LZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | N24 | sing | 1.49Å | 1.49Å | |
| C25 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | N6 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N6 | C7 | sing | 1.36Å | 1.36Å | |
| C7 | O8 | doub | 1.24Å | 1.24Å | |
| C7 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | N10 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N10 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| N11 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.39Å | 1.39Å | |
| N14 | C15 | sing | 1.35Å | 1.35Å | |
| C15 | O16 | doub | 1.23Å | 1.23Å | |
| C15 | C17 | sing | 1.49Å | 1.49Å | |
| C17 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | CL7 | sing | 1.72Å | 1.72Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | CL1 | sing | 1.72Å | 1.72Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N24 | C3 | sing | 1.49Å | 1.49Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| N24 | H24 | sing | 1.00Å | 1.00Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| N6 | H6 | sing | 1.00Å | 1.00Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| N11 | H11 | sing | 1.00Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 1.00Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H3C1 | sing | 1.10Å | 1.10Å | |
| C3 | H3C2 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | N24 | 110.8° | 110.8° |
| C26 | C25 | C5 | 110.1° | 110.1° |
| C25 | C26 | H261 | 109.0° | 109.0° |
| C25 | C26 | H262 | 108.7° | 108.7° |
| C26 | C25 | H251 | 109.2° | 109.2° |
| C26 | C25 | H252 | 109.1° | 109.1° |
| C26 | N24 | C3 | 112.5° | 112.5° |
| N24 | C26 | H261 | 109.1° | 109.1° |
| N24 | C26 | H262 | 108.7° | 108.7° |
| C26 | N24 | H24 | 108.5° | 108.5° |
| C25 | C5 | N6 | 111.3° | 111.3° |
| C25 | C5 | C4 | 110.1° | 110.1° |
| C5 | C25 | H251 | 109.3° | 109.3° |
| C5 | C25 | H252 | 109.1° | 109.1° |
| C25 | C5 | H5 | 108.4° | 108.5° |
| N6 | C5 | C4 | 111.4° | 111.4° |
| C5 | N6 | C7 | 122.6° | 122.6° |
| N6 | C5 | H5 | 107.1° | 107.1° |
| C5 | N6 | H6 | 118.7° | 118.7° |
| C5 | C4 | C3 | 110.2° | 110.2° |
| C4 | C5 | H5 | 108.4° | 108.3° |
| C5 | C4 | H4C1 | 109.2° | 109.2° |
| C5 | C4 | H4C2 | 109.1° | 109.1° |
| N6 | C7 | O8 | 123.4° | 123.4° |
| N6 | C7 | C9 | 116.3° | 116.3° |
| C7 | N6 | H6 | 118.7° | 118.7° |
| O8 | C7 | C9 | 120.3° | 120.3° |
| C7 | C9 | N10 | 124.2° | 124.2° |
| C7 | C9 | C13 | 124.9° | 124.9° |
| N10 | C9 | C13 | 110.9° | 110.9° |
| C9 | N10 | N11 | 104.9° | 104.9° |
| C9 | C13 | C12 | 105.8° | 105.8° |
| C9 | C13 | N14 | 123.3° | 123.3° |
| N10 | N11 | C12 | 111.2° | 111.2° |
| N10 | N11 | H11 | 124.4° | 124.4° |
