ZLD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.49Å | Aromatic |
| C2 | N4 | sing | 1.40Å | 1.48Å | |
| C5 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C9 | N11 | sing | 1.46Å | 1.48Å | |
| C1 | C3 | doub | 1.38Å | 1.49Å | Aromatic |
| C3 | C17 | sing | 1.39Å | 1.50Å | Aromatic |
| N4 | C6 | sing | 1.47Å | 1.49Å | |
| N4 | C7 | sing | 1.34Å | 1.37Å | |
| C6 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | O10 | sing | 1.34Å | 1.38Å | |
| C7 | O15 | doub | 1.22Å | 1.25Å | |
| C8 | O10 | sing | 1.46Å | 1.43Å | |
| N11 | C12 | sing | 1.35Å | 1.38Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | O14 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | doub | 1.39Å | 1.51Å | Aromatic |
| C16 | F18 | sing | 1.35Å | 1.36Å | |
| C17 | N19 | sing | 1.40Å | 1.37Å | |
| N19 | C20 | sing | 1.47Å | 1.54Å | |
| N19 | C24 | sing | 1.47Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C21 | O22 | sing | 1.43Å | 1.36Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.68Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C2 | C1 | 120.1° | 120.0° |
| C5 | C2 | N4 | 119.8° | 120.0° |
| C2 | C5 | C16 | 120.5° | 120.0° |
| C2 | C5 | H5 | 119.7° | 120.0° |
| C1 | C2 | N4 | 120.1° | 120.0° |
| C2 | C1 | C3 | 118.2° | 120.0° |
| C2 | C1 | H1 | 120.9° | 120.0° |
| C2 | N4 | C6 | 120.4° | 125.5° |
| C2 | N4 | C7 | 133.9° | 125.6° |
| C5 | C16 | C17 | 126.0° | 119.9° |
| C5 | C16 | F18 | 112.5° | 120.1° |
| C16 | C5 | H5 | 119.7° | 120.0° |
| C8 | C9 | N11 | 112.9° | 109.5° |
| C9 | C8 | C6 | 124.0° | 110.5° |
| C9 | C8 | O10 | 108.4° | 110.7° |
| C8 | C9 | H9 | 108.3° | 109.5° |
| C8 | C9 | H9A | 107.6° | 109.5° |
| C9 | C8 | H8 | 98.5° | 110.5° |
| C9 | N11 | C12 | 123.0° | 120.0° |
| N11 | C9 | H9 | 108.4° | 109.5° |
| N11 | C9 | H9A | 107.5° | 109.4° |
| C9 | N11 | HN11 | 118.5° | 120.0° |
| C1 | C3 | C17 | 124.3° | 120.0° |
| C3 | C1 | H1 | 120.9° | 120.0° |
| C1 | C3 | H3 | 117.8° | 120.0° |
| C3 | C17 | C16 | 111.0° | 120.0° |
| C3 | C17 | N19 | 125.4° | 120.0° |
| C17 | C3 | H3 | 117.9° | 120.0° |
| C6 | N4 | C7 | 105.6° | 108.9° |
| N4 | C6 | C8 | 104.5° | 103.8° |
| N4 | C6 | H6 | 111.2° | 110.6° |
| N4 | C6 | H6A | 112.2° | 110.6° |
| N4 | C7 | O10 | 114.2° | 113.9° |
| N4 | C7 | O15 | 123.9° | 123.1° |
| C6 | C8 | O10 | 105.4° | 104.0° |
| C8 | C6 | H6 | 111.2° | 110.6° |
| C8 | C6 | H6A | 112.2° | 110.6° |
| C6 | C8 | H8 | 101.9° | 110.5° |
| O10 | C7 | O15 | 122.0° | 123.0° |
| C7 | O10 | C8 | 108.0° | 109.4° |
| O10 | C8 | H8 | 119.6° | 110.5° |
| N11 | C12 | C13 | 113.6° | 120.0° |
| N11 | C12 | O14 | 124.2° | 120.0° |
| C12 | N11 | HN11 | 118.5° | 120.0° |
