LX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| C29 | N1 | sing | 1.40Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.31Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.28Å | Aromatic |
| N26 | C3 | sing | 1.40Å | 1.31Å | |
| C3 | C4 | sing | 1.42Å | 1.47Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.34Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.51Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C22 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.48Å | 1.52Å | |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | O25 | doub | 1.22Å | 1.23Å | |
| C16 | N17 | sing | 1.35Å | 1.36Å | |
| C19 | N17 | sing | 1.46Å | 1.46Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C22 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| N26 | HN2A | sing | 0.97Å | 1.00Å | |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | C32 | sing | 1.48Å | 1.49Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C52 | C39 | doub | 1.40Å | 1.42Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C42 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C49 | C42 | sing | 1.41Å | 1.39Å | Aromatic |
| N43 | C42 | sing | 1.38Å | 1.35Å | Aromatic |
| C45 | N43 | sing | 1.37Å | 1.31Å | Aromatic |
| C47 | C45 | doub | 1.34Å | 1.35Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | sing | 1.46Å | 1.51Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.40Å | 1.40Å | Aromatic |
| C50 | C52 | sing | 1.36Å | 1.41Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| N43 | HN43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N1 | C29 | 127.2° | 125.8° |
| N2 | N1 | C5 | 108.6° | 108.4° |
| N1 | N2 | C3 | 111.6° | 108.5° |
| C29 | N1 | C5 | 124.1° | 125.8° |
| N1 | C29 | C30 | 117.6° | 120.0° |
| N1 | C29 | C37 | 122.4° | 120.0° |
| N1 | C5 | C4 | 109.3° | 107.7° |
| N1 | C5 | H5 | 125.4° | 126.1° |
| N2 | C3 | N26 | 125.5° | 126.0° |
| N2 | C3 | C4 | 104.9° | 107.9° |
| N26 | C3 | C4 | 129.7° | 126.0° |
| C3 | N26 | HN26 | 109.5° | 120.0° |
| C3 | N26 | HN2A | 109.5° | 120.0° |
| C3 | C4 | C5 | 105.5° | 107.4° |
| C3 | C4 | C7 | 130.9° | 126.3° |
| C5 | C4 | C7 | 123.4° | 126.3° |
| C4 | C5 | H5 | 125.3° | 126.2° |
| C4 | C7 | C14 | 118.8° | 119.9° |
| C4 | C7 | C8 | 121.8° | 119.9° |
| C14 | C7 | C8 | 119.3° | 120.2° |
| C7 | C14 | C12 | 121.1° | 119.9° |
| C7 | C14 | H14 | 119.5° | 120.0° |
| C7 | C8 | C10 | 120.3° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C10 | C8 | H8 | 119.9° | 120.0° |
| C8 | C10 | C11 | 120.3° | 120.1° |
| C8 | C10 | C22 | 119.2° | 120.8° |
| C11 | C10 | C22 | 120.5° | 119.1° |
| C10 | C11 | C12 | 119.7° | 120.2° |
