LXM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.42Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.35Å | |
| C10 | C3 | sing | 1.51Å | 1.52Å | |
| O1 | C4 | sing | 1.44Å | 1.43Å | |
| C3 | C4 | sing | 1.56Å | 1.53Å | |
| C3 | N | sing | 1.47Å | 1.48Å | |
| C4 | C1 | sing | 1.55Å | 1.56Å | |
| O2 | C11 | doub | 1.22Å | 1.23Å | |
| N | C11 | sing | 1.35Å | 1.40Å | |
| N | C2 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.48Å | 1.50Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.56Å | |
| O | C | sing | 1.43Å | 1.41Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| O | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 121.3° | 120.4° |
| C7 | C8 | C9 | 119.6° | 119.7° |
| C8 | C7 | H3 | 119.3° | 119.8° |
| C7 | C8 | H4 | 120.2° | 120.1° |
| C7 | C6 | C5 | 117.4° | 120.2° |
| C7 | C6 | H2 | 121.3° | 119.9° |
| C6 | C7 | H3 | 119.3° | 119.8° |
| C8 | C9 | C10 | 118.9° | 121.0° |
| C9 | C8 | H4 | 120.2° | 120.1° |
| C8 | C9 | H17 | 120.6° | 120.0° |
| C6 | C5 | C10 | 123.3° | 118.9° |
| C6 | C5 | O1 | 124.2° | 130.2° |
| C5 | C6 | H2 | 121.3° | 119.9° |
| C9 | C10 | C5 | 119.4° | 119.7° |
| C9 | C10 | C3 | 132.3° | 133.3° |
| C10 | C9 | H17 | 120.6° | 119.0° |
| C10 | C5 | O1 | 112.3° | 110.9° |
| C5 | C10 | C3 | 108.2° | 107.0° |
| C5 | O1 | C4 | 109.5° | 109.7° |
| C10 | C3 | C4 | 101.4° | 102.0° |
| C10 | C3 | N | 113.3° | 109.8° |
| C10 | C3 | H16 | 112.0° | 112.3° |
| O1 | C4 | C3 | 107.3° | 103.6° |
| O1 | C4 | C1 | 112.1° | 108.4° |
| O1 | C4 | H1 | 111.8° | 113.6° |
| C4 | C3 | N | 104.5° | 107.1° |
| C3 | C4 | C1 | 105.2° | 102.8° |
| C3 | C4 | H1 | 110.3° | 113.8° |
| C4 | C3 | H16 | 112.0° | 112.4° |
| C3 | N | C11 | 121.0° | 125.5° |
| C3 | N | C2 | 111.5° | 108.9° |
| N | C3 | H16 | 112.8° | 112.6° |
| C4 | C1 | C2 | 102.7° | 101.8° |
| C4 | C1 | C | 113.6° | 111.0° |
| C1 | C4 | H1 | 109.8° | 113.6° |
| C4 | C1 | H11 | 110.6° | 111.0° |
| O2 | C11 | N | 117.8° | 120.0° |
| O2 | C11 | C12 | 121.9° | 120.0° |
| C11 | N | C2 | 127.4° | 125.6° |
| N | C11 | C12 | 120.3° | 119.9° |
| N | C2 | C1 | 101.9° | 104.8° |
| N | C2 | H14 | 111.4° | 110.3° |
| N | C2 | H15 | 111.3° | 110.4° |
| C11 | C12 | C17 | 118.4° | 120.1° |
| C11 | C12 | C13 | 121.8° | 120.2° |
| C2 | C1 | C | 108.1° | 111.0° |
| C2 | C1 | H11 | 111.0° | 111.0° |
| C1 | C2 | H14 | 111.3° | 110.4° |
| C1 | C2 | H15 | 111.3° | 110.4° |
| C1 | C | O | 106.2° | 109.5° |
| C1 | C | H8 | 110.3° | 109.5° |
| C1 | C | H9 | 110.3° | 109.4° |
| C | C1 | H11 | 110.6° | 110.8° |
| O | C | H8 | 110.3° | 109.5° |
| O | C | H9 | 110.3° | 109.5° |
| C | O | H10 | 109.5° | 114.0° |
| C17 | C12 | C13 | 119.8° | 119.7° |
| C12 | C17 | C16 | 120.2° | 119.9° |
| C12 | C17 | H7 | 119.9° | 120.1° |
| C12 | C13 | C14 | 118.8° | 119.8° |
| C12 | C13 | H5 | 120.6° | 120.1° |
| C17 | C16 | C15 | 121.1° | 120.1° |
| C16 | C17 | H7 | 119.9° | 120.1° |
| C17 | C16 | H13 | 119.5° | 120.0° |
| C13 | C14 | C15 | 121.2° | 120.2° |
| C14 | C13 | H5 | 120.6° | 120.1° |
| C13 | C14 | H12 | 119.4° | 119.9° |
