LUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | C27 | sing | 1.36Å | 1.36Å | |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.36Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O22 | C21 | doub | 1.21Å | 1.23Å | |
| N23 | C21 | sing | 1.35Å | 1.43Å | |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | CL1 | sing | 1.51Å | 1.39Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.46Å | 1.44Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.40Å | 1.33Å | |
| N18 | C14 | sing | 1.37Å | 1.36Å | |
| N13 | C14 | doub | 1.31Å | 1.34Å | |
| N13 | C11 | sing | 1.34Å | 1.34Å | |
| C14 | N15 | sing | 1.36Å | 1.34Å | |
| N8 | C11 | sing | 1.36Å | 1.33Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 1.14Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.33Å | Aromatic |
| N9 | C10 | doub | 1.30Å | 1.33Å | Aromatic |
| N15 | C16 | sing | 1.35Å | 1.34Å | |
| C12 | C16 | sing | 1.42Å | 1.33Å | |
| C12 | C10 | sing | 1.41Å | 1.33Å | Aromatic |
| C16 | O17 | doub | 1.22Å | 1.36Å | |
| CL1 | H1 | sing | 1.09Å | 1.10Å | |
| CL1 | H2 | sing | 1.09Å | 1.10Å | |
| CL1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C27 | 110.7° | 117.0° |
| O30 | C31 | H18 | 109.5° | 109.5° |
| O30 | C31 | H19 | 109.5° | 109.5° |
| O30 | C31 | H20 | 109.4° | 109.5° |
| O30 | C27 | C26 | 121.1° | 119.9° |
| O30 | C27 | C28 | 119.2° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.1° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C27 | C26 | H21 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.0° |
| C27 | C28 | H17 | 120.2° | 120.0° |
| C26 | C25 | C24 | 120.1° | 120.0° |
| C25 | C26 | H21 | 119.8° | 120.0° |
| C26 | C25 | H22 | 120.0° | 120.0° |
| C28 | C29 | C24 | 120.9° | 120.0° |
| C28 | C29 | H16 | 119.6° | 120.0° |
| C29 | C28 | H17 | 120.1° | 120.0° |
| C25 | C24 | C29 | 119.2° | 120.0° |
| C25 | C24 | N23 | 123.1° | 120.0° |
| C24 | C25 | H22 | 119.9° | 120.0° |
| C29 | C24 | N23 | 117.7° | 120.0° |
| C24 | C29 | H16 | 119.5° | 120.1° |
| C24 | N23 | C21 | 114.8° | 120.0° |
| C24 | N23 | H15 | 122.6° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.2° |
| C4 | C3 | C2 | 120.0° | 120.1° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | 120.1° | 119.9° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H5 | 120.1° | 119.9° |
| C4 | C5 | H6 | 119.9° | 120.0° |
| C3 | C2 | CL1 | 119.8° | 120.0° |
| C3 | C2 | C7 | 120.1° | 119.9° |
| C2 | C3 | H4 | 120.0° | 119.9° |
| O22 | C21 | N23 | 124.9° | 120.0° |
| O22 | C21 | C19 | 121.2° | 120.0° |
| N23 | C21 | C19 | 113.8° | 120.0° |
| C21 | N23 | H15 | 122.6° | 120.0° |
| C21 | C19 | C20 | 109.3° | 109.5° |
| C21 | C19 | N18 | 111.5° | 109.5° |
| C21 | C19 | H11 | 108.8° | 109.4° |
| C5 | C6 | C7 | 119.9° | 119.9° |
| C6 | C5 | H6 | 119.9° | 120.0° |
| C5 | C6 | H7 | 120.1° | 120.0° |
| C20 | C19 | N18 | 108.5° | 109.5° |