| C10 | C11 | C16 | 119.8° | 118.8° |
| C10 | C22 | C19 | 112.0° | 109.9° |
| C10 | C22 | H22 | 108.6° | 109.4° |
| C10 | C22 | H22A | 108.7° | 109.4° |
| C12 | C11 | C16 | 120.4° | 121.1° |
| C11 | C12 | C14 | 119.4° | 119.7° |
| C11 | C12 | H12 | 120.3° | 120.2° |
| C11 | C16 | O25 | 120.4° | 120.4° |
| C11 | C16 | N17 | 118.0° | 119.1° |
| C14 | C12 | H12 | 120.3° | 120.2° |
| C12 | C14 | H14 | 119.4° | 120.0° |
| O25 | C16 | N17 | 121.5° | 120.5° |
| C16 | N17 | C19 | 124.5° | 121.2° |
| C16 | N17 | HN17 | 117.8° | 119.3° |
| C19 | N17 | HN17 | 117.8° | 119.5° |
| N17 | C19 | C22 | 114.8° | 111.0° |
| N17 | C19 | H19 | 107.7° | 109.2° |
| N17 | C19 | H19A | 107.8° | 109.1° |
| C22 | C19 | H19 | 107.8° | 109.2° |
| C22 | C19 | H19A | 107.7° | 109.1° |
| C19 | C22 | H22 | 108.7° | 109.4° |
| C19 | C22 | H22A | 108.6° | 109.4° |
| H19 | C19 | H19A | 111.2° | 109.2° |
| H22 | C22 | H22A | 110.3° | 109.3° |
| HN26 | N26 | HN2A | 109.5° | 120.0° |
| C30 | C29 | C37 | 120.0° | 120.0° |
| C29 | C30 | C32 | 120.5° | 119.8° |
| C29 | C30 | H30 | 119.7° | 120.1° |
| C29 | C37 | C35 | 119.6° | 120.2° |
| C29 | C37 | H37 | 120.2° | 119.9° |
| C32 | C30 | H30 | 119.8° | 120.1° |
| C30 | C32 | C39 | 120.5° | 120.1° |
| C30 | C32 | C33 | 119.2° | 119.8° |
| C39 | C32 | C33 | 120.3° | 120.1° |
| C32 | C39 | C52 | 120.6° | 119.8° |
| C32 | C39 | C40 | 119.1° | 119.8° |
| C32 | C33 | C35 | 120.5° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C35 | C33 | H33 | 119.8° | 120.0° |
| C33 | C35 | C37 | 120.2° | 120.2° |
| C33 | C35 | H35 | 119.9° | 119.9° |
| C37 | C35 | H35 | 119.9° | 119.9° |
| C35 | C37 | H37 | 120.2° | 119.9° |
| C52 | C39 | C40 | 120.3° | 120.4° |
| C39 | C52 | C50 | 122.3° | 120.4° |
| C39 | C52 | H52 | 118.8° | 119.8° |
| C39 | C40 | C42 | 117.2° | 119.7° |
| C39 | C40 | H40 | 121.4° | 120.2° |
| C42 | C40 | H40 | 121.4° | 120.1° |
| C40 | C42 | C49 | 121.9° | 119.5° |
| C40 | C42 | N43 | 128.6° | 133.4° |
| C49 | C42 | N43 | 109.4° | 107.1° |
| C42 | C49 | C47 | 103.1° | 106.1° |
| C42 | C49 | C50 | 122.3° | 120.1° |
| C42 | N43 | C45 | 111.0° | 109.9° |
| C42 | N43 | HN43 | 124.5° | 125.1° |
| N43 | C45 | C47 | 110.9° | 110.0° |
| N43 | C45 | H45 | 124.5° | 125.0° |
| C45 | N43 | HN43 | 124.5° | 125.1° |
| C47 | C45 | H45 | 124.6° | 125.0° |
| C45 | C47 | C49 | 105.7° | 107.0° |
| C45 | C47 | H47 | 127.2° | 126.5° |
| C49 | C47 | H47 | 127.2° | 126.5° |
| C47 | C49 | C50 | 134.7° | 133.8° |
| C49 | C50 | C52 | 115.9° | 120.0° |
| C49 | C50 | H50 | 122.0° | 120.0° |
| C52 | C50 | H50 | 122.0° | 120.0° |