| C16 | C15 | C14 | 119.0° | 120.3° |
| C16 | C15 | H6 | 120.5° | 119.9° |
| C15 | C16 | H13 | 119.4° | 119.9° |
| C14 | C15 | H6 | 120.5° | 119.8° |
| C15 | C14 | H12 | 119.4° | 119.9° |
| H8 | C | H9 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C7 | C8 | C9 | C10 | 1.7° | 0.0° |
| C8 | C7 | C6 | H2 | 179.4° | 180.0° |
| C7 | C8 | C9 | H17 | 178.3° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 1.7° | 0.3° |
| C7 | C6 | C5 | O1 | 176.2° | 179.6° |
| C6 | C7 | C8 | H4 | 178.9° | 179.8° |
| C8 | C9 | C10 | H17 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.6° | 0.3° |
| C8 | C9 | C10 | C3 | 177.1° | 179.4° |
| C9 | C8 | C7 | H3 | 179.0° | 179.9° |
| C6 | C5 | C10 | C9 | 1.1° | 0.4° |
| C6 | C5 | C10 | O1 | 175.0° | 179.8° |
| C6 | C5 | C10 | C3 | 176.1° | 179.4° |
| C6 | C5 | O1 | C4 | 176.9° | 162.5° |
| C5 | C6 | C7 | H3 | 179.4° | 180.0° |
| C9 | C10 | C5 | C3 | 177.3° | 179.8° |
| C9 | C10 | C5 | O1 | 176.2° | 179.4° |
| C9 | C10 | C3 | C4 | 177.5° | 165.2° |
| C9 | C10 | C3 | N | 71.0° | 81.4° |
| C10 | C9 | C8 | H4 | 178.3° | 180.0° |
| C9 | C10 | C3 | H16 | 58.0° | 44.7° |
| C10 | C5 | O1 | C4 | 8.1° | 17.7° |
| C5 | C10 | C3 | C4 | 5.7° | 14.5° |
| C5 | C10 | C3 | N | 105.8° | 98.9° |
| C10 | C5 | C6 | H2 | 178.2° | 179.8° |
| C5 | C10 | C3 | H16 | 125.2° | 135.0° |
| C5 | C10 | C9 | H17 | 179.4° | 179.7° |
| O1 | C5 | C10 | C3 | 1.1° | 0.8° |
| C5 | O1 | C4 | C3 | 11.6° | 26.1° |
| C5 | O1 | C4 | C1 | 126.6° | 134.8° |
| C5 | O1 | C4 | H1 | 109.6° | 97.9° |
| O1 | C5 | C6 | H2 | 3.8° | 0.4° |
| C10 | C3 | C4 | O1 | 10.1° | 23.9° |
| C10 | C3 | C4 | N | 118.0° | 115.4° |
| C10 | C3 | C4 | H16 | 119.6° | 120.5° |
| C10 | C3 | N | H16 | 128.6° | 125.9° |
| C10 | C3 | C4 | C1 | 129.7° | 136.7° |
| C10 | C3 | N | C11 | 86.1° | 72.0° |
| C10 | C3 | N | C2 | 96.7° | 108.1° |
| C10 | C3 | C4 | H1 | 111.9° | 100.0° |
| C3 | C10 | C9 | H17 | 2.9° | 0.6° |
| O1 | C4 | C3 | C1 | 119.5° | 112.9° |
| O1 | C4 | C3 | H1 | 122.0° | 123.8° |
| O1 | C4 | C3 | N | 107.8° | 91.5° |
| O1 | C4 | C1 | H1 | 124.9° | 127.3° |
| O1 | C4 | C1 | C2 | 85.9° | 74.2° |
| O1 | C4 | C1 | C | 157.6° | 167.7° |
| O1 | C4 | C1 | H11 | 32.6° | 44.0° |
| O1 | C4 | C3 | H16 | 129.7° | 144.3° |
| C4 | C3 | N | H16 | 121.9° | 124.1° |
| C3 | C4 | C1 | H1 | 118.8° | 123.4° |
| C4 | C3 | N | C11 | 164.4° | 178.0° |
| C4 | C3 | N | C2 | 12.8° | 1.9° |
| C3 | C4 | C1 | C2 | 30.4° | 35.1° |
| C3 | C4 | C1 | C | 86.1° | 83.1° |
| C3 | C4 | C1 | H11 | 148.9° | 153.2° |
| N | C3 | C4 | C1 | 11.7° | 21.4° |
| C3 | N | C11 | O2 | 10.9° | 3.7° |
| C3 | N | C11 | C2 | 176.8° | 179.9° |
| C3 | N | C11 | C12 | 166.4° | 176.3° |
| C3 | N | C2 | C1 | 32.0° | 24.7° |
| N | C3 | C4 | H1 | 130.1° | 144.7° |
| C3 | N | C2 | H14 | 86.7° | 94.1° |
| C3 | N | C2 | H15 | 150.8° | 143.6° |
| C4 | C1 | C2 | N | 37.1° | 37.2° |
| C4 | C1 | C2 | C | 120.3° | 118.1° |
| C4 | C1 | C2 | H11 | 118.2° | 118.2° |
| C4 | C1 | C | H11 | 125.0° | 123.8° |
| C4 | C1 | C | O | 65.8° | 175.0° |