| N11 | C12 | C13 | 107.3° | 107.3° |
| C12 | N11 | H11 | 124.4° | 124.4° |
| N11 | C12 | H12 | 126.3° | 126.3° |
| C12 | C13 | N14 | 130.9° | 130.9° |
| C13 | C12 | H12 | 126.3° | 126.3° |
| C13 | N14 | C15 | 125.1° | 125.1° |
| C13 | N14 | H14 | 117.4° | 117.4° |
| N14 | C15 | O16 | 122.6° | 122.6° |
| N14 | C15 | C17 | 115.7° | 115.7° |
| C15 | N14 | H14 | 117.4° | 117.4° |
| O16 | C15 | C17 | 121.6° | 121.6° |
| C15 | C17 | C18 | 120.5° | 120.5° |
| C15 | C17 | C23 | 121.1° | 121.1° |
| C18 | C17 | C23 | 118.3° | 118.3° |
| C17 | C18 | C20 | 121.2° | 121.2° |
| C17 | C18 | CL7 | 119.2° | 119.2° |
| C17 | C23 | C22 | 121.4° | 121.4° |
| C17 | C23 | CL1 | 119.5° | 119.5° |
| C20 | C18 | CL7 | 119.5° | 119.5° |
| C18 | C20 | C21 | 119.7° | 119.7° |
| C18 | C20 | H20 | 120.2° | 120.2° |
| C20 | C21 | C22 | 119.7° | 119.7° |
| C21 | C20 | H20 | 120.1° | 120.1° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | C23 | 119.7° | 119.7° |
| C22 | C21 | H21 | 120.2° | 120.2° |
| C21 | C22 | H22 | 120.1° | 120.1° |
| C22 | C23 | CL1 | 119.1° | 119.1° |
| C23 | C22 | H22 | 120.2° | 120.2° |
| C4 | C3 | N24 | 110.5° | 110.5° |
| C3 | C4 | H4C1 | 109.2° | 109.2° |
| C3 | C4 | H4C2 | 109.0° | 109.0° |
| C4 | C3 | H3C1 | 109.1° | 109.1° |
| C4 | C3 | H3C2 | 108.9° | 108.9° |
| C3 | N24 | H24 | 108.5° | 108.5° |
| N24 | C3 | H3C1 | 109.1° | 109.1° |
| N24 | C3 | H3C2 | 108.9° | 108.9° |
| H261 | C26 | H262 | 110.5° | 110.5° |
| H251 | C25 | H252 | 110.0° | 110.0° |
| H4C1 | C4 | H4C2 | 110.1° | 110.1° |
| H3C1 | C3 | H3C2 | 110.3° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | N24 | H261 | 120.0° | 120.0° |
| C25 | C26 | N24 | H262 | 119.4° | 119.4° |
| C26 | C25 | C5 | H251 | 120.0° | 120.0° |
| C26 | C25 | C5 | H252 | 119.7° | 119.7° |
| C26 | C25 | C5 | N6 | 179.2° | 179.2° |
| C26 | C25 | C5 | C4 | 56.8° | 56.8° |
| C25 | C26 | N24 | C3 | 57.0° | 57.0° |
| C25 | C26 | H261 | H262 | 119.5° | 119.5° |
| C26 | C25 | H251 | H252 | 119.8° | 119.8° |
| C25 | C26 | N24 | H24 | 63.0° | 63.0° |
| C26 | C25 | C5 | H5 | 61.7° | 61.6° |
| N24 | C26 | C25 | C5 | 56.3° | 56.3° |
| C26 | N24 | C3 | C4 | 57.1° | 57.1° |
| C26 | N24 | C3 | H24 | 120.0° | 120.0° |
| N24 | C26 | H261 | H262 | 119.5° | 119.5° |
| N24 | C26 | C25 | H251 | 176.3° | 176.3° |
| N24 | C26 | C25 | H252 | 63.4° | 63.4° |
| C26 | N24 | C3 | H3C1 | 62.9° | 62.9° |
| C26 | N24 | C3 | H3C2 | 176.7° | 176.7° |
| C25 | C5 | N6 | C4 | 123.3° | 123.3° |
| C25 | C5 | N6 | H5 | 118.4° | 118.4° |
| C25 | C5 | C4 | H5 | 118.5° | 118.5° |
| C25 | C5 | N6 | C7 | 92.3° | 92.3° |
| C25 | C5 | C4 | C3 | 57.1° | 57.1° |