| C50 | C52 | H52 | 118.8° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | C29 | C5 | 177.0° | 179.7° |
| N1 | N2 | C3 | N26 | 179.7° | 180.0° |
| N1 | N2 | C3 | C4 | 1.0° | 0.0° |
| N2 | N1 | C5 | C4 | 2.2° | 0.0° |
| N2 | N1 | C5 | H5 | 177.8° | 180.0° |
| N2 | N1 | C29 | C30 | 34.8° | 5.6° |
| N2 | N1 | C29 | C37 | 148.5° | 174.7° |
| C29 | N1 | N2 | C3 | 178.1° | 179.7° |
| C29 | N1 | C5 | C4 | 179.7° | 179.7° |
| C29 | N1 | C5 | H5 | 0.3° | 0.2° |
| N1 | C29 | C30 | C37 | 176.8° | 179.7° |
| N1 | C29 | C30 | C32 | 178.2° | 180.0° |
| N1 | C29 | C30 | H30 | 1.8° | 0.0° |
| N1 | C29 | C37 | C35 | 178.1° | 179.7° |
| N1 | C29 | C37 | H37 | 1.9° | 0.0° |
| C5 | N1 | N2 | C3 | 0.7° | 0.0° |
| N1 | C5 | C4 | C3 | 2.7° | 0.0° |
| N1 | C5 | C4 | H5 | 180.0° | 180.0° |
| N1 | C5 | C4 | C7 | 178.0° | 180.0° |
| C5 | N1 | C29 | C30 | 142.2° | 174.7° |
| C5 | N1 | C29 | C37 | 34.5° | 5.0° |
| N2 | C3 | N26 | C4 | 179.1° | 180.0° |
| N2 | C3 | C4 | C5 | 2.3° | 0.0° |
| N2 | C3 | C4 | C7 | 177.0° | 180.0° |
| N2 | C3 | N26 | HN26 | 0.0° | 0.0° |
| N2 | C3 | N26 | HN2A | 120.0° | 180.0° |
| N26 | C3 | C4 | C5 | 178.5° | 180.0° |
| N26 | C3 | C4 | C7 | 3.7° | 0.0° |
| C3 | N26 | HN26 | HN2A | 120.0° | 180.0° |
| C3 | C4 | C5 | C7 | 175.3° | 180.0° |
| C3 | C4 | C5 | H5 | 177.3° | 180.0° |
| C3 | C4 | C7 | C14 | 36.3° | 130.0° |
| C3 | C4 | C7 | C8 | 147.7° | 49.7° |
| C4 | C3 | N26 | HN26 | 179.1° | 180.0° |
| C4 | C3 | N26 | HN2A | 60.9° | 0.0° |
| C5 | C4 | C7 | C14 | 137.7° | 50.0° |
| C5 | C4 | C7 | C8 | 38.4° | 130.2° |
| C7 | C4 | C5 | H5 | 2.0° | 0.1° |
| C4 | C7 | C14 | C8 | 176.1° | 179.7° |
| C4 | C7 | C8 | C10 | 177.6° | 180.0° |
| C4 | C7 | C8 | H8 | 2.4° | 0.0° |
| C4 | C7 | C14 | C12 | 177.7° | 179.7° |
| C4 | C7 | C14 | H14 | 2.3° | 0.1° |
| C14 | C7 | C8 | C10 | 1.6° | 0.3° |
| C14 | C7 | C8 | H8 | 178.4° | 179.7° |
| C7 | C14 | C12 | C11 | 0.5° | 0.6° |
| C7 | C14 | C12 | H14 | 180.0° | 179.6° |
| C7 | C14 | C12 | H12 | 179.5° | 179.8° |
| C7 | C8 | C10 | H8 | 180.0° | 180.0° |
| C7 | C8 | C10 | C11 | 0.6° | 0.0° |
| C7 | C8 | C10 | C22 | 178.9° | 179.9° |
| C8 | C7 | C14 | C12 | 1.6° | 0.6° |
| C8 | C7 | C14 | H14 | 178.4° | 179.8° |
| C8 | C10 | C11 | C22 | 179.5° | 179.9° |
| C8 | C10 | C11 | C12 | 0.4° | 0.1° |
| C8 | C10 | C11 | C16 | 178.6° | 180.0° |
| C8 | C10 | C22 | C19 | 154.0° | 146.0° |
| C8 | C10 | C22 | H22 | 34.0° | 93.8° |
| C8 | C10 | C22 | H22A | 86.0° | 25.9° |
| H8 | C8 | C10 | C11 | 179.4° | 179.9° |
| H8 | C8 | C10 | C22 | 1.1° | 0.1° |
| C10 | C11 | C12 | C16 | 178.1° | 180.0° |
