LO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O20 | sing | 1.43Å | 1.42Å | |
| O20 | C16 | sing | 1.36Å | 1.38Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N11 | sing | 1.47Å | 1.48Å | |
| N11 | C10 | sing | 1.36Å | 1.42Å | Aromatic |
| N11 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C8 | doub | 1.37Å | 1.36Å | Aromatic |
| C12 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.51Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.56Å | Aromatic |
| C9 | C4 | sing | 1.46Å | 1.43Å | Aromatic |
| C6 | C3 | sing | 1.45Å | 1.51Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.35Å | Aromatic |
| C4 | O5 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.46Å | 1.41Å | Aromatic |
| O5 | N1 | sing | 1.21Å | 1.37Å | Aromatic |
| C2 | N1 | doub | 1.30Å | 1.30Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O20 | C16 | 120.0° | 117.0° |
| O20 | C23 | H14 | 109.5° | 109.5° |
| O20 | C23 | H15 | 109.4° | 109.5° |
| O20 | C23 | H16 | 109.5° | 109.5° |
| O20 | C16 | C17 | 122.6° | 120.0° |
| O20 | C16 | C15 | 116.1° | 120.0° |
| C17 | C16 | C15 | 121.3° | 119.9° |
| C16 | C17 | C18 | 118.2° | 119.9° |
| C16 | C17 | H8 | 120.9° | 120.0° |
| C16 | C15 | C14 | 120.3° | 120.0° |
| C16 | C15 | H7 | 119.9° | 119.9° |
| C17 | C18 | O21 | 121.7° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | H8 | 120.9° | 120.1° |
| C15 | C14 | C19 | 118.6° | 120.1° |
| C15 | C14 | C13 | 128.0° | 120.0° |
| C14 | C15 | H7 | 119.8° | 120.0° |
| O21 | C18 | C19 | 117.6° | 120.0° |
| C18 | O21 | C22 | 120.8° | 117.0° |
| C18 | C19 | C14 | 120.9° | 120.0° |
| C18 | C19 | H9 | 119.5° | 120.0° |
| O21 | C22 | H11 | 109.5° | 109.5° |
| O21 | C22 | H12 | 109.5° | 109.5° |
| O21 | C22 | H13 | 109.5° | 109.5° |
| C19 | C14 | C13 | 113.4° | 119.9° |
| C14 | C19 | H9 | 119.5° | 119.9° |
| C14 | C13 | N11 | 119.0° | 109.5° |
| C14 | C13 | H5 | 107.0° | 109.5° |
| C14 | C13 | H6 | 107.0° | 109.6° |
| C13 | N11 | C10 | 134.8° | 124.6° |
| C13 | N11 | C12 | 118.1° | 124.6° |
| N11 | C13 | H5 | 107.1° | 109.4° |
| N11 | C13 | H6 | 107.0° | 109.5° |
| C10 | N11 | C12 | 107.0° | 110.9° |
| N11 | C10 | C8 | 108.7° | 108.6° |
| N11 | C10 | H3 | 125.6° | 125.7° |
| N11 | C12 | C9 | 107.2° | 108.6° |
| N11 | C12 | H4 | 126.4° | 125.7° |
| C10 | C8 | C7 | 128.7° | 134.8° |
| C10 | C8 | C9 | 107.0° | 105.9° |
| C8 | C10 | H3 | 125.7° | 125.7° |
| C12 | C9 | C8 | 110.1° | 106.1° |
| C12 | C9 | C4 | 131.4° | 135.4° |
| C9 | C12 | H4 | 126.4° | 125.7° |
| C7 | C8 | C9 | 124.3° | 119.3° |
| C8 | C7 | C6 | 115.0° | 120.1° |
| C8 | C7 | H2 | 122.5° | 119.9° |
| C8 | C9 | C4 | 118.5° | 118.6° |
| C7 | C6 | C3 | 115.2° | 121.5° |
| C7 | C6 | H1 | 122.4° | 119.2° |
| C6 | C7 | H2 | 122.5° | 120.0° |