| C5 | C25 | C26 | H261 | 176.4° | 176.4° |
| C5 | C25 | C26 | H262 | 63.1° | 63.1° |
| C5 | C25 | H251 | H252 | 119.7° | 119.7° |
| C25 | C5 | N6 | H6 | 87.7° | 87.7° |
| C25 | C5 | C4 | H4C1 | 177.1° | 177.1° |
| C25 | C5 | C4 | H4C2 | 62.6° | 62.6° |
| N6 | C5 | C4 | H5 | 117.6° | 117.6° |
| C5 | N6 | C7 | H6 | 180.0° | 180.0° |
| C5 | N6 | C7 | O8 | 5.9° | 5.9° |
| C5 | N6 | C7 | C9 | 174.0° | 174.0° |
| N6 | C5 | C4 | C3 | 179.0° | 179.0° |
| N6 | C5 | C25 | H251 | 59.3° | 59.3° |
| N6 | C5 | C25 | H252 | 61.0° | 61.0° |
| N6 | C5 | C4 | H4C1 | 59.0° | 59.0° |
| N6 | C5 | C4 | H4C2 | 61.3° | 61.3° |
| C4 | C5 | N6 | C7 | 144.4° | 144.4° |
| C5 | C4 | C3 | H4C1 | 120.0° | 120.0° |
| C5 | C4 | C3 | H4C2 | 119.7° | 119.7° |
| C5 | C4 | C3 | N24 | 56.6° | 56.6° |
| C4 | C5 | C25 | H251 | 176.8° | 176.8° |
| C4 | C5 | C25 | H252 | 63.0° | 63.0° |
| C4 | C5 | N6 | H6 | 35.6° | 35.6° |
| C5 | C4 | H4C1 | H4C2 | 119.7° | 119.7° |
| C5 | C4 | C3 | H3C1 | 63.4° | 63.4° |
| C5 | C4 | C3 | H3C2 | 176.2° | 176.2° |
| N6 | C7 | O8 | C9 | 179.9° | 179.9° |
| N6 | C7 | C9 | N10 | 11.4° | 11.4° |
| N6 | C7 | C9 | C13 | 168.3° | 168.3° |
| C7 | N6 | C5 | H5 | 26.1° | 26.1° |
| O8 | C7 | C9 | N10 | 168.7° | 168.7° |
| O8 | C7 | C9 | C13 | 11.6° | 11.6° |
| O8 | C7 | N6 | H6 | 174.1° | 174.1° |
| C7 | C9 | N10 | C13 | 179.8° | 179.8° |
| C7 | C9 | N10 | N11 | 179.0° | 179.0° |
| C7 | C9 | C13 | C12 | 179.6° | 179.6° |
| C7 | C9 | C13 | N14 | 0.5° | 0.5° |
| C9 | C7 | N6 | H6 | 6.0° | 6.0° |
| C9 | N10 | N11 | C12 | 1.1° | 1.1° |
| N10 | C9 | C13 | C12 | 0.2° | 0.2° |
| N10 | C9 | C13 | N14 | 179.3° | 179.3° |
| C9 | N10 | N11 | H11 | 179.0° | 179.0° |
| C13 | C9 | N10 | N11 | 0.8° | 0.8° |
| C9 | C13 | C12 | N11 | 0.5° | 0.5° |
| C9 | C13 | C12 | N14 | 179.0° | 179.0° |
| C9 | C13 | N14 | C15 | 167.2° | 167.2° |
| C9 | C13 | C12 | H12 | 179.5° | 179.5° |
| C9 | C13 | N14 | H14 | 12.8° | 12.8° |
| N10 | N11 | C12 | H11 | 180.0° | 180.0° |
| N10 | N11 | C12 | C13 | 1.0° | 1.0° |
| N10 | N11 | C12 | H12 | 179.0° | 179.0° |
| N11 | C12 | C13 | H12 | 180.0° | 180.0° |
| N11 | C12 | C13 | N14 | 178.5° | 178.5° |
| C12 | C13 | N14 | C15 | 11.6° | 11.6° |
| C13 | C12 | N11 | H11 | 179.0° | 179.0° |
| C12 | C13 | N14 | H14 | 168.4° | 168.4° |
| C13 | N14 | C15 | H14 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 6.1° | 6.1° |
| C13 | N14 | C15 | C17 | 177.0° | 177.0° |
| N14 | C13 | C12 | H12 | 1.5° | 1.5° |
| N14 | C15 | O16 | C17 | 176.8° | 176.8° |
| N14 | C15 | C17 | C18 | 109.8° | 109.8° |
| N14 | C15 | C17 | C23 | 67.3° | 67.3° |
| O16 | C15 | C17 | C18 | 67.2° | 67.2° |
