LZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N26 | sing | 1.49Å | 1.49Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | N6 | sing | 1.47Å | 1.47Å | |
| C5 | C25 | sing | 1.54Å | 1.54Å | |
| N6 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O8 | doub | 1.23Å | 1.23Å | |
| C7 | C9 | sing | 1.48Å | 1.48Å | |
| C9 | N10 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | 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 | 1.50Å | 1.50Å | |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | F19 | sing | 1.35Å | 1.35Å | |
| C18 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.35Å | |
| C25 | N26 | sing | 1.49Å | 1.49Å | |
| C2 | H2C1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C2 | sing | 1.10Å | 1.10Å | |
| C3 | H3C1 | sing | 1.10Å | 1.10Å | |
| C3 | H3C2 | sing | 1.10Å | 1.10Å | |
| N26 | H26 | sing | 1.00Å | 1.00Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| N6 | H6 | sing | 1.00Å | 1.00Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 1.00Å | 1.00Å | |
| N14 | H14 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | N26 | 110.5° | 110.5° |
| C2 | C3 | C4 | 111.1° | 111.1° |
| C3 | C2 | H2C1 | 109.1° | 109.1° |
| C3 | C2 | H2C2 | 108.9° | 108.9° |
| C2 | C3 | H3C1 | 108.9° | 108.9° |
| C2 | C3 | H3C2 | 108.6° | 108.6° |
| C2 | N26 | C25 | 111.3° | 111.3° |
| N26 | C2 | H2C1 | 109.1° | 109.1° |
| N26 | C2 | H2C2 | 108.9° | 108.9° |
| C2 | N26 | H26 | 108.9° | 108.9° |
| C3 | C4 | C5 | 110.4° | 110.4° |
| C4 | C3 | H3C1 | 108.9° | 108.9° |
| C4 | C3 | H3C2 | 108.6° | 108.6° |
| C3 | C4 | H4C1 | 109.2° | 109.2° |
| C3 | C4 | H4C2 | 109.0° | 109.0° |
| C4 | C5 | N6 | 111.6° | 111.6° |
| C4 | C5 | C25 | 110.4° | 110.4° |
| C5 | C4 | H4C1 | 109.2° | 109.2° |
| C5 | C4 | H4C2 | 109.0° | 109.0° |
| C4 | C5 | H5 | 107.9° | 107.9° |
| N6 | C5 | C25 | 111.1° | 111.1° |
| C5 | N6 | C7 | 120.7° | 120.7° |
| N6 | C5 | H5 | 107.1° | 107.2° |
| C5 | N6 | H6 | 119.6° | 119.6° |
| C5 | C25 | N26 | 110.8° | 110.8° |
| C25 | C5 | H5 | 108.4° | 108.4° |
| C5 | C25 | H251 | 109.0° | 109.0° |
| C5 | C25 | H252 | 108.7° | 108.7° |
| N6 | C7 | O8 | 122.5° | 122.5° |
| N6 | C7 | C9 | 116.9° | 116.9° |
| C7 | N6 | H6 | 119.7° | 119.7° |
| O8 | C7 | C9 | 120.6° | 120.6° |
| C7 | C9 | N10 | 123.3° | 123.3° |
| C7 | C9 | C13 | 126.3° | 126.3° |
| N10 | C9 | C13 | 110.4° | 110.4° |
| C9 | N10 | N11 | 105.3° | 105.3° |
| C9 | C13 | C12 | 105.8° | 105.8° |
| C9 | C13 | N14 | 123.5° | 123.5° |
| N10 | N11 | C12 | 111.7° | 111.7° |
| N10 | N11 | H11 | 124.2° | 124.2° |