| C10 | C11 | C12 | C14 | 0.5° | 0.4° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C10 | C11 | C16 | O25 | 170.7° | 162.3° |
| C10 | C11 | C16 | N17 | 13.5° | 17.7° |
| C11 | C10 | C22 | C19 | 26.5° | 34.1° |
| C11 | C10 | C22 | H22 | 146.5° | 86.1° |
| C11 | C10 | C22 | H22A | 93.5° | 154.2° |
| C22 | C10 | C11 | C12 | 179.9° | 179.9° |
| C22 | C10 | C11 | C16 | 1.9° | 0.1° |
| C10 | C22 | C19 | N17 | 36.7° | 51.3° |
| C10 | C22 | C19 | H22 | 120.0° | 120.2° |
| C10 | C22 | C19 | H22A | 120.0° | 120.1° |
| C10 | C22 | C19 | H19 | 156.7° | 69.1° |
| C10 | C22 | C19 | H19A | 83.3° | 171.6° |
| C10 | C22 | H22 | H22A | 119.0° | 119.8° |
| C11 | C12 | C14 | H12 | 180.0° | 179.6° |
| C11 | C12 | C14 | H14 | 179.5° | 179.8° |
| C12 | C11 | C16 | O25 | 11.2° | 17.6° |
| C12 | C11 | C16 | N17 | 164.7° | 162.3° |
| C16 | C11 | C12 | C14 | 178.6° | 179.7° |
| C16 | C11 | C12 | H12 | 1.4° | 0.0° |
| C11 | C16 | O25 | N17 | 175.7° | 180.0° |
| C11 | C16 | N17 | C19 | 1.2° | 2.7° |
| C11 | C16 | N17 | HN17 | 178.8° | 177.3° |
| H12 | C12 | C14 | H14 | 0.5° | 0.1° |
| O25 | C16 | N17 | C19 | 177.0° | 177.2° |
| O25 | C16 | N17 | HN17 | 3.0° | 2.7° |
| C16 | N17 | C19 | HN17 | 180.0° | 180.0° |
| C16 | N17 | C19 | C22 | 24.7° | 37.8° |
| C16 | N17 | C19 | H19 | 144.7° | 82.6° |
| C16 | N17 | C19 | H19A | 95.3° | 158.1° |
| N17 | C19 | C22 | H19 | 120.0° | 120.4° |
| N17 | C19 | C22 | H19A | 120.0° | 120.3° |
| N17 | C19 | H19 | H19A | 117.8° | 119.2° |
| N17 | C19 | C22 | H22 | 156.7° | 68.9° |
| N17 | C19 | C22 | H22A | 83.3° | 171.4° |
| HN17 | N17 | C19 | C22 | 155.3° | 142.2° |
| HN17 | N17 | C19 | H19 | 35.3° | 97.3° |
| HN17 | N17 | C19 | H19A | 84.7° | 21.9° |
| C22 | C19 | H19 | H19A | 117.8° | 119.3° |
| C19 | C22 | H22 | H22A | 119.0° | 119.8° |
| H19 | C19 | C22 | H22 | 83.3° | 170.7° |
| H19 | C19 | C22 | H22A | 36.7° | 51.0° |
| H19A | C19 | C22 | H22 | 36.7° | 51.4° |
| H19A | C19 | C22 | H22A | 156.7° | 68.3° |
| C29 | C30 | C32 | H30 | 180.0° | 180.0° |
| C29 | C30 | C32 | C39 | 179.4° | 180.0° |
| C29 | C30 | C32 | C33 | 1.1° | 0.0° |
| C30 | C29 | C37 | C35 | 1.4° | 0.5° |
| C30 | C29 | C37 | H37 | 178.6° | 179.8° |
| C37 | C29 | C30 | C32 | 1.4° | 0.2° |
| C37 | C29 | C30 | H30 | 178.6° | 179.8° |
| C29 | C37 | C35 | C33 | 1.3° | 0.6° |
| C29 | C37 | C35 | H37 | 180.0° | 179.7° |
| C29 | C37 | C35 | H35 | 178.7° | 179.7° |
| C30 | C32 | C39 | C33 | 178.2° | 180.0° |
| C30 | C32 | C33 | C35 | 1.0° | 0.1° |
| C30 | C32 | C33 | H33 | 179.0° | 180.0° |
| C30 | C32 | C39 | C52 | 155.2° | 0.3° |
| C30 | C32 | C39 | C40 | 27.1° | 180.0° |
| H30 | C30 | C32 | C39 | 0.6° | 0.0° |
| H30 | C30 | C32 | C33 | 178.8° | 180.0° |
