L0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.36Å | |
| C22 | N21 | sing | 1.40Å | 1.41Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.47Å | |
| N17 | C16 | sing | 1.39Å | 1.39Å | |
| N17 | C18 | sing | 1.35Å | 1.34Å | |
| C20 | N21 | sing | 1.46Å | 1.47Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| C9 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.34Å | 1.34Å | Aromatic |
| O28 | C29 | sing | 1.36Å | 1.36Å | |
| N21 | C34 | sing | 1.41Å | 1.41Å | |
| C16 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| N8 | C7 | doub | 1.32Å | 1.31Å | Aromatic |
| N6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C30 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.1° | 120.1° |
| C24 | C25 | C26 | 120.2° | 120.3° |
| C25 | C24 | H10 | 120.0° | 119.9° |
| C24 | C25 | H20 | 119.9° | 119.9° |
| C24 | C23 | C22 | 120.3° | 119.8° |
| C24 | C23 | H9 | 119.8° | 120.1° |
| C23 | C24 | H10 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C26 | C25 | H20 | 119.9° | 119.8° |
| C25 | C26 | H21 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.1° |
| C12 | C13 | C14 | 120.5° | 120.3° |
| C13 | C12 | H7 | 119.9° | 120.0° |
| C12 | C13 | H15 | 119.8° | 119.9° |
| C12 | C11 | C10 | 119.9° | 119.9° |
| C12 | C11 | H6 | 120.1° | 120.1° |
| C11 | C12 | H7 | 119.9° | 119.9° |
| C26 | C27 | C22 | 119.7° | 119.5° |
| C26 | C27 | O28 | 119.4° | 120.0° |
| C27 | C26 | H21 | 120.0° | 120.0° |
| C23 | C22 | C27 | 119.7° | 120.3° |
| C23 | C22 | N21 | 121.4° | 120.5° |
| C22 | C23 | H9 | 119.9° | 120.1° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C14 | C13 | H15 | 119.8° | 119.9° |
| C13 | C14 | H16 | 120.2° | 119.9° |
| C11 | C10 | C15 | 119.5° | 119.7° |
| C11 | C10 | C9 | 120.6° | 120.1° |
| C10 | C11 | H6 | 120.0° | 120.1° |
| C22 | C27 | O28 | 120.8° | 120.5° |
| C27 | C22 | N21 | 118.9° | 119.2° |
| C27 | O28 | C29 | 119.9° | 119.6° |
| C22 | N21 | C20 | 120.3° | 121.2° |
| C22 | N21 | C34 | 118.1° | 117.7° |
| C14 | C15 | C10 | 120.2° | 119.9° |
| C14 | C15 | H8 | 119.9° | 120.0° |
| C15 | C14 | H16 | 120.1° | 120.0° |
| C15 | C10 | C9 | 119.9° | 120.2° |
| C10 | C15 | H8 | 119.9° | 120.0° |
| C10 | C9 | C16 | 128.6° | 126.0° |
| C10 | C9 | N8 | 124.0° | 126.0° |
| C16 | N17 | C18 | 124.7° | 120.0° |
| N17 | C16 | C9 | 131.1° | 126.6° |
| N17 | C16 | N6 | 122.1° | 126.6° |
| C16 | N17 | H17 | 117.7° | 120.0° |
| N17 | C18 | C20 | 115.7° | 120.1° |
| N17 | C18 | O19 | 122.4° | 120.0° |
| C18 | N17 | H17 | 117.6° | 119.9° |
| N21 | C20 | C18 | 115.2° | 109.5° |
| C20 | N21 | C34 | 121.1° | 121.1° |
| N21 | C20 | H18 | 108.0° | 109.5° |
| N21 | C20 | H19 | 108.0° | 109.5° |
| C20 | C18 | O19 | 121.9° | 120.0° |
| C18 | C20 | H18 | 108.0° | 109.5° |
| C18 | C20 | H19 | 108.0° | 109.4° |
| C16 | C9 | N8 | 107.4° | 108.0° |
| C9 | C16 | N6 | 106.8° | 106.8° |
| C9 | N8 | C7 | 110.0° | 109.3° |