| C20 | C19 | H11 | 108.8° | 109.5° |
| C19 | C20 | H12 | 109.5° | 109.5° |
| C19 | C20 | H13 | 109.5° | 109.5° |
| C19 | C20 | H14 | 109.4° | 109.4° |
| CL1 | C2 | C7 | 120.1° | 120.1° |
| C2 | CL1 | H1 | 109.5° | 109.4° |
| C2 | CL1 | H2 | 109.5° | 109.5° |
| C2 | CL1 | H3 | 109.5° | 109.5° |
| C2 | C7 | C6 | 119.9° | 119.9° |
| C2 | C7 | N8 | 119.8° | 120.1° |
| C19 | N18 | C14 | 112.4° | 120.0° |
| C19 | N18 | H10 | 123.8° | 120.0° |
| N18 | C19 | H11 | 110.0° | 109.5° |
| C6 | C7 | N8 | 120.3° | 120.0° |
| C7 | C6 | H7 | 120.0° | 120.1° |
| C7 | N8 | C11 | 122.6° | 125.9° |
| C7 | N8 | N9 | 126.8° | 125.9° |
| N18 | C14 | N13 | 119.3° | 118.9° |
| N18 | C14 | N15 | 120.7° | 119.0° |
| C14 | N18 | H10 | 123.8° | 120.0° |
| C14 | N13 | C11 | 120.0° | 121.2° |
| N13 | C14 | N15 | 119.5° | 122.1° |
| N13 | C11 | N8 | 132.5° | 133.9° |
| N13 | C11 | C12 | 120.5° | 119.5° |
| C14 | N15 | C16 | 119.7° | 120.3° |
| C14 | N15 | H9 | 120.2° | 119.8° |
| C11 | N8 | N9 | 110.6° | 108.2° |
| N8 | C11 | C12 | 107.1° | 106.6° |
| N8 | N9 | C10 | 111.8° | 109.5° |
| C11 | C12 | C16 | 119.7° | 118.7° |
| C11 | C12 | C10 | 104.4° | 107.2° |
| N9 | C10 | C12 | 106.2° | 108.5° |
| N9 | C10 | H8 | 126.9° | 125.7° |
| N15 | C16 | C12 | 120.6° | 118.3° |
| N15 | C16 | O17 | 122.4° | 120.9° |
| C16 | N15 | H9 | 120.1° | 119.8° |
| C16 | C12 | C10 | 135.9° | 134.2° |
| C12 | C16 | O17 | 117.0° | 120.9° |
| C12 | C10 | H8 | 126.9° | 125.8° |
| H1 | CL1 | H2 | 109.4° | 109.5° |
| H1 | CL1 | H3 | 109.5° | 109.4° |
| H2 | CL1 | H3 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.4° | 109.5° |
| H12 | C20 | H14 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.4° |
| H18 | C31 | H20 | 109.5° | 109.4° |
| H19 | C31 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C27 | C26 | 71.6° | 180.0° |
| C31 | O30 | C27 | C28 | 109.5° | 0.2° |
| O30 | C31 | H18 | H19 | 120.0° | 120.0° |
| O30 | C31 | H18 | H20 | 120.0° | 120.0° |
| O30 | C31 | H19 | H20 | 120.0° | 120.1° |
| O30 | C27 | C26 | C28 | 178.9° | 179.8° |
| O30 | C27 | C26 | C25 | 179.0° | 180.0° |
| O30 | C27 | C28 | C29 | 179.0° | 179.7° |
| O30 | C27 | C28 | H17 | 1.0° | 0.2° |
| C27 | O30 | C31 | H18 | 180.0° | 60.0° |
| C27 | O30 | C31 | H19 | 60.0° | 60.0° |
| C27 | O30 | C31 | H20 | 60.0° | 180.0° |
| O30 | C27 | C26 | H21 | 1.0° | 0.2° |
| C27 | C26 | C25 | H21 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.6° |
| C26 | C27 | C28 | H17 | 179.9° | 180.0° |
| C27 | C26 | C25 | H22 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C29 | H17 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 0.1° | 0.1° |
| C27 | C28 | C29 | H16 | 179.9° | 180.0° |
| C28 | C27 | C26 | H21 | 179.9° | 180.0° |
| C26 | C25 | C24 | H22 | 180.0° | 179.4° |
| C26 | C25 | C24 | C29 | 0.1° | 0.6° |
| C26 | C25 | C24 | N23 | 180.0° | 179.8° |
