ZLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.35Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.35Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | O2 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N2 | C11 | sing | 1.35Å | 1.37Å | |
| C11 | O3 | doub | 1.22Å | 1.24Å | |
| C11 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C13 | C14 | doub | 1.33Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.46Å | |
| C13 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 134.2° | 125.6° |
| C1 | C2 | O1 | 115.6° | 125.6° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C3 | C4 | 107.4° | 107.1° |
| C3 | C2 | O1 | 110.1° | 108.8° |
| C2 | C3 | H4 | 126.3° | 126.4° |
| C3 | C4 | C5 | 106.8° | 106.7° |
| C3 | C4 | H5 | 126.6° | 126.7° |
| C4 | C3 | H4 | 126.3° | 126.4° |
| C4 | C5 | O1 | 109.6° | 108.0° |
| C4 | C5 | C6 | 129.2° | 126.0° |
| C5 | C4 | H5 | 126.6° | 126.6° |
| O1 | C5 | C6 | 121.1° | 126.0° |
| C5 | O1 | C2 | 105.9° | 109.4° |
| C5 | C6 | O2 | 116.7° | 120.0° |
| C5 | C6 | N1 | 124.8° | 120.0° |
| O2 | C6 | N1 | 118.5° | 120.0° |
| C6 | N1 | C7 | 127.7° | 120.6° |
| C6 | N1 | C10 | 122.4° | 120.6° |
| N1 | C7 | C8 | 108.4° | 108.7° |
| C7 | N1 | C10 | 109.6° | 118.8° |
| N1 | C7 | H6 | 109.7° | 109.6° |
| N1 | C7 | H7 | 109.7° | 109.6° |
| C7 | C8 | N2 | 111.0° | 108.6° |
| C8 | C7 | H6 | 109.7° | 109.6° |
| C8 | C7 | H7 | 109.7° | 109.6° |
| C7 | C8 | H9 | 109.1° | 109.6° |
| C7 | C8 | H8 | 109.1° | 109.6° |
| C8 | N2 | C9 | 115.6° | 118.8° |
| C8 | N2 | C11 | 121.8° | 120.6° |
| N2 | C8 | H9 | 109.1° | 109.6° |
| N2 | C8 | H8 | 109.1° | 109.5° |
| N2 | C9 | C10 | 114.0° | 108.6° |
| C9 | N2 | C11 | 122.4° | 120.6° |
| N2 | C9 | H10 | 108.3° | 109.6° |
| N2 | C9 | H11 | 108.3° | 109.8° |
| C9 | C10 | N1 | 109.2° | 108.6° |
| C9 | C10 | H13 | 109.6° | 109.6° |
| C9 | C10 | H12 | 109.5° | 109.8° |
| C10 | C9 | H10 | 108.3° | 109.6° |
| C10 | C9 | H11 | 108.3° | 109.6° |
| N2 | C11 | O3 | 119.5° | 120.0° |
| N2 | C11 | N3 | 119.5° | 120.0° |
| O3 | C11 | N3 | 120.8° | 120.0° |
| C11 | N3 | C12 | 122.6° | 120.0° |
| C11 | N3 | H14 | 118.7° | 120.1° |
| N3 | C12 | C13 | 113.9° | 109.5° |
| C12 | N3 | H14 | 118.7° | 120.0° |
| N3 | C12 | H15 | 108.3° | 109.6° |
| N3 | C12 | H16 | 108.3° | 109.5° |
| C12 | C13 | C14 | 127.7° | 125.2° |
| C12 | C13 | S1 | 120.4° | 125.2° |
| C13 | C12 | H15 | 108.3° | 109.5° |
| C13 | C12 | H16 | 108.4° | 109.4° |
| C13 | C14 | C15 | 109.4° | 114.9° |
| C14 | C13 | S1 | 111.9° | 109.6° |
| C13 | C14 | H17 | 125.3° | 122.6° |
| C14 | C15 | C16 | 113.8° | 114.9° |
| C14 | C15 | H18 | 123.1° | 122.5° |
| C15 | C14 | H17 | 125.3° | 122.6° |
| C15 | C16 | S1 | 112.4° | 109.6° |
| C16 | C15 | H18 | 123.1° | 122.6° |
| C15 | C16 | H19 | 123.8° | 125.2° |
| C16 | S1 | C13 | 91.5° | 91.0° |
| S1 | C16 | H19 | 123.9° | 125.2° |
| N1 | C10 | H13 | 109.5° | 109.6° |
| N1 | C10 | H12 | 109.6° | 109.6° |
| H6 | C7 | H7 | 109.5° | 109.8° |