| O28 | C29 | C34 | 121.0° | 120.5° |
| O28 | C29 | C30 | 119.4° | 120.0° |
| N21 | C34 | C29 | 118.9° | 119.2° |
| N21 | C34 | C33 | 121.7° | 120.5° |
| C16 | N6 | C7 | 107.5° | 107.4° |
| C16 | N6 | C5 | 132.3° | 133.5° |
| N8 | C7 | N6 | 108.3° | 108.5° |
| N8 | C7 | C2 | 133.7° | 132.9° |
| C7 | N6 | C5 | 120.2° | 119.1° |
| N6 | C7 | C2 | 118.0° | 118.6° |
| N6 | C5 | C4 | 119.2° | 119.8° |
| N6 | C5 | H5 | 120.5° | 120.1° |
| C7 | C2 | C1 | 120.5° | 120.1° |
| C7 | C2 | N3 | 119.6° | 119.8° |
| C34 | C29 | C30 | 119.7° | 119.5° |
| C29 | C34 | C33 | 119.3° | 120.3° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C29 | C30 | H11 | 119.9° | 120.0° |
| C5 | C4 | N3 | 121.3° | 121.3° |
| C5 | C4 | H4 | 119.3° | 119.4° |
| C4 | C5 | H5 | 120.4° | 120.1° |
| C34 | C33 | C32 | 120.6° | 119.8° |
| C34 | C33 | H14 | 119.7° | 120.1° |
| C1 | C2 | N3 | 119.8° | 120.1° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | N3 | C4 | 121.7° | 121.4° |
| N3 | C4 | H4 | 119.3° | 119.3° |
| C30 | C31 | C32 | 120.3° | 120.3° |
| C31 | C30 | H11 | 119.8° | 120.0° |
| C30 | C31 | H12 | 119.9° | 119.8° |
| C33 | C32 | C31 | 119.8° | 120.0° |
| C33 | C32 | H13 | 120.1° | 120.0° |
| C32 | C33 | H14 | 119.7° | 120.1° |
| C32 | C31 | H12 | 119.8° | 119.8° |
| C31 | C32 | H13 | 120.1° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H10 | 180.0° | 179.9° |
| C24 | C25 | C26 | H20 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.4° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | H9 | 179.9° | 179.7° |
| C24 | C25 | C26 | H21 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.8° | 0.2° |
| C24 | C23 | C22 | H9 | 180.0° | 179.7° |
| C24 | C23 | C22 | C27 | 0.8° | 0.2° |
| C24 | C23 | C22 | N21 | 178.4° | 179.9° |
| C23 | C24 | C25 | H20 | 179.3° | 180.0° |
| C25 | C26 | C27 | H21 | 180.0° | 179.6° |
| C25 | C26 | C27 | C22 | 0.5° | 0.6° |
| C25 | C26 | C27 | O28 | 180.0° | 179.9° |
| C26 | C25 | C24 | H10 | 179.2° | 179.9° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.2° | 0.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C12 | C11 | H6 | 178.8° | 179.8° |
| C12 | C13 | C14 | H16 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | H6 | 180.0° | 179.8° |
| C12 | C11 | C10 | C15 | 1.7° | 0.3° |
| C12 | C11 | C10 | C9 | 179.8° | 179.7° |
| C11 | C12 | C13 | H15 | 179.9° | 180.0° |
| C26 | C27 | C22 | C23 | 1.1° | 0.4° |
| C26 | C27 | C22 | O28 | 179.5° | 179.3° |
| C26 | C27 | C22 | N21 | 178.8° | 179.8° |
| C26 | C27 | O28 | C29 | 168.5° | 165.4° |
| C27 | C26 | C25 | H20 | 179.6° | 179.7° |
| C23 | C22 | C27 | N21 | 177.7° | 179.8° |
| C23 | C22 | C27 | O28 | 179.4° | 179.7° |
| C23 | C22 | N21 | C20 | 19.7° | 14.1° |
| C23 | C22 | N21 | C34 | 168.3° | 165.8° |
| C22 | C23 | C24 | H10 | 179.8° | 179.9° |
| C13 | C14 | C15 | H16 | 180.0° | 179.8° |
| C13 | C14 | C15 | C10 | 0.0° | 0.5° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 1.1° | 0.5° |