| C4 | C1 | C | H8 | 174.7° | 55.0° |
| C4 | C1 | C | H9 | 53.6° | 65.0° |
| C4 | C1 | C2 | H14 | 81.7° | 81.6° |
| C4 | C1 | C2 | H15 | 155.9° | 156.0° |
| C1 | C4 | C3 | H16 | 110.7° | 102.8° |
| O2 | C11 | N | C12 | 177.3° | 180.0° |
| O2 | C11 | N | C2 | 165.9° | 176.4° |
| O2 | C11 | C12 | C17 | 130.6° | 27.5° |
| O2 | C11 | C12 | C13 | 46.7° | 152.4° |
| C11 | N | C2 | C1 | 145.0° | 155.2° |
| N | C11 | C12 | C17 | 46.6° | 152.5° |
| N | C11 | C12 | C13 | 136.1° | 27.6° |
| C11 | N | C2 | H14 | 96.2° | 86.0° |
| C11 | N | C2 | H15 | 26.2° | 36.3° |
| C11 | N | C3 | H16 | 42.5° | 53.9° |
| C2 | N | C11 | C12 | 16.8° | 3.6° |
| N | C2 | C1 | H14 | 118.8° | 118.8° |
| N | C2 | C1 | H15 | 118.8° | 118.8° |
| N | C2 | C1 | C | 83.2° | 80.9° |
| N | C2 | C1 | H11 | 155.3° | 155.4° |
| N | C2 | H14 | H15 | 123.5° | 122.3° |
| C2 | N | C3 | H16 | 134.7° | 126.0° |
| C11 | C12 | C17 | C13 | 177.3° | 179.9° |
| C11 | C12 | C17 | C16 | 176.5° | 179.5° |
| C11 | C12 | C13 | C14 | 176.7° | 180.0° |
| C11 | C12 | C13 | H5 | 3.3° | 0.4° |
| C11 | C12 | C17 | H7 | 3.5° | 0.2° |
| C2 | C1 | C | H11 | 121.7° | 123.8° |
| C2 | C1 | C | O | 179.1° | 72.5° |
| C2 | C1 | C4 | H1 | 149.2° | 158.5° |
| C2 | C1 | C | H8 | 61.4° | 167.4° |
| C2 | C1 | C | H9 | 59.6° | 47.5° |
| C1 | C2 | H14 | H15 | 123.5° | 122.4° |
| C1 | C | O | H8 | 119.5° | 120.0° |
| C1 | C | O | H9 | 119.5° | 120.0° |
| C | C1 | C4 | H1 | 32.7° | 40.4° |
| C1 | C | H8 | H9 | 121.5° | 119.9° |
| C1 | C | O | H10 | 180.0° | 179.9° |
| C | C1 | C2 | H14 | 158.0° | 160.3° |
| C | C1 | C2 | H15 | 35.5° | 37.9° |
| O | C | H8 | H9 | 121.5° | 120.0° |
| O | C | C1 | H11 | 59.2° | 51.2° |
| C12 | C17 | C16 | H7 | 180.0° | 179.3° |
| C17 | C12 | C13 | C14 | 0.5° | 0.1° |
| C12 | C17 | C16 | C15 | 0.5° | 0.7° |
| C17 | C12 | C13 | H5 | 179.5° | 179.7° |
| C12 | C17 | C16 | H13 | 179.6° | 179.3° |
| C13 | C12 | C17 | C16 | 0.8° | 0.4° |
| C12 | C13 | C14 | H5 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C12 | C17 | H7 | 179.2° | 179.7° |
| C12 | C13 | C14 | H12 | 179.8° | 179.7° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.6° |
| C17 | C16 | C15 | H6 | 179.8° | 179.5° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H6 | 179.5° | 180.0° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | H7 | 179.6° | 180.0° |
| C16 | C15 | C14 | H12 | 179.5° | 179.9° |
| C15 | C14 | C13 | H5 | 179.8° | 179.9° |
| C14 | C15 | C16 | H13 | 179.8° | 179.5° |
| H1 | C4 | C1 | H11 | 92.3° | 83.3° |
| H1 | C4 | C3 | H16 | 7.7° | 20.5° |
| H2 | C6 | C7 | H3 | 0.7° | 0.1° |
| H3 | C7 | C8 | H4 | 1.0° | 0.2° |
| H4 | C8 | C9 | H17 | 1.7° | 0.0° |
| H5 | C13 | C14 | H12 | 0.2° | 0.1° |
| H6 | C15 | C14 | H12 | 0.5° | 0.0° |
| H6 | C15 | C16 | H13 | 0.2° | 0.4° |
| H7 | C17 | C16 | H13 | 0.4° | 0.0° |
| H8 | C | O | H10 | 60.5° | 60.1° |
| H8 | C | C1 | H11 | 60.3° | 68.8° |
| H9 | C | O | H10 | 60.5° | 60.0° |
| H9 | C | C1 | H11 | 178.6° | 171.2° |
| H11 | C1 | C2 | H14 | 36.5° | 36.6° |
| H11 | C1 | C2 | H15 | 86.0° | 85.8° |