| C28 | C29 | C24 | C25 | 0.1° | 0.2° |
| C28 | C29 | C24 | H16 | 180.0° | 180.0° |
| C28 | C29 | C24 | N23 | 180.0° | 179.9° |
| C25 | C24 | C29 | N23 | 179.9° | 179.7° |
| C25 | C24 | N23 | C21 | 4.6° | 147.1° |
| C25 | C24 | N23 | H15 | 175.4° | 32.8° |
| C25 | C24 | C29 | H16 | 179.9° | 179.7° |
| C24 | C25 | C26 | H21 | 179.9° | 179.7° |
| C29 | C24 | N23 | C21 | 175.5° | 33.2° |
| C29 | C24 | N23 | H15 | 4.5° | 146.9° |
| C24 | C29 | C28 | H17 | 179.9° | 180.0° |
| C29 | C24 | C25 | H22 | 179.9° | 180.0° |
| C24 | N23 | C21 | O22 | 9.0° | 5.0° |
| C24 | N23 | C21 | H15 | 180.0° | 179.9° |
| C24 | N23 | C21 | C19 | 170.5° | 174.9° |
| N23 | C24 | C29 | H16 | 0.0° | 0.0° |
| N23 | C24 | C25 | H22 | 0.0° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C4 | C3 | C2 | CL1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.2° |
| C3 | C4 | C5 | H6 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.2° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C4 | C5 | C6 | H7 | 179.5° | 179.9° |
| C3 | C2 | CL1 | C7 | 179.6° | 179.8° |
| C3 | C2 | C7 | C6 | 0.6° | 0.5° |
| C3 | C2 | C7 | N8 | 179.3° | 179.7° |
| C3 | C2 | CL1 | H1 | 90.2° | 95.1° |
| C3 | C2 | CL1 | H2 | 149.8° | 25.0° |
| C3 | C2 | CL1 | H3 | 29.8° | 145.0° |
| C2 | C3 | C4 | H5 | 179.8° | 179.9° |
| O22 | C21 | N23 | C19 | 179.5° | 180.0° |
| O22 | C21 | C19 | C20 | 85.4° | 120.1° |
| O22 | C21 | C19 | N18 | 34.6° | 0.0° |
| O22 | C21 | C19 | H11 | 156.0° | 120.0° |
| O22 | C21 | N23 | H15 | 171.0° | 174.9° |
| N23 | C21 | C19 | C20 | 94.2° | 60.0° |
| N23 | C21 | C19 | N18 | 145.9° | 180.0° |
| N23 | C21 | C19 | H11 | 24.4° | 60.0° |
| C21 | C19 | C20 | N18 | 121.8° | 120.0° |
| C21 | C19 | C20 | H11 | 118.6° | 119.9° |
| C21 | C19 | N18 | H11 | 120.8° | 120.0° |
| C21 | C19 | N18 | C14 | 68.6° | 155.0° |
| C21 | C19 | N18 | H10 | 111.4° | 24.9° |
| C21 | C19 | C20 | H12 | 180.0° | 59.9° |
| C21 | C19 | C20 | H13 | 60.0° | 180.0° |
| C21 | C19 | C20 | H14 | 60.0° | 60.0° |
| C19 | C21 | N23 | H15 | 9.5° | 5.2° |
| C5 | C6 | C7 | C2 | 0.1° | 0.5° |
| C5 | C6 | C7 | H7 | 180.0° | 179.7° |
| C5 | C6 | C7 | N8 | 179.8° | 179.7° |
| C6 | C5 | C4 | H5 | 179.3° | 179.9° |
| C20 | C19 | N18 | H11 | 118.9° | 120.0° |
| C20 | C19 | N18 | C14 | 171.0° | 85.0° |
| C20 | C19 | N18 | H10 | 9.0° | 95.1° |
| C19 | C20 | H12 | H13 | 120.0° | 120.1° |
| C19 | C20 | H12 | H14 | 120.0° | 120.0° |
| C19 | C20 | H13 | H14 | 120.0° | 120.0° |
| CL1 | C2 | C7 | C6 | 179.8° | 179.7° |
| CL1 | C2 | C7 | N8 | 0.3° | 0.1° |
| C2 | CL1 | H1 | H2 | 120.0° | 120.0° |
| C2 | CL1 | H1 | H3 | 120.0° | 120.0° |
| C2 | CL1 | H2 | H3 | 120.0° | 120.0° |
| CL1 | C2 | C3 | H4 | 0.0° | 0.0° |
| C2 | C7 | C6 | N8 | 179.9° | 179.8° |
| C2 | C7 | N8 | C11 | 66.0° | 132.7° |
| C2 | C7 | N8 | N9 | 115.3° | 47.5° |
