ZIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| C9 | N11 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.38Å | 1.34Å | |
| C12 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| N20 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.50Å | 1.50Å | |
| C18 | N17 | sing | 1.47Å | 1.48Å | |
| N17 | C16 | sing | 1.47Å | 1.48Å | |
| N17 | S21 | sing | 1.66Å | 1.62Å | |
| O26 | S21 | doub | 1.42Å | 1.43Å | |
| S21 | O27 | doub | 1.42Å | 1.44Å | |
| S21 | C22 | sing | 1.81Å | 1.79Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | C25 | sing | 1.54Å | 1.56Å | |
| C23 | O24 | sing | 1.44Å | 1.45Å | |
| C25 | O24 | sing | 1.44Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 119.7° | 120.1° |
| CL1 | C2 | C7 | 118.7° | 120.0° |
| C3 | C2 | C7 | 121.6° | 119.9° |
| C2 | C3 | C4 | 118.8° | 120.2° |
| C2 | C3 | H12 | 120.6° | 119.9° |
| C2 | C7 | C6 | 119.4° | 120.0° |
| C2 | C7 | H14 | 120.3° | 120.0° |
| C3 | C4 | C10 | 129.8° | 130.4° |
| C3 | C4 | C5 | 120.0° | 119.8° |
| C4 | C3 | H12 | 120.6° | 119.9° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C7 | C6 | H13 | 119.9° | 119.9° |
| C6 | C7 | H14 | 120.3° | 120.0° |
| C10 | C4 | C5 | 110.2° | 109.8° |
| C4 | C10 | C9 | 103.0° | 105.2° |
| C4 | C10 | H1 | 111.1° | 110.3° |
| C4 | C10 | H2 | 111.1° | 110.4° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C4 | C5 | C8 | 110.7° | 109.7° |
| C10 | C9 | C8 | 105.5° | 102.4° |
| C10 | C9 | N11 | 113.4° | 110.8° |
| C9 | C10 | H1 | 111.1° | 110.3° |
| C9 | C10 | H2 | 111.1° | 110.3° |
| C10 | C9 | H17 | 108.7° | 110.8° |
| C6 | C5 | C8 | 129.3° | 130.4° |
| C5 | C6 | H13 | 119.9° | 119.9° |
| C5 | C8 | C9 | 103.0° | 105.2° |
| C5 | C8 | H15 | 111.1° | 110.3° |
| C5 | C8 | H16 | 111.1° | 110.2° |
| C8 | C9 | N11 | 110.5° | 110.8° |
| C9 | C8 | H15 | 111.0° | 110.3° |
| C9 | C8 | H16 | 111.1° | 110.4° |
| C8 | C9 | H17 | 108.9° | 110.9° |
| C9 | N11 | C12 | 123.0° | 120.0° |
| N11 | C9 | H17 | 109.8° | 110.9° |
| C9 | N11 | H18 | 106.0° | 120.0° |
| N11 | C12 | N13 | 115.7° | 119.2° |
| N11 | C12 | N20 | 117.4° | 119.2° |
| C12 | N11 | H18 | 106.0° | 120.0° |
| N13 | C12 | N20 | 126.9° | 121.7° |
| C12 | N13 | C14 | 115.7° | 120.7° |
| C12 | N20 | C19 | 114.0° | 120.6° |
| N13 | C14 | C15 | 124.7° | 119.1° |
| N13 | C14 | H19 | 117.6° | 120.5° |
| N20 | C19 | C15 | 125.4° | 119.2° |
| N20 | C19 | C18 | 125.2° | 132.0° |
| C14 | C15 | C19 | 113.2° | 118.8° |
| C14 | C15 | C16 | 134.2° | 132.3° |
| C15 | C14 | H19 | 117.7° | 120.4° |
| C15 | C19 | C18 | 109.4° | 108.8° |
| C19 | C15 | C16 | 112.5° | 109.0° |
| C19 | C18 | N17 | 102.4° | 107.7° |
| C19 | C18 | H5 | 111.2° | 109.8° |
| C19 | C18 | H6 | 111.2° | 109.8° |
| C15 | C16 | N17 | 100.2° | 107.6° |
| C15 | C16 | H3 | 111.8° | 109.9° |
| C15 | C16 | H4 | 111.8° | 109.8° |
| C18 | N17 | C16 | 113.4° | 106.9° |
| C18 | N17 | S21 | 122.2° | 126.5° |
| N17 | C18 | H5 | 111.2° | 109.8° |
| N17 | C18 | H6 | 111.2° | 109.8° |
| C16 | N17 | S21 | 121.8° | 126.6° |
| N17 | C16 | H3 | 111.7° | 109.8° |
| N17 | C16 | H4 | 111.8° | 109.9° |
| N17 | S21 | O26 | 107.7° | 104.3° |
| N17 | S21 | O27 | 106.9° | 104.3° |
| N17 | S21 | C22 | 109.7° | 104.4° |