| C13 | C12 | O14 | 122.2° | 120.0° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.4° |
| C12 | C13 | H13B | 109.4° | 109.5° |
| C17 | C16 | F18 | 121.5° | 120.0° |
| C16 | C17 | N19 | 123.6° | 120.0° |
| C17 | N19 | C20 | 119.5° | 111.0° |
| C17 | N19 | C24 | 120.7° | 111.0° |
| C20 | N19 | C24 | 113.7° | 110.7° |
| N19 | C20 | C21 | 112.4° | 109.2° |
| N19 | C20 | H20 | 108.5° | 109.5° |
| N19 | C20 | H20A | 107.9° | 109.6° |
| N19 | C24 | C23 | 117.9° | 109.3° |
| N19 | C24 | H24 | 106.7° | 109.5° |
| N19 | C24 | H24A | 104.8° | 109.5° |
| C20 | C21 | O22 | 119.5° | 109.2° |
| C21 | C20 | H20 | 108.5° | 109.5° |
| C21 | C20 | H20A | 107.9° | 109.5° |
| C20 | C21 | H21 | 106.3° | 109.5° |
| C20 | C21 | H21A | 103.9° | 109.5° |
| C21 | O22 | C23 | 106.7° | 113.7° |
| O22 | C21 | H21 | 106.3° | 109.6° |
| O22 | C21 | H21A | 104.0° | 109.5° |
| O22 | C23 | C24 | 109.1° | 109.3° |
| O22 | C23 | H23 | 109.6° | 109.5° |
| O22 | C23 | H23A | 109.7° | 109.5° |
| C24 | C23 | H23 | 109.6° | 109.5° |
| C24 | C23 | H23A | 109.7° | 109.5° |
| C23 | C24 | H24 | 106.8° | 109.5° |
| C23 | C24 | H24A | 104.8° | 109.5° |
| H9 | C9 | H9A | 112.2° | 109.4° |
| H6 | C6 | H6A | 105.7° | 110.6° |
| H13 | C13 | H13A | 109.4° | 109.4° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H20 | C20 | H20A | 111.7° | 109.5° |
| H21 | C21 | H21A | 117.7° | 109.6° |
| H23 | C23 | H23A | 109.2° | 109.5° |
| H24 | C24 | H24A | 116.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C2 | C1 | N4 | 177.6° | 179.7° |
| C2 | C5 | C16 | H5 | 180.0° | 180.0° |
| C5 | C2 | C1 | C3 | 0.0° | 0.0° |
| C5 | C2 | N4 | C6 | 146.3° | 180.0° |
| C5 | C2 | N4 | C7 | 30.0° | 0.3° |
| C2 | C5 | C16 | C17 | 0.1° | 0.1° |
| C2 | C5 | C16 | F18 | 177.8° | 180.0° |
| C5 | C2 | C1 | H1 | 180.0° | 180.0° |
| C1 | C2 | C5 | C16 | 0.5° | 0.0° |
| C2 | C1 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C3 | C17 | 1.0° | 0.1° |
| C1 | C2 | N4 | C6 | 31.3° | 0.3° |
| C1 | C2 | N4 | C7 | 152.4° | 179.4° |
| C1 | C2 | C5 | H5 | 179.5° | 180.0° |
| C2 | C1 | C3 | H3 | 179.0° | 180.0° |
| N4 | C2 | C5 | C16 | 178.1° | 179.7° |
| N4 | C2 | C1 | C3 | 177.6° | 179.7° |
| C2 | N4 | C6 | C7 | 177.2° | 179.8° |
| C2 | N4 | C6 | C8 | 163.7° | 180.0° |
| C2 | N4 | C7 | O10 | 169.3° | 180.0° |
| C2 | N4 | C7 | O15 | 11.1° | 0.0° |
| N4 | C2 | C5 | H5 | 1.9° | 0.3° |
| N4 | C2 | C1 | H1 | 2.4° | 0.2° |
| C2 | N4 | C6 | H6 | 43.6° | 61.4° |
| C2 | N4 | C6 | H6A | 74.5° | 61.4° |
| C5 | C16 | C17 | C3 | 1.0° | 0.1° |
| C5 | C16 | C17 | F18 | 177.7° | 179.9° |
| C5 | C16 | C17 | N19 | 179.1° | 179.9° |
| C8 | C9 | N11 | H9 | 120.0° | 120.1° |
| C8 | C9 | N11 | H9A | 118.5° | 120.0° |
| C9 | C8 | C6 | N4 | 110.2° | 118.6° |