| C7 | C2 | CL1 | H1 | 90.2° | 84.7° |
| C7 | C2 | CL1 | H2 | 29.8° | 155.2° |
| C7 | C2 | CL1 | H3 | 149.8° | 35.2° |
| C7 | C2 | C3 | H4 | 179.6° | 179.8° |
| C2 | C7 | C6 | H7 | 179.9° | 179.8° |
| C19 | N18 | C14 | H10 | 180.0° | 180.0° |
| C19 | N18 | C14 | N13 | 86.0° | 0.0° |
| C19 | N18 | C14 | N15 | 102.2° | 180.0° |
| N18 | C19 | C20 | H12 | 58.2° | 180.0° |
| N18 | C19 | C20 | H13 | 61.7° | 60.0° |
| N18 | C19 | C20 | H14 | 178.2° | 60.0° |
| C6 | C7 | N8 | C11 | 113.9° | 47.1° |
| C6 | C7 | N8 | N9 | 64.8° | 132.7° |
| C7 | C6 | C5 | H6 | 179.5° | 179.7° |
| C7 | N8 | C11 | N13 | 1.3° | 0.1° |
| C7 | N8 | C11 | N9 | 178.9° | 179.8° |
| C7 | N8 | C11 | C12 | 179.0° | 180.0° |
| C7 | N8 | N9 | C10 | 178.7° | 180.0° |
| N8 | C7 | C6 | H7 | 0.2° | 0.0° |
| N18 | C14 | N13 | N15 | 171.9° | 179.9° |
| N18 | C14 | N13 | C11 | 170.5° | 180.0° |
| N18 | C14 | N15 | C16 | 170.2° | 180.0° |
| N18 | C14 | N15 | H9 | 9.7° | 0.0° |
| C14 | N18 | C19 | H11 | 52.2° | 35.0° |
| C14 | N13 | C11 | N8 | 179.9° | 179.9° |
| C14 | N13 | C11 | C12 | 0.4° | 0.0° |
| N13 | C14 | N15 | C16 | 1.5° | 0.0° |
| N13 | C14 | N15 | H9 | 178.5° | 179.9° |
| N13 | C14 | N18 | H10 | 94.0° | 179.9° |
| C11 | N13 | C14 | N15 | 1.3° | 0.0° |
| N13 | C11 | N8 | C12 | 179.7° | 180.0° |
| N13 | C11 | N8 | N9 | 179.8° | 179.7° |
| N13 | C11 | C12 | C16 | 0.4° | 0.0° |
| N13 | C11 | C12 | C10 | 179.9° | 179.8° |
| C14 | N15 | C16 | H9 | 180.0° | 179.9° |
| C14 | N15 | C16 | C12 | 0.7° | 0.0° |
| C14 | N15 | C16 | O17 | 176.5° | 180.0° |
| N15 | C14 | N18 | H10 | 77.8° | 0.0° |
| C11 | N8 | N9 | C10 | 0.2° | 0.2° |
| N8 | C11 | C12 | C16 | 179.4° | 180.0° |
| N8 | C11 | C12 | C10 | 0.3° | 0.2° |
| N9 | N8 | C11 | C12 | 0.1° | 0.2° |
| N8 | N9 | C10 | C12 | 0.4° | 0.1° |
| N8 | N9 | C10 | H8 | 179.6° | 180.0° |
| C11 | C12 | C10 | N9 | 0.4° | 0.1° |
| C11 | C12 | C16 | N15 | 0.2° | 0.0° |
| C11 | C12 | C16 | C10 | 179.5° | 179.7° |
| C11 | C12 | C16 | O17 | 177.6° | 180.0° |
| C11 | C12 | C10 | H8 | 179.6° | 179.9° |
| N9 | C10 | C12 | C16 | 179.2° | 179.8° |
| N9 | C10 | C12 | H8 | 180.0° | 179.9° |
| N15 | C16 | C12 | O17 | 177.3° | 180.0° |
| N15 | C16 | C12 | C10 | 179.8° | 179.7° |
| C16 | C12 | C10 | H8 | 0.8° | 0.1° |
| C12 | C16 | N15 | H9 | 179.3° | 179.9° |
| C10 | C12 | C16 | O17 | 2.9° | 0.3° |
| O17 | C16 | N15 | H9 | 3.5° | 0.0° |
| H1 | CL1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.2° | 0.1° |
| H5 | C4 | C5 | H6 | 0.6° | 0.1° |
| H6 | C5 | C6 | H7 | 0.5° | 0.0° |
| H10 | N18 | C19 | H11 | 127.8° | 144.9° |
| H11 | C19 | C20 | H12 | 61.4° | 60.0° |
| H11 | C19 | C20 | H13 | 178.6° | 60.1° |
| H11 | C19 | C20 | H14 | 58.6° | 180.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H16 | C29 | C28 | H17 | 0.1° | 0.0° |
| H18 | C31 | H19 | H20 | 120.0° | 120.0° |
| H21 | C26 | C25 | H22 | 0.1° | 0.2° |