| C9 | C4 | C3 | 123.4° | 118.9° |
| C9 | C4 | O5 | 125.8° | 135.3° |
| C6 | C3 | C4 | 123.7° | 121.6° |
| C6 | C3 | C2 | 132.2° | 135.4° |
| C3 | C6 | H1 | 122.4° | 119.3° |
| C3 | C4 | O5 | 110.8° | 105.8° |
| C4 | C3 | C2 | 104.2° | 103.0° |
| C4 | O5 | N1 | 105.7° | 112.8° |
| C3 | C2 | N1 | 110.2° | 105.3° |
| C3 | C2 | H10 | 124.9° | 127.3° |
| O5 | N1 | C2 | 109.1° | 113.1° |
| N1 | C2 | H10 | 124.9° | 127.3° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H11 | C22 | H13 | 109.5° | 109.4° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O20 | C16 | C17 | 49.0° | 0.0° |
| C23 | O20 | C16 | C15 | 131.5° | 180.0° |
| O20 | C23 | H14 | H15 | 120.0° | 120.1° |
| O20 | C23 | H14 | H16 | 120.0° | 120.0° |
| O20 | C23 | H15 | H16 | 120.0° | 120.0° |
| O20 | C16 | C17 | C15 | 179.5° | 180.0° |
| O20 | C16 | C17 | C18 | 179.7° | 180.0° |
| O20 | C16 | C15 | C14 | 179.4° | 180.0° |
| O20 | C16 | C15 | H7 | 0.6° | 0.0° |
| O20 | C16 | C17 | H8 | 0.3° | 0.0° |
| C16 | O20 | C23 | H14 | 180.0° | 60.0° |
| C16 | O20 | C23 | H15 | 60.0° | 60.1° |
| C16 | O20 | C23 | H16 | 60.0° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C18 | O21 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | H7 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.6° | 0.0° |
| C16 | C15 | C14 | C13 | 179.3° | 179.7° |
| C15 | C16 | C17 | H8 | 179.8° | 180.0° |
| C17 | C18 | O21 | C19 | 179.9° | 180.0° |
| C17 | C18 | O21 | C22 | 174.4° | 0.0° |
| C17 | C18 | C19 | C14 | 0.3° | 0.0° |
| C17 | C18 | C19 | H9 | 179.7° | 179.7° |
| C15 | C14 | C19 | C18 | 0.6° | 0.0° |
| C15 | C14 | C19 | C13 | 178.9° | 179.8° |
| C15 | C14 | C13 | N11 | 135.6° | 89.7° |
| C15 | C14 | C13 | H5 | 14.2° | 30.2° |
| C15 | C14 | C13 | H6 | 103.1° | 150.2° |
| C15 | C14 | C19 | H9 | 179.4° | 179.7° |
| O21 | C18 | C19 | C14 | 179.8° | 180.0° |
| O21 | C18 | C17 | H8 | 0.2° | 0.0° |
| O21 | C18 | C19 | H9 | 0.1° | 0.3° |
| C18 | O21 | C22 | H11 | 180.0° | 180.0° |
| C18 | O21 | C22 | H12 | 60.0° | 60.0° |
| C18 | O21 | C22 | H13 | 60.0° | 60.0° |
| C19 | C18 | O21 | C22 | 5.8° | 180.0° |
| C18 | C19 | C14 | H9 | 180.0° | 179.7° |
| C18 | C19 | C14 | C13 | 179.6° | 179.7° |
| C19 | C18 | C17 | H8 | 179.9° | 180.0° |
| O21 | C22 | H11 | H12 | 120.0° | 120.0° |
| O21 | C22 | H11 | H13 | 120.0° | 120.0° |
| O21 | C22 | H12 | H13 | 120.0° | 120.0° |
| C19 | C14 | C13 | N11 | 43.3° | 90.0° |
| C19 | C14 | C13 | H5 | 164.6° | 150.0° |
| C19 | C14 | C13 | H6 | 78.1° | 30.0° |
| C19 | C14 | C15 | H7 | 179.5° | 179.9° |
| C14 | C13 | N11 | H5 | 121.4° | 120.0° |
| C14 | C13 | N11 | H6 | 121.3° | 120.1° |
| C14 | C13 | N11 | C10 | 51.8° | 90.0° |
| C14 | C13 | N11 | C12 | 126.7° | 90.0° |
| C14 | C13 | H5 | H6 | 115.7° | 120.1° |