| H9 | C8 | H8 | 109.5° | 109.7° |
| H13 | C10 | H12 | 109.5° | 109.6° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O1 | 177.1° | 179.7° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | O1 | C5 | 178.0° | 179.8° |
| C2 | C1 | H3 | H2 | 120.0° | 120.1° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.3° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | O1 | C5 | 4.3° | 0.4° |
| C2 | C3 | C4 | H5 | 179.3° | 179.7° |
| C3 | C2 | C1 | H3 | 177.0° | 90.0° |
| C3 | C2 | C1 | H2 | 63.0° | 150.0° |
| C3 | C2 | C1 | H1 | 57.0° | 30.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.6° |
| C3 | C4 | C5 | O1 | 2.1° | 0.3° |
| C3 | C4 | C5 | C6 | 179.0° | 179.8° |
| C4 | C3 | C2 | O1 | 3.1° | 0.3° |
| C4 | C5 | O1 | C6 | 177.2° | 179.9° |
| C4 | C5 | C6 | O2 | 18.9° | 6.0° |
| C4 | C5 | C6 | N1 | 164.8° | 174.1° |
| C4 | C5 | O1 | C2 | 3.9° | 0.5° |
| C5 | C4 | C3 | H4 | 179.4° | 179.7° |
| O1 | C5 | C6 | O2 | 164.5° | 174.1° |
| O1 | C5 | C6 | N1 | 11.7° | 5.9° |
| O1 | C5 | C4 | H5 | 178.0° | 179.9° |
| C5 | C6 | O2 | N1 | 176.5° | 180.0° |
| C5 | C6 | N1 | C7 | 12.0° | 5.5° |
| C6 | C5 | O1 | C2 | 178.9° | 179.6° |
| C5 | C6 | N1 | C10 | 161.8° | 174.2° |
| C6 | C5 | C4 | H5 | 1.1° | 0.1° |
| O2 | C6 | N1 | C7 | 171.8° | 174.5° |
| O2 | C6 | N1 | C10 | 14.4° | 5.8° |
| C6 | N1 | C7 | C10 | 174.5° | 179.7° |
| C6 | N1 | C7 | C8 | 107.6° | 124.5° |
| C6 | N1 | C10 | C9 | 112.6° | 124.5° |
| C6 | N1 | C7 | H6 | 12.2° | 115.7° |
| C6 | N1 | C7 | H7 | 132.5° | 4.7° |
| C6 | N1 | C10 | H13 | 7.4° | 4.8° |
| C6 | N1 | C10 | H12 | 127.5° | 115.6° |
| N1 | C7 | C8 | H6 | 119.8° | 119.7° |
| N1 | C7 | C8 | H7 | 119.8° | 119.7° |
| N1 | C7 | C8 | N2 | 56.9° | 49.4° |
| C7 | N1 | C10 | C9 | 62.2° | 55.2° |
| N1 | C7 | H6 | H7 | 120.5° | 120.4° |
| N1 | C7 | C8 | H9 | 63.4° | 169.2° |
| N1 | C7 | C8 | H8 | 177.1° | 70.3° |
| C7 | N1 | C10 | H13 | 177.8° | 174.9° |
| C7 | N1 | C10 | H12 | 57.7° | 64.7° |
| C7 | C8 | N2 | H9 | 120.2° | 119.8° |
| C7 | C8 | N2 | H8 | 120.2° | 119.7° |
| C7 | C8 | N2 | C9 | 45.6° | 55.2° |
| C7 | C8 | N2 | C11 | 140.2° | 124.8° |
| C8 | C7 | N1 | C10 | 66.8° | 55.2° |
| C8 | C7 | H6 | H7 | 120.5° | 120.5° |
| C7 | C8 | H9 | H8 | 119.3° | 120.5° |
| C8 | N2 | C9 | C11 | 174.1° | 180.0° |
| C8 | N2 | C9 | C10 | 42.3° | 55.2° |
| C8 | N2 | C11 | O3 | 9.3° | 5.4° |
| C8 | N2 | C11 | N3 | 166.4° | 174.7° |
| N2 | C8 | C7 | H6 | 176.7° | 70.3° |
| N2 | C8 | C7 | H7 | 62.9° | 169.1° |
| N2 | C8 | H9 | H8 | 119.3° | 120.4° |
| C8 | N2 | C9 | H10 | 78.3° | 64.5° |
| C8 | N2 | C9 | H11 | 163.0° | 175.0° |
| N2 | C9 | C10 | H10 | 120.7° | 119.7° |
| N2 | C9 | C10 | H11 | 120.6° | 119.9° |
| C9 | N2 | C11 | O3 | 177.0° | 174.6° |
| C9 | N2 | C11 | N3 | 7.3° | 5.3° |
| N2 | C9 | C10 | N1 | 49.3° | 49.4° |
| C9 | N2 | C8 | H9 | 74.6° | 175.0° |
| C9 | N2 | C8 | H8 | 165.9° | 64.5° |
| N2 | C9 | C10 | H13 | 169.2° | 169.1° |
| N2 | C9 | C10 | H12 | 70.7° | 70.4° |