| C39 | C32 | C33 | C35 | 179.3° | 179.9° |
| C39 | C32 | C33 | H33 | 0.7° | 0.0° |
| C32 | C39 | C52 | C40 | 177.7° | 179.8° |
| C32 | C39 | C40 | C42 | 178.7° | 180.0° |
| C32 | C39 | C40 | H40 | 1.3° | 0.0° |
| C32 | C39 | C52 | C50 | 179.3° | 179.8° |
| C32 | C39 | C52 | H52 | 0.7° | 0.2° |
| C32 | C33 | C35 | H33 | 180.0° | 179.9° |
| C32 | C33 | C35 | C37 | 1.1° | 0.4° |
| C32 | C33 | C35 | H35 | 178.9° | 179.9° |
| C33 | C32 | C39 | C52 | 26.6° | 179.8° |
| C33 | C32 | C39 | C40 | 151.1° | 0.0° |
| C33 | C35 | C37 | H35 | 180.0° | 179.7° |
| C33 | C35 | C37 | H37 | 178.7° | 179.7° |
| H33 | C33 | C35 | C37 | 178.9° | 179.8° |
| H33 | C33 | C35 | H35 | 1.1° | 0.0° |
| H35 | C35 | C37 | H37 | 1.3° | 0.0° |
| C52 | C39 | C40 | C42 | 1.0° | 0.2° |
| C52 | C39 | C40 | H40 | 179.0° | 179.8° |
| C39 | C52 | C50 | C49 | 1.0° | 0.5° |
| C39 | C52 | C50 | H52 | 180.0° | 179.6° |
| C39 | C52 | C50 | H50 | 178.9° | 179.7° |
| C39 | C40 | C42 | H40 | 180.0° | 180.0° |
| C39 | C40 | C42 | C49 | 0.1° | 0.0° |
| C39 | C40 | C42 | N43 | 179.0° | 180.0° |
| C40 | C39 | C52 | C50 | 1.6° | 0.4° |
| C40 | C39 | C52 | H52 | 178.4° | 180.0° |
| C40 | C42 | C49 | N43 | 179.2° | 180.0° |
| C40 | C42 | N43 | C45 | 179.4° | 180.0° |
| C40 | C42 | C49 | C47 | 179.6° | 180.0° |
| C40 | C42 | C49 | C50 | 0.4° | 0.1° |
| C40 | C42 | N43 | HN43 | 0.6° | 0.1° |
| H40 | C40 | C42 | C49 | 179.9° | 179.9° |
| H40 | C40 | C42 | N43 | 1.0° | 0.0° |
| C49 | C42 | N43 | C45 | 0.2° | 0.1° |
| C42 | C49 | C47 | C45 | 0.4° | 0.0° |
| C42 | C49 | C47 | C50 | 179.9° | 179.9° |
| C42 | C49 | C47 | H47 | 179.6° | 179.9° |
| C42 | C49 | C50 | C52 | 0.0° | 0.3° |
| C42 | C49 | C50 | H50 | 179.9° | 179.9° |
| C49 | C42 | N43 | HN43 | 179.8° | 180.0° |
| C42 | N43 | C45 | HN43 | 180.0° | 179.9° |
| C42 | N43 | C45 | C47 | 0.1° | 0.0° |
| C42 | N43 | C45 | H45 | 179.9° | 179.9° |
| N43 | C42 | C49 | C47 | 0.4° | 0.1° |
| N43 | C42 | C49 | C50 | 179.7° | 180.0° |
| N43 | C45 | C47 | H45 | 180.0° | 180.0° |
| N43 | C45 | C47 | C49 | 0.3° | 0.0° |
| N43 | C45 | C47 | H47 | 179.7° | 180.0° |
| C45 | C47 | C49 | H47 | 180.0° | 179.9° |
| C45 | C47 | C49 | C50 | 179.6° | 179.9° |
| C47 | C45 | N43 | HN43 | 179.9° | 179.9° |
| H45 | C45 | C47 | C49 | 179.7° | 180.0° |
| H45 | C45 | C47 | H47 | 0.3° | 0.0° |
| H45 | C45 | N43 | HN43 | 0.1° | 0.0° |
| C47 | C49 | C50 | C52 | 179.9° | 179.8° |
| C47 | C49 | C50 | H50 | 0.1° | 0.0° |
| H47 | C47 | C49 | C50 | 0.3° | 0.0° |
| C49 | C50 | C52 | H50 | 180.0° | 179.8° |
| C49 | C50 | C52 | H52 | 179.0° | 179.9° |
| H50 | C50 | C52 | H52 | 1.1° | 0.1° |