| C13 | C14 | C15 | H7 | 0.7° | 0.3° |
| C13 | C14 | C19 | H9 | 0.5° | 0.0° |
| C13 | N11 | C10 | C12 | 178.6° | 180.0° |
| C13 | N11 | C10 | C8 | 179.0° | 180.0° |
| C13 | N11 | C12 | C9 | 179.3° | 180.0° |
| C13 | N11 | C10 | H3 | 1.0° | 0.5° |
| C13 | N11 | C12 | H4 | 0.7° | 0.0° |
| N11 | C13 | H5 | H6 | 115.7° | 119.9° |
| N11 | C10 | C8 | H3 | 180.0° | 179.5° |
| C10 | N11 | C12 | C9 | 0.4° | 0.0° |
| N11 | C10 | C8 | C7 | 179.4° | 179.5° |
| N11 | C10 | C8 | C9 | 0.3° | 0.0° |
| C10 | N11 | C12 | H4 | 179.6° | 180.0° |
| C10 | N11 | C13 | H5 | 69.6° | 30.0° |
| C10 | N11 | C13 | H6 | 173.1° | 149.9° |
| C12 | N11 | C10 | C8 | 0.4° | 0.0° |
| N11 | C12 | C9 | H4 | 180.0° | 179.9° |
| N11 | C12 | C9 | C8 | 0.3° | 0.0° |
| N11 | C12 | C9 | C4 | 179.6° | 179.9° |
| C12 | N11 | C10 | H3 | 179.5° | 179.5° |
| C12 | N11 | C13 | H5 | 112.0° | 150.0° |
| C12 | N11 | C13 | H6 | 5.3° | 30.1° |
| C10 | C8 | C9 | C12 | 0.0° | 0.0° |
| C10 | C8 | C7 | C9 | 179.6° | 179.5° |
| C10 | C8 | C7 | C6 | 179.8° | 179.9° |
| C10 | C8 | C9 | C4 | 179.9° | 179.9° |
| C10 | C8 | C7 | H2 | 0.2° | 0.3° |
| C12 | C9 | C8 | C7 | 179.7° | 179.6° |
| C12 | C9 | C8 | C4 | 179.9° | 180.0° |
| C12 | C9 | C4 | C3 | 179.8° | 180.0° |
| C12 | C9 | C4 | O5 | 0.5° | 0.2° |
| C8 | C7 | C6 | H2 | 180.0° | 179.6° |
| C7 | C8 | C9 | C4 | 0.2° | 0.4° |
| C8 | C7 | C6 | C3 | 0.0° | 0.4° |
| C8 | C7 | C6 | H1 | 180.0° | 179.6° |
| C7 | C8 | C10 | H3 | 0.6° | 0.1° |
| C9 | C8 | C7 | C6 | 0.2° | 0.6° |
| C8 | C9 | C4 | C3 | 0.0° | 0.0° |
| C8 | C9 | C4 | O5 | 179.6° | 179.7° |
| C9 | C8 | C7 | H2 | 179.9° | 179.8° |
| C9 | C8 | C10 | H3 | 179.7° | 179.5° |
| C8 | C9 | C12 | H4 | 179.7° | 180.0° |
| C7 | C6 | C3 | H1 | 180.0° | 180.0° |
| C7 | C6 | C3 | C4 | 0.1° | 0.0° |
| C7 | C6 | C3 | C2 | 179.4° | 180.0° |
| C9 | C4 | C3 | C6 | 0.1° | 0.2° |
| C9 | C4 | C3 | O5 | 179.7° | 179.8° |
| C9 | C4 | C3 | C2 | 179.5° | 179.8° |
| C9 | C4 | O5 | N1 | 179.8° | 179.7° |
| C4 | C9 | C12 | H4 | 0.4° | 0.0° |
| C6 | C3 | C4 | C2 | 179.6° | 180.0° |
| C6 | C3 | C4 | O5 | 179.8° | 180.0° |
| C6 | C3 | C2 | N1 | 180.0° | 180.0° |
| C3 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C3 | C2 | H10 | 0.0° | 0.0° |
| C3 | C4 | O5 | N1 | 0.1° | 0.1° |
| C4 | C3 | C2 | N1 | 0.5° | 0.0° |
| C4 | C3 | C6 | H1 | 179.9° | 180.0° |
| C4 | C3 | C2 | H10 | 179.5° | 180.0° |
| O5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | O5 | N1 | C2 | 0.4° | 0.1° |
| C3 | C2 | N1 | O5 | 0.6° | 0.0° |
| C3 | C2 | N1 | H10 | 180.0° | 180.0° |
| C2 | C3 | C6 | H1 | 0.6° | 0.1° |
| O5 | N1 | C2 | H10 | 179.4° | 180.0° |
| H1 | C6 | C7 | H2 | 0.0° | 0.0° |
| H11 | C22 | H12 | H13 | 120.0° | 120.0° |
| H14 | C23 | H15 | H16 | 120.0° | 119.9° |