| N2 | C9 | H10 | H11 | 117.9° | 120.5° |
| C10 | C9 | N2 | C11 | 143.6° | 124.8° |
| C9 | C10 | N1 | H13 | 120.0° | 119.7° |
| C9 | C10 | N1 | H12 | 120.0° | 119.9° |
| C9 | C10 | H13 | H12 | 120.1° | 120.5° |
| C10 | C9 | H10 | H11 | 118.0° | 120.4° |
| N2 | C11 | O3 | N3 | 175.6° | 180.0° |
| N2 | C11 | N3 | C12 | 170.2° | 175.0° |
| N2 | C11 | N3 | H14 | 9.8° | 5.0° |
| C11 | N2 | C8 | H9 | 99.5° | 5.0° |
| C11 | N2 | C8 | H8 | 20.0° | 115.5° |
| C11 | N2 | C9 | H10 | 95.7° | 115.5° |
| C11 | N2 | C9 | H11 | 22.9° | 5.0° |
| O3 | C11 | N3 | C12 | 5.4° | 5.0° |
| O3 | C11 | N3 | H14 | 174.6° | 175.0° |
| C11 | N3 | C12 | H14 | 180.0° | 180.0° |
| C11 | N3 | C12 | C13 | 87.0° | 180.0° |
| C11 | N3 | C12 | H15 | 33.7° | 60.0° |
| C11 | N3 | C12 | H16 | 152.4° | 60.0° |
| N3 | C12 | C13 | H15 | 120.6° | 120.1° |
| N3 | C12 | C13 | H16 | 120.6° | 120.0° |
| N3 | C12 | C13 | C14 | 31.4° | 90.0° |
| N3 | C12 | C13 | S1 | 148.6° | 90.2° |
| N3 | C12 | H15 | H16 | 118.0° | 120.0° |
| C12 | C13 | C14 | S1 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 170.1° | 179.8° |
| C12 | C13 | S1 | C16 | 170.4° | 179.8° |
| C13 | C12 | N3 | H14 | 93.0° | 0.0° |
| C13 | C12 | H15 | H16 | 118.0° | 119.9° |
| C12 | C13 | C14 | H17 | 9.9° | 0.2° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 4.8° | 0.0° |
| C14 | C13 | S1 | C16 | 9.6° | 0.1° |
| C13 | C14 | C15 | H18 | 175.2° | 180.0° |
| C14 | C13 | C12 | H15 | 89.3° | 30.1° |
| C14 | C13 | C12 | H16 | 152.0° | 150.0° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | S1 | 2.3° | 0.1° |
| C15 | C14 | C13 | S1 | 9.9° | 0.0° |
| C14 | C15 | C16 | H19 | 177.7° | 179.9° |
| C15 | C16 | S1 | H19 | 180.0° | 179.9° |
| C15 | C16 | S1 | C13 | 6.9° | 0.1° |
| C16 | C15 | C14 | H17 | 175.2° | 180.0° |
| S1 | C16 | C15 | H18 | 177.7° | 180.0° |
| O1 | C2 | C1 | H3 | 0.0° | 89.7° |
| O1 | C2 | C1 | H2 | 120.0° | 30.3° |
| O1 | C2 | C1 | H1 | 120.0° | 150.2° |
| O1 | C2 | C3 | H4 | 176.9° | 180.0° |
| C10 | N1 | C7 | H6 | 173.4° | 64.5° |
| C10 | N1 | C7 | H7 | 53.0° | 175.0° |
| N1 | C10 | H13 | H12 | 120.1° | 120.4° |
| N1 | C10 | C9 | H10 | 71.4° | 70.3° |
| N1 | C10 | C9 | H11 | 169.9° | 169.3° |
| S1 | C13 | C12 | H15 | 90.8° | 149.7° |
| S1 | C13 | C12 | H16 | 28.0° | 29.8° |
| S1 | C13 | C14 | H17 | 170.1° | 180.0° |
| C13 | S1 | C16 | H19 | 173.1° | 179.9° |
| H14 | N3 | C12 | H15 | 146.3° | 120.0° |
| H14 | N3 | C12 | H16 | 27.6° | 120.0° |
| H5 | C4 | C3 | H4 | 0.7° | 0.0° |
| H6 | C7 | C8 | H9 | 56.5° | 49.5° |
| H6 | C7 | C8 | H8 | 63.1° | 170.0° |
| H7 | C7 | C8 | H9 | 176.8° | 71.1° |
| H7 | C7 | C8 | H8 | 57.3° | 49.4° |
| H13 | C10 | C9 | H10 | 48.6° | 49.5° |
| H13 | C10 | C9 | H11 | 70.1° | 70.9° |
| H12 | C10 | C9 | H10 | 168.7° | 169.9° |
| H12 | C10 | C9 | H11 | 50.0° | 49.5° |
| H18 | C15 | C14 | H17 | 4.8° | 0.0° |
| H18 | C15 | C16 | H19 | 2.3° | 0.1° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