| N11 | C12 | C13 | 106.8° | 106.8° |
| N11 | C12 | H12 | 126.6° | 126.6° |
| C12 | N11 | H11 | 124.1° | 124.1° |
| C12 | C13 | N14 | 130.7° | 130.7° |
| C13 | C12 | H12 | 126.6° | 126.6° |
| C13 | N14 | C15 | 126.0° | 126.0° |
| C13 | N14 | H14 | 117.0° | 117.0° |
| N14 | C15 | O16 | 123.1° | 123.1° |
| N14 | C15 | C17 | 115.7° | 115.7° |
| C15 | N14 | H14 | 117.0° | 117.0° |
| O16 | C15 | C17 | 121.2° | 121.2° |
| C15 | C17 | C18 | 121.3° | 121.3° |
| C15 | C17 | C23 | 120.9° | 120.9° |
| C18 | C17 | C23 | 117.8° | 117.8° |
| C17 | C18 | F19 | 118.6° | 118.6° |
| C17 | C18 | C20 | 121.4° | 121.4° |
| C17 | C23 | C22 | 121.7° | 121.7° |
| C17 | C23 | F24 | 118.3° | 118.3° |
| F19 | C18 | C20 | 120.0° | 120.0° |
| C18 | C20 | C21 | 119.5° | 119.5° |
| C18 | C20 | H20 | 120.2° | 120.2° |
| C20 | C21 | C22 | 119.8° | 119.8° |
| C21 | C20 | H20 | 120.2° | 120.3° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | C23 | 119.7° | 119.7° |
| C22 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | H22 | 120.1° | 120.1° |
| C22 | C23 | F24 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.2° | 120.2° |
| C25 | N26 | H26 | 108.9° | 108.9° |
| N26 | C25 | H251 | 109.0° | 109.0° |
| N26 | C25 | H252 | 108.7° | 108.8° |
| H2C1 | C2 | H2C2 | 110.3° | 110.3° |
| H3C1 | C3 | H3C2 | 110.7° | 110.7° |
| H4C1 | C4 | H4C2 | 110.2° | 110.2° |
| H251 | C25 | H252 | 110.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | N26 | H2C1 | 120.0° | 120.0° |
| C3 | C2 | N26 | H2C2 | 119.6° | 119.6° |
| C2 | C3 | C4 | H3C1 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3C2 | 119.3° | 119.3° |
| C2 | C3 | C4 | C5 | 55.4° | 55.4° |
| C3 | C2 | N26 | C25 | 58.5° | 58.5° |
| C3 | C2 | H2C1 | H2C2 | 119.6° | 119.6° |
| C2 | C3 | H3C1 | H3C2 | 119.3° | 119.3° |
| C3 | C2 | N26 | H26 | 61.5° | 61.5° |
| C2 | C3 | C4 | H4C1 | 64.6° | 64.6° |
| C2 | C3 | C4 | H4C2 | 175.0° | 175.0° |
| N26 | C2 | C3 | C4 | 57.0° | 57.0° |
| C2 | N26 | C25 | C5 | 58.4° | 58.4° |
| C2 | N26 | C25 | H26 | 120.0° | 120.0° |
| N26 | C2 | H2C1 | H2C2 | 119.6° | 119.6° |
| N26 | C2 | C3 | H3C1 | 177.0° | 177.0° |
| N26 | C2 | C3 | H3C2 | 62.4° | 62.4° |
| C2 | N26 | C25 | H251 | 61.6° | 61.6° |
| C2 | N26 | C25 | H252 | 177.8° | 177.8° |
| C3 | C4 | C5 | H4C1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4C2 | 119.6° | 119.6° |
| C3 | C4 | C5 | N6 | 178.9° | 178.9° |
| C3 | C4 | C5 | C25 | 54.7° | 54.7° |
| C4 | C3 | C2 | H2C1 | 177.0° | 177.0° |
| C4 | C3 | C2 | H2C2 | 62.6° | 62.6° |
| C4 | C3 | H3C1 | H3C2 | 119.3° | 119.3° |