| C9 | C8 | C6 | O10 | 125.4° | 118.8° |
| C9 | C8 | C6 | H8 | 109.0° | 122.6° |
| C9 | C8 | O10 | C7 | 123.4° | 118.7° |
| C9 | C8 | O10 | H8 | 111.6° | 122.6° |
| C8 | C9 | N11 | C12 | 88.9° | 180.0° |
| C8 | C9 | H9 | H9A | 118.6° | 120.0° |
| C9 | C8 | C6 | H6 | 9.8° | 0.0° |
| C9 | C8 | C6 | H6A | 127.9° | 122.8° |
| C8 | C9 | N11 | HN11 | 91.1° | 0.1° |
| N11 | C9 | C8 | C6 | 77.6° | 179.9° |
| N11 | C9 | C8 | O10 | 46.5° | 65.3° |
| C9 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 180.0° | 179.9° |
| C9 | N11 | C12 | O14 | 0.3° | 0.1° |
| N11 | C9 | H9 | H9A | 118.6° | 120.0° |
| N11 | C9 | C8 | H8 | 171.7° | 57.3° |
| C1 | C3 | C17 | H3 | 180.0° | 180.0° |
| C1 | C3 | C17 | C16 | 1.4° | 0.0° |
| C1 | C3 | C17 | N19 | 178.7° | 180.0° |
| C3 | C17 | C16 | N19 | 179.9° | 180.0° |
| C3 | C17 | C16 | F18 | 176.7° | 180.0° |
| C3 | C17 | N19 | C20 | 137.7° | 60.0° |
| C3 | C17 | N19 | C24 | 13.2° | 63.6° |
| C17 | C3 | C1 | H1 | 179.0° | 180.0° |
| N4 | C6 | C8 | H6 | 120.0° | 118.6° |
| N4 | C6 | C8 | H6A | 121.9° | 118.6° |
| C6 | N4 | C7 | O10 | 7.3° | 0.2° |
| C6 | N4 | C7 | O15 | 172.3° | 179.7° |
| N4 | C6 | C8 | O10 | 15.2° | 0.2° |
| N4 | C6 | H6 | H6A | 122.0° | 122.8° |
| N4 | C6 | C8 | H8 | 140.8° | 118.8° |
| C7 | N4 | C6 | C8 | 13.5° | 0.2° |
| N4 | C7 | O10 | O15 | 179.6° | 179.9° |
| N4 | C7 | O10 | C8 | 2.8° | 0.1° |
| C7 | N4 | C6 | H6 | 133.6° | 118.9° |
| C7 | N4 | C6 | H6A | 108.3° | 118.3° |
| C6 | C8 | O10 | C7 | 11.3° | 0.1° |
| C6 | C8 | O10 | H8 | 113.8° | 118.6° |
| C6 | C8 | C9 | H9 | 42.4° | 60.0° |
| C6 | C8 | C9 | H9A | 163.9° | 60.0° |
| C8 | C6 | H6 | H6A | 122.0° | 122.8° |
| C7 | O10 | C8 | H8 | 125.0° | 118.7° |
| O15 | C7 | O10 | C8 | 177.7° | 179.9° |
| O10 | C8 | C9 | H9 | 166.5° | 54.8° |
| O10 | C8 | C9 | H9A | 72.0° | 174.7° |
| O10 | C8 | C6 | H6 | 135.2° | 118.8° |
| O10 | C8 | C6 | H6A | 106.7° | 118.4° |
| N11 | C12 | C13 | O14 | 179.7° | 180.0° |
| C12 | N11 | C9 | H9 | 31.1° | 59.9° |
| C12 | N11 | C9 | H9A | 152.6° | 60.1° |
| N11 | C12 | C13 | H13 | 75.9° | 90.1° |
| N11 | C12 | C13 | H13A | 164.1° | 150.0° |
| N11 | C12 | C13 | H13B | 44.1° | 30.0° |
| C13 | C12 | N11 | HN11 | 0.0° | 0.1° |
| C12 | C13 | H13 | H13A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| O14 | C12 | N11 | HN11 | 179.7° | 180.0° |
| O14 | C12 | C13 | H13 | 103.9° | 90.0° |
| O14 | C12 | C13 | H13A | 16.1° | 30.0° |
| O14 | C12 | C13 | H13B | 136.2° | 150.0° |
| C16 | C17 | N19 | C20 | 42.4° | 120.0° |
| C16 | C17 | N19 | C24 | 166.7° | 116.4° |
| C17 | C16 | C5 | H5 | 180.0° | 180.0° |
| C16 | C17 | C3 | H3 | 178.6° | 180.0° |
| F18 | C16 | C17 | N19 | 3.2° | 0.0° |
| F18 | C16 | C5 | H5 | 2.2° | 0.0° |
