |
| C07 | C06 | C04 | N03 | 0.6° | 0.3° |
| C07 | C06 | C04 | C05 | 179.4° | 180.0° |
| C01 | N02 | N03 | C04 | 179.4° | 179.8° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| N02 | C01 | H9 | H11 | 120.0° | 120.1° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | N03 | C04 | C06 | 0.2° | 0.4° |
| N02 | N03 | C04 | C05 | 179.8° | 179.8° |
| N03 | N02 | C01 | H9 | 0.0° | 99.1° |
| N03 | N02 | C01 | H10 | 120.0° | 20.8° |
| N03 | N02 | C01 | H11 | 120.0° | 140.8° |
| C06 | C04 | N03 | C05 | 180.0° | 179.7° |
| C06 | C04 | C05 | H12 | 179.9° | 90.0° |
| C06 | C04 | C05 | H13 | 60.0° | 150.0° |
| C06 | C04 | C05 | H14 | 59.9° | 30.0° |
| N03 | C04 | C05 | H12 | 0.0° | 90.3° |
| N03 | C04 | C05 | H13 | 120.0° | 29.7° |
| N03 | C04 | C05 | H14 | 120.0° | 149.7° |
| N03 | C04 | C06 | H15 | 179.4° | 179.8° |
| C04 | C05 | H12 | H13 | 120.0° | 120.0° |
| C04 | C05 | H12 | H14 | 120.0° | 120.0° |
| C04 | C05 | H13 | H14 | 120.0° | 120.0° |
| C05 | C04 | C06 | H15 | 0.6° | 0.0° |
| H1 | C13 | N12 | H18 | 82.5° | 120.0° |
| H2 | C13 | N12 | H18 | 36.4° | 120.0° |
| H3 | C16 | C17 | H5 | 134.8° | 148.8° |
| H3 | C16 | C17 | H6 | 13.8° | 25.7° |
| H4 | C16 | C17 | H5 | 12.2° | 25.2° |
| H4 | C16 | C17 | H6 | 108.8° | 97.9° |
| H7 | C20 | C21 | H8 | 0.0° | 0.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H12 | C05 | H13 | H14 | 120.0° | 120.0° |