| C3 | C4 | H4C1 | H4C2 | 119.6° | 119.6° |
| C3 | C4 | C5 | H5 | 63.6° | 63.6° |
| C4 | C5 | N6 | C25 | 123.8° | 123.8° |
| C4 | C5 | N6 | H5 | 117.9° | 117.9° |
| C4 | C5 | C25 | H5 | 118.0° | 118.0° |
| C4 | C5 | N6 | C7 | 153.2° | 153.2° |
| C4 | C5 | C25 | N26 | 56.3° | 56.3° |
| C5 | C4 | C3 | H3C1 | 175.4° | 175.4° |
| C5 | C4 | C3 | H3C2 | 64.0° | 64.0° |
| C5 | C4 | H4C1 | H4C2 | 119.6° | 119.6° |
| C4 | C5 | N6 | H6 | 26.7° | 26.7° |
| C4 | C5 | C25 | H251 | 63.7° | 63.6° |
| C4 | C5 | C25 | H252 | 175.8° | 175.8° |
| N6 | C5 | C25 | H5 | 117.5° | 117.5° |
| C5 | N6 | C7 | H6 | 180.0° | 180.0° |
| C5 | N6 | C7 | O8 | 1.1° | 1.1° |
| C5 | N6 | C7 | C9 | 179.7° | 179.7° |
| N6 | C5 | C25 | N26 | 179.2° | 179.2° |
| N6 | C5 | C4 | H4C1 | 58.9° | 58.9° |
| N6 | C5 | C4 | H4C2 | 61.5° | 61.5° |
| N6 | C5 | C25 | H251 | 60.8° | 60.8° |
| N6 | C5 | C25 | H252 | 59.8° | 59.8° |
| C25 | C5 | N6 | C7 | 83.0° | 83.0° |
| C5 | C25 | N26 | H251 | 120.0° | 120.0° |
| C5 | C25 | N26 | H252 | 119.4° | 119.5° |
| C5 | C25 | N26 | H26 | 61.6° | 61.6° |
| C25 | C5 | C4 | H4C1 | 65.3° | 65.3° |
| C25 | C5 | C4 | H4C2 | 174.3° | 174.3° |
| C25 | C5 | N6 | H6 | 97.0° | 97.0° |
| C5 | C25 | H251 | H252 | 119.5° | 119.5° |
| N6 | C7 | O8 | C9 | 178.5° | 178.5° |
| N6 | C7 | C9 | N10 | 14.5° | 14.5° |
| N6 | C7 | C9 | C13 | 165.2° | 165.2° |
| C7 | N6 | C5 | H5 | 35.3° | 35.3° |
| O8 | C7 | C9 | N10 | 166.9° | 166.9° |
| O8 | C7 | C9 | C13 | 13.4° | 13.4° |
| O8 | C7 | N6 | H6 | 178.9° | 178.9° |
| C7 | C9 | N10 | C13 | 179.8° | 179.8° |
| C7 | C9 | N10 | N11 | 179.5° | 179.5° |
| C7 | C9 | C13 | C12 | 180.0° | 180.0° |
| C7 | C9 | C13 | N14 | 0.8° | 0.8° |
| C9 | C7 | N6 | H6 | 0.3° | 0.3° |
| C9 | N10 | N11 | C12 | 0.8° | 0.8° |
| N10 | C9 | C13 | C12 | 0.3° | 0.3° |
| N10 | C9 | C13 | N14 | 179.0° | 179.0° |
| C9 | N10 | N11 | H11 | 179.2° | 179.2° |
| C13 | C9 | N10 | N11 | 0.3° | 0.3° |
| C9 | C13 | C12 | N11 | 0.7° | 0.7° |
| C9 | C13 | C12 | N14 | 179.2° | 179.2° |
| C9 | C13 | N14 | C15 | 169.2° | 169.2° |
| C9 | C13 | C12 | H12 | 179.3° | 179.3° |
| C9 | C13 | N14 | H14 | 10.8° | 10.8° |
| N10 | N11 | C12 | H11 | 180.0° | 180.0° |
| N10 | N11 | C12 | C13 | 1.0° | 1.0° |
| N10 | N11 | C12 | H12 | 179.1° | 179.1° |
| N11 | C12 | C13 | H12 | 180.0° | 180.0° |
| N11 | C12 | C13 | N14 | 178.4° | 178.4° |
| C12 | C13 | N14 | C15 | 9.8° | 9.8° |
| C13 | C12 | N11 | H11 | 179.0° | 179.0° |
| C12 | C13 | N14 | H14 | 170.2° | 170.2° |
| C13 | N14 | C15 | H14 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 7.0° | 7.0° |