| C17 | N19 | C20 | C24 | 152.8° | 123.8° |
| C17 | N19 | C20 | C21 | 178.6° | 177.6° |
| C17 | N19 | C24 | C23 | 175.7° | 177.6° |
| N19 | C17 | C3 | H3 | 1.3° | 0.1° |
| C17 | N19 | C20 | H20 | 61.4° | 57.7° |
| C17 | N19 | C20 | H20A | 59.8° | 62.5° |
| C17 | N19 | C24 | H24 | 64.3° | 62.4° |
| C17 | N19 | C24 | H24A | 59.7° | 57.7° |
| N19 | C20 | C21 | H20 | 120.0° | 119.9° |
| N19 | C20 | C21 | H20A | 118.8° | 120.0° |
| N19 | C20 | C21 | O22 | 43.7° | 56.9° |
| C20 | N19 | C24 | C23 | 31.8° | 58.7° |
| N19 | C20 | H20 | H20A | 118.8° | 120.2° |
| N19 | C20 | C21 | H21 | 76.2° | 63.1° |
| N19 | C20 | C21 | H21A | 158.9° | 176.8° |
| C20 | N19 | C24 | H24 | 88.2° | 61.3° |
| C20 | N19 | C24 | H24A | 147.9° | 178.6° |
| C24 | N19 | C20 | C21 | 25.8° | 58.7° |
| N19 | C24 | C23 | O22 | 51.0° | 56.9° |
| N19 | C24 | C23 | H24 | 120.0° | 120.0° |
| N19 | C24 | C23 | H24A | 116.0° | 119.9° |
| C24 | N19 | C20 | H20 | 145.8° | 178.6° |
| C24 | N19 | C20 | H20A | 93.0° | 61.3° |
| N19 | C24 | C23 | H23 | 69.0° | 63.0° |
| N19 | C24 | C23 | H23A | 171.2° | 176.8° |
| N19 | C24 | H24 | H24A | 116.5° | 120.1° |
| C20 | C21 | O22 | H21 | 120.0° | 119.9° |
| C20 | C21 | O22 | H21A | 115.2° | 119.9° |
| C20 | C21 | O22 | C23 | 63.1° | 58.7° |
| C21 | C20 | H20 | H20A | 118.8° | 120.1° |
| C20 | C21 | H21 | H21A | 115.9° | 120.1° |
| C21 | O22 | C23 | C24 | 61.4° | 58.7° |
| O22 | C21 | C20 | H20 | 163.8° | 176.8° |
| O22 | C21 | C20 | H20A | 75.0° | 63.1° |
| O22 | C21 | H21 | H21A | 115.9° | 120.2° |
| C21 | O22 | C23 | H23 | 58.6° | 61.2° |
| C21 | O22 | C23 | H23A | 178.4° | 178.6° |
| O22 | C23 | C24 | H23 | 120.0° | 119.9° |
| O22 | C23 | C24 | H23A | 120.2° | 119.9° |
| C23 | O22 | C21 | H21 | 56.9° | 61.2° |
| C23 | O22 | C21 | H21A | 178.2° | 178.6° |
| O22 | C23 | H23 | H23A | 120.1° | 120.1° |
| O22 | C23 | C24 | H24 | 68.9° | 63.1° |
| O22 | C23 | C24 | H24A | 167.1° | 176.8° |
| C24 | C23 | H23 | H23A | 120.2° | 120.2° |
| C23 | C24 | H24 | H24A | 116.6° | 120.1° |
| H9 | C9 | C8 | H8 | 68.3° | 177.4° |
| H9 | C9 | N11 | HN11 | 148.9° | 120.0° |
| H9A | C9 | C8 | H8 | 53.2° | 62.6° |
| H9A | C9 | N11 | HN11 | 27.4° | 120.1° |
| H1 | C1 | C3 | H3 | 1.0° | 0.1° |
| H6 | C6 | C8 | H8 | 99.2° | 122.7° |
| H6A | C6 | C8 | H8 | 18.9° | 0.2° |
| H13 | C13 | H13A | H13B | 120.0° | 120.1° |
| H20 | C20 | C21 | H21 | 43.8° | 56.9° |
| H20 | C20 | C21 | H21A | 81.1° | 63.3° |
| H20A | C20 | C21 | H21 | 165.0° | 176.9° |
| H20A | C20 | C21 | H21A | 40.1° | 56.8° |
| H23 | C23 | C24 | H24 | 171.1° | 177.0° |
| H23 | C23 | C24 | H24A | 47.1° | 56.9° |
| H23A | C23 | C24 | H24 | 51.2° | 56.8° |
| H23A | C23 | C24 | H24A | 72.8° | 63.3° |