| C11 | C10 | C15 | C9 | 178.1° | 180.0° |
| C11 | C10 | C9 | C16 | 31.4° | 145.0° |
| C11 | C10 | C9 | N8 | 148.9° | 35.1° |
| C10 | C11 | C12 | H7 | 178.8° | 180.0° |
| C11 | C10 | C15 | H8 | 178.9° | 180.0° |
| C27 | C22 | N21 | C20 | 158.0° | 166.1° |
| C22 | C27 | O28 | C29 | 11.0° | 15.3° |
| C27 | C22 | N21 | C34 | 14.1° | 13.9° |
| C27 | C22 | C23 | H9 | 179.2° | 179.9° |
| C22 | C27 | C26 | H21 | 179.5° | 179.9° |
| O28 | C27 | C22 | N21 | 1.7° | 0.5° |
| C27 | O28 | C29 | C34 | 11.0° | 15.2° |
| C27 | O28 | C29 | C30 | 168.5° | 164.9° |
| O28 | C27 | C26 | H21 | 0.0° | 0.6° |
| C22 | N21 | C20 | C34 | 171.8° | 179.9° |
| C22 | N21 | C20 | C18 | 92.4° | 90.0° |
| C22 | N21 | C34 | C29 | 14.1° | 14.0° |
| C22 | N21 | C34 | C33 | 168.3° | 165.9° |
| N21 | C22 | C23 | H9 | 1.6° | 0.4° |
| C22 | N21 | C20 | H18 | 28.4° | 150.0° |
| C22 | N21 | C20 | H19 | 146.7° | 30.0° |
| C14 | C15 | C10 | H8 | 180.0° | 179.4° |
| C14 | C15 | C10 | C9 | 179.3° | 179.5° |
| C15 | C14 | C13 | H15 | 179.5° | 179.8° |
| C15 | C10 | C9 | C16 | 150.5° | 35.0° |
| C15 | C10 | C9 | N8 | 29.2° | 144.9° |
| C15 | C10 | C11 | H6 | 178.3° | 180.0° |
| C10 | C15 | C14 | H16 | 180.0° | 179.7° |
| C10 | C9 | C16 | N17 | 0.7° | 0.1° |
| C10 | C9 | C16 | N8 | 179.7° | 179.9° |
| C10 | C9 | C16 | N6 | 179.4° | 179.9° |
| C10 | C9 | N8 | C7 | 179.5° | 179.9° |
| C9 | C10 | C11 | H6 | 0.2° | 0.0° |
| C9 | C10 | C15 | H8 | 0.8° | 0.0° |
| C16 | N17 | C18 | H17 | 180.0° | 179.9° |
| C16 | N17 | C18 | C20 | 178.1° | 175.1° |
| N17 | C16 | C9 | N6 | 178.8° | 180.0° |
| N17 | C16 | C9 | N8 | 179.6° | 180.0° |
| C16 | N17 | C18 | O19 | 0.9° | 5.0° |
| N17 | C16 | N6 | C7 | 179.5° | 180.0° |
| N17 | C16 | N6 | C5 | 0.9° | 0.0° |
| N17 | C18 | C20 | N21 | 155.4° | 180.0° |
| N17 | C18 | C20 | O19 | 179.0° | 179.9° |
| C18 | N17 | C16 | C9 | 71.7° | 112.5° |
| C18 | N17 | C16 | N6 | 109.7° | 67.5° |
| N17 | C18 | C20 | H18 | 34.6° | 60.0° |
| N17 | C18 | C20 | H19 | 83.7° | 60.0° |
| N21 | C20 | C18 | H18 | 120.8° | 120.0° |
| N21 | C20 | C18 | H19 | 120.8° | 120.0° |
| N21 | C20 | C18 | O19 | 25.6° | 0.1° |
| C20 | N21 | C34 | C29 | 157.9° | 166.1° |
| C20 | N21 | C34 | C33 | 19.7° | 14.0° |
| N21 | C20 | H18 | H19 | 117.4° | 120.0° |
| C18 | C20 | N21 | C34 | 95.8° | 90.1° |
| C20 | C18 | N17 | H17 | 1.9° | 4.9° |
| C18 | C20 | H18 | H19 | 117.4° | 120.0° |
| C16 | C9 | N8 | C7 | 0.8° | 0.0° |
| C9 | C16 | N6 | C7 | 0.6° | 0.0° |
| C9 | C16 | N6 | C5 | 179.8° | 180.0° |
| C9 | C16 | N17 | H17 | 108.3° | 67.4° |
| N8 | C9 | C16 | N6 | 0.9° | 0.0° |
| C9 | N8 | C7 | N6 | 0.4° | 0.0° |
| C9 | N8 | C7 | C2 | 179.6° | 180.0° |
| O28 | C29 | C34 | N21 | 1.7° | 0.4° |
| O28 | C29 | C34 | C30 | 179.5° | 179.9° |
| O28 | C29 | C34 | C33 | 179.4° | 179.7° |
| O28 | C29 | C30 | C31 | 179.4° | 179.8° |