| C13 | N14 | C15 | C17 | 173.0° | 173.0° |
| N14 | C13 | C12 | H12 | 1.5° | 1.5° |
| N14 | C15 | O16 | C17 | 179.9° | 179.9° |
| N14 | C15 | C17 | C18 | 61.2° | 61.2° |
| N14 | C15 | C17 | C23 | 119.7° | 119.7° |
| O16 | C15 | C17 | C18 | 118.8° | 118.8° |
| O16 | C15 | C17 | C23 | 60.4° | 60.4° |
| O16 | C15 | N14 | H14 | 173.0° | 173.0° |
| C15 | C17 | C18 | C23 | 179.2° | 179.2° |
| C15 | C17 | C18 | F19 | 0.6° | 0.6° |
| C15 | C17 | C18 | C20 | 179.9° | 179.9° |
| C15 | C17 | C23 | C22 | 179.8° | 179.8° |
| C15 | C17 | C23 | F24 | 0.9° | 0.9° |
| C17 | C15 | N14 | H14 | 7.1° | 7.1° |
| C17 | C18 | F19 | C20 | 179.5° | 179.5° |
| C17 | C18 | C20 | C21 | 0.6° | 0.6° |
| C18 | C17 | C23 | C22 | 0.6° | 0.6° |
| C18 | C17 | C23 | F24 | 179.9° | 179.9° |
| C17 | C18 | C20 | H20 | 179.3° | 179.4° |
| C23 | C17 | C18 | F19 | 179.7° | 179.7° |
| C23 | C17 | C18 | C20 | 0.7° | 0.7° |
| C17 | C23 | C22 | C21 | 0.4° | 0.4° |
| C17 | C23 | C22 | F24 | 179.3° | 179.3° |
| C17 | C23 | C22 | H22 | 179.6° | 179.6° |
| F19 | C18 | C20 | C21 | 179.9° | 179.9° |
| F19 | C18 | C20 | H20 | 0.2° | 0.1° |
| C18 | C20 | C21 | H20 | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 0.3° | 0.3° |
| C18 | C20 | C21 | H21 | 179.6° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.2° |
| C20 | C21 | C22 | H22 | 179.8° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | F24 | 179.7° | 179.7° |
| C22 | C21 | C20 | H20 | 179.6° | 179.7° |
| C23 | C22 | C21 | H21 | 179.8° | 179.8° |
| F24 | C23 | C22 | H22 | 0.3° | 0.3° |
| C25 | N26 | C2 | H2C1 | 178.5° | 178.5° |
| C25 | N26 | C2 | H2C2 | 61.1° | 61.1° |
| N26 | C25 | C5 | H5 | 61.7° | 61.7° |
| N26 | C25 | H251 | H252 | 119.5° | 119.5° |
| H2C1 | C2 | C3 | H3C1 | 63.0° | 63.0° |
| H2C1 | C2 | C3 | H3C2 | 57.6° | 57.6° |
| H2C1 | C2 | N26 | H26 | 58.5° | 58.5° |
| H2C2 | C2 | C3 | H3C1 | 57.4° | 57.4° |
| H2C2 | C2 | C3 | H3C2 | 178.1° | 178.1° |
| H2C2 | C2 | N26 | H26 | 178.9° | 178.9° |
| H3C1 | C3 | C4 | H4C1 | 55.4° | 55.4° |
| H3C1 | C3 | C4 | H4C2 | 65.0° | 65.0° |
| H3C2 | C3 | C4 | H4C1 | 176.1° | 176.1° |
| H3C2 | C3 | C4 | H4C2 | 55.7° | 55.7° |
| H26 | N26 | C25 | H251 | 178.4° | 178.4° |
| H26 | N26 | C25 | H252 | 57.8° | 57.8° |
| H4C1 | C4 | C5 | H5 | 176.4° | 176.4° |
| H4C2 | C4 | C5 | H5 | 56.0° | 56.0° |
| H5 | C5 | N6 | H6 | 144.7° | 144.7° |
| H5 | C5 | C25 | H251 | 178.3° | 178.3° |
| H5 | C5 | C25 | H252 | 57.7° | 57.8° |
| H12 | C12 | N11 | H11 | 0.9° | 0.9° |
| H20 | C20 | C21 | H21 | 0.4° | 0.4° |
| H21 | C21 | C22 | H22 | 0.2° | 0.2° |