| O16 | C15 | C17 | C23 | 115.8° | 115.8° |
| O16 | C15 | N14 | H14 | 173.9° | 173.9° |
| C15 | C17 | C18 | C23 | 177.2° | 177.2° |
| C15 | C17 | C18 | C20 | 178.3° | 178.3° |
| C15 | C17 | C18 | CL7 | 2.0° | 2.0° |
| C15 | C17 | C23 | C22 | 178.2° | 178.2° |
| C15 | C17 | C23 | CL1 | 3.5° | 3.5° |
| C17 | C15 | N14 | H14 | 3.0° | 3.0° |
| C17 | C18 | C20 | CL7 | 179.7° | 179.7° |
| C17 | C18 | C20 | C21 | 0.0° | 0.0° |
| C18 | C17 | C23 | C22 | 1.1° | 1.1° |
| C18 | C17 | C23 | CL1 | 179.4° | 179.4° |
| C17 | C18 | C20 | H20 | 180.0° | 180.0° |
| C23 | C17 | C18 | C20 | 1.1° | 1.1° |
| C23 | C17 | C18 | CL7 | 179.1° | 179.1° |
| C17 | C23 | C22 | C21 | 0.1° | 0.1° |
| C17 | C23 | C22 | CL1 | 178.3° | 178.3° |
| C17 | C23 | C22 | H22 | 179.9° | 179.9° |
| C18 | C20 | C21 | H20 | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 1.2° | 1.2° |
| C18 | C20 | C21 | H21 | 178.8° | 178.8° |
| CL7 | C18 | C20 | C21 | 179.8° | 179.8° |
| CL7 | C18 | C20 | H20 | 0.2° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.2° | 1.2° |
| C20 | C21 | C22 | H22 | 178.8° | 178.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | CL1 | 178.2° | 178.2° |
| C22 | C21 | C20 | H20 | 178.8° | 178.8° |
| C23 | C22 | C21 | H21 | 178.8° | 178.8° |
| CL1 | C23 | C22 | H22 | 1.8° | 1.8° |
| C4 | C3 | N24 | H3C1 | 120.0° | 120.0° |
| C4 | C3 | N24 | H3C2 | 119.5° | 119.5° |
| C4 | C3 | N24 | H24 | 62.8° | 62.8° |
| C3 | C4 | C5 | H5 | 61.4° | 61.4° |
| C3 | C4 | H4C1 | H4C2 | 119.7° | 119.7° |
| C4 | C3 | H3C1 | H3C2 | 119.5° | 119.5° |
| C3 | N24 | C26 | H261 | 177.0° | 177.0° |
| C3 | N24 | C26 | H262 | 62.4° | 62.4° |
| N24 | C3 | C4 | H4C1 | 176.6° | 176.6° |
| N24 | C3 | C4 | H4C2 | 63.1° | 63.1° |
| N24 | C3 | H3C1 | H3C2 | 119.6° | 119.6° |
| H261 | C26 | C25 | H251 | 63.7° | 63.7° |
| H261 | C26 | C25 | H252 | 56.6° | 56.6° |
| H261 | C26 | N24 | H24 | 57.0° | 57.0° |
| H262 | C26 | C25 | H251 | 56.9° | 56.9° |
| H262 | C26 | C25 | H252 | 177.2° | 177.2° |
| H262 | C26 | N24 | H24 | 177.6° | 177.6° |
| H251 | C25 | C5 | H5 | 58.3° | 58.3° |
| H252 | C25 | C5 | H5 | 178.6° | 178.6° |
| H24 | N24 | C3 | H3C1 | 177.2° | 177.2° |
| H24 | N24 | C3 | H3C2 | 56.7° | 56.7° |
| H5 | C5 | N6 | H6 | 153.9° | 153.9° |
| H5 | C5 | C4 | H4C1 | 58.6° | 58.6° |
| H5 | C5 | C4 | H4C2 | 178.9° | 178.9° |
| H4C1 | C4 | C3 | H3C1 | 56.6° | 56.6° |
| H4C1 | C4 | C3 | H3C2 | 63.9° | 63.9° |
| H4C2 | C4 | C3 | H3C1 | 176.9° | 176.9° |
| H4C2 | C4 | C3 | H3C2 | 56.4° | 56.4° |
| H11 | N11 | C12 | H12 | 1.0° | 1.0° |
| H20 | C20 | C21 | H21 | 1.2° | 1.2° |
| H21 | C21 | C22 | H22 | 1.2° | 1.2° |