| O28 | C29 | C30 | H11 | 0.7° | 0.2° |
| N21 | C34 | C29 | C33 | 177.7° | 179.9° |
| N21 | C34 | C29 | C30 | 178.8° | 179.7° |
| N21 | C34 | C33 | C32 | 178.0° | 179.8° |
| N21 | C34 | C33 | H14 | 2.1° | 0.2° |
| C34 | N21 | C20 | H18 | 143.4° | 29.9° |
| C34 | N21 | C20 | H19 | 25.1° | 150.0° |
| C16 | N6 | C7 | N8 | 0.2° | 0.0° |
| C16 | N6 | C7 | C5 | 179.6° | 180.0° |
| C16 | N6 | C7 | C2 | 179.9° | 180.0° |
| C16 | N6 | C5 | C4 | 180.0° | 179.8° |
| C16 | N6 | C5 | H5 | 0.0° | 0.1° |
| N6 | C16 | N17 | H17 | 70.3° | 112.6° |
| O19 | C18 | N17 | H17 | 179.1° | 175.1° |
| O19 | C18 | C20 | H18 | 146.4° | 120.0° |
| O19 | C18 | C20 | H19 | 95.2° | 120.0° |
| N8 | C7 | N6 | C2 | 179.9° | 180.0° |
| N8 | C7 | N6 | C5 | 179.8° | 180.0° |
| N8 | C7 | C2 | C1 | 0.1° | 0.0° |
| N8 | C7 | C2 | N3 | 179.8° | 179.8° |
| C7 | N6 | C5 | C4 | 0.6° | 0.3° |
| N6 | C7 | C2 | C1 | 179.9° | 180.0° |
| N6 | C7 | C2 | N3 | 0.1° | 0.2° |
| C7 | N6 | C5 | H5 | 179.4° | 179.9° |
| C5 | N6 | C7 | C2 | 0.3° | 0.0° |
| N6 | C5 | C4 | H5 | 180.0° | 179.7° |
| N6 | C5 | C4 | N3 | 0.5° | 0.3° |
| N6 | C5 | C4 | H4 | 179.5° | 179.7° |
| C7 | C2 | C1 | N3 | 179.8° | 179.8° |
| C7 | C2 | N3 | C4 | 0.2° | 0.2° |
| C7 | C2 | C1 | H1 | 179.8° | 179.7° |
| C7 | C2 | C1 | H2 | 60.2° | 59.7° |
| C7 | C2 | C1 | H3 | 59.8° | 60.3° |
| C34 | C29 | C30 | C31 | 1.1° | 0.1° |
| C29 | C34 | C33 | C32 | 0.4° | 0.1° |
| C34 | C29 | C30 | H11 | 178.9° | 179.8° |
| C29 | C34 | C33 | H14 | 179.7° | 179.9° |
| C30 | C29 | C34 | C33 | 1.1° | 0.2° |
| C29 | C30 | C31 | H11 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| C29 | C30 | C31 | H12 | 179.6° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C5 | C4 | N3 | H4 | 180.0° | 180.0° |
| C34 | C33 | C32 | H14 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.4° | 0.0° |
| C34 | C33 | C32 | H13 | 179.6° | 180.0° |
| C1 | C2 | N3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N3 | C2 | C1 | H1 | 0.0° | 0.0° |
| N3 | C2 | C1 | H2 | 120.0° | 120.0° |
| N3 | C2 | C1 | H3 | 120.0° | 120.0° |
| C2 | N3 | C4 | H4 | 179.8° | 180.0° |
| N3 | C4 | C5 | H5 | 179.5° | 179.9° |
| C30 | C31 | C32 | C33 | 0.4° | 0.0° |
| C30 | C31 | C32 | H12 | 180.0° | 180.0° |
| C30 | C31 | C32 | H13 | 179.6° | 180.0° |
| C33 | C32 | C31 | H13 | 180.0° | 180.0° |
| C33 | C32 | C31 | H12 | 179.6° | 179.9° |
| C32 | C31 | C30 | H11 | 179.6° | 180.0° |
| C31 | C32 | C33 | H14 | 179.6° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.5° | 0.0° |
| H6 | C11 | C12 | H7 | 1.2° | 0.2° |
| H7 | C12 | C13 | H15 | 0.1° | 0.0° |
| H8 | C15 | C14 | H16 | 0.0° | 0.3° |
| H9 | C23 | C24 | H10 | 0.1° | 0.4° |
| H10 | C24 | C25 | H20 | 0.8° | 0.1° |
| H11 | C30 | C31 | H12 | 0.4° | 0.0° |
| H12 | C31 | C32 | H13 | 0.4° | 0.1° |
| H13 | C32 | C33 | H14 | 0.4° | 0.0° |
| H15 | C13 | C14 | H16 | 0.5° | 0.0° |
| H20 | C25 | C26 | H21 | 0.4° | 0.2° |