| O26 | S21 | O27 | 118.7° | 121.1° |
| O26 | S21 | C22 | 101.1° | 110.5° |
| O27 | S21 | C22 | 112.5° | 110.6° |
| S21 | C22 | C23 | 114.8° | 113.8° |
| S21 | C22 | C25 | 119.3° | 113.8° |
| S21 | C22 | H7 | 110.3° | 113.1° |
| C23 | C22 | C25 | 83.4° | 85.9° |
| C22 | C23 | O24 | 91.9° | 85.5° |
| C23 | C22 | H7 | 113.5° | 113.8° |
| C22 | C23 | H8 | 113.7° | 113.8° |
| C22 | C23 | H9 | 113.7° | 113.9° |
| C22 | C25 | O24 | 91.3° | 85.5° |
| C25 | C22 | H7 | 113.3° | 113.8° |
| C22 | C25 | H10 | 113.8° | 113.9° |
| C22 | C25 | H11 | 113.8° | 113.9° |
| C23 | O24 | C25 | 91.0° | 93.3° |
| O24 | C23 | H8 | 113.7° | 113.8° |
| O24 | C23 | H9 | 113.6° | 113.9° |
| O24 | C25 | H10 | 113.8° | 113.8° |
| O24 | C25 | H11 | 113.8° | 113.9° |
| H1 | C10 | H2 | 109.4° | 110.3° |
| H3 | C16 | H4 | 109.4° | 109.8° |
| H5 | C18 | H6 | 109.5° | 109.8° |
| H8 | C23 | H9 | 109.5° | 113.2° |
| H10 | C25 | H11 | 109.5° | 113.1° |
| H15 | C8 | H16 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | C7 | 179.9° | 179.9° |
| CL1 | C2 | C3 | C4 | 179.3° | 180.0° |
| CL1 | C2 | C7 | C6 | 179.4° | 180.0° |
| CL1 | C2 | C3 | H12 | 0.7° | 0.0° |
| CL1 | C2 | C7 | H14 | 0.6° | 0.1° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 0.5° | 0.0° |
| C2 | C3 | C4 | C10 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C7 | H14 | 179.5° | 180.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C7 | C6 | H14 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.4° | 0.1° |
| C7 | C2 | C3 | H12 | 179.5° | 180.0° |
| C2 | C7 | C6 | H13 | 179.6° | 180.0° |
| C3 | C4 | C10 | C5 | 179.1° | 179.9° |
| C3 | C4 | C10 | C9 | 163.9° | 162.8° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | C8 | 178.9° | 180.0° |
| C3 | C4 | C10 | H1 | 44.9° | 43.8° |
| C3 | C4 | C10 | H2 | 77.1° | 78.3° |
| C7 | C6 | C5 | C4 | 1.2° | 0.1° |
| C7 | C6 | C5 | H13 | 180.0° | 180.0° |
| C7 | C6 | C5 | C8 | 178.5° | 180.0° |
| C4 | C10 | C9 | H1 | 119.0° | 118.9° |
| C4 | C10 | C9 | H2 | 119.0° | 119.0° |
| C10 | C4 | C5 | C6 | 179.6° | 180.0° |
| C10 | C4 | C5 | C8 | 1.9° | 0.1° |
| C4 | C10 | C9 | C8 | 26.0° | 26.4° |
| C4 | C10 | C9 | N11 | 146.9° | 144.6° |
| C4 | C10 | H1 | H2 | 123.0° | 122.1° |
| C10 | C4 | C3 | H12 | 0.7° | 0.0° |
| C4 | C10 | C9 | H17 | 90.7° | 91.9° |
| C5 | C4 | C10 | C9 | 15.2° | 17.2° |
| C4 | C5 | C6 | C8 | 177.2° | 179.9° |
| C4 | C5 | C8 | C9 | 18.3° | 17.3° |
| C5 | C4 | C10 | H1 | 134.2° | 136.1° |
| C5 | C4 | C10 | H2 | 103.8° | 101.8° |
| C5 | C4 | C3 | H12 | 179.7° | 180.0° |
| C4 | C5 | C6 | H13 | 178.8° | 180.0° |
| C4 | C5 | C8 | H15 | 100.7° | 101.7° |
| C4 | C5 | C8 | H16 | 137.2° | 136.2° |
| C10 | C9 | C8 | C5 | 27.0° | 26.4° |
| C10 | C9 | C8 | N11 | 122.9° | 118.2° |
| C10 | C9 | C8 | H17 | 116.5° | 118.2° |
| C10 | C9 | N11 | H17 | 121.8° | 123.5° |
| C10 | C9 | N11 | C12 | 101.6° | 155.0° |
| C9 | C10 | H1 | H2 | 123.0° | 122.1° |
| C10 | C9 | C8 | H15 | 92.0° | 92.6° |
| C10 | C9 | C8 | H16 | 145.9° | 145.3° |
| C10 | C9 | N11 | H18 | 20.2° | 25.0° |
| C6 | C5 | C8 | C9 | 164.3° | 162.8° |
| C5 | C6 | C7 | H14 | 179.6° | 180.0° |
| C6 | C5 | C8 | H15 | 76.8° | 78.3° |
| C6 | C5 | C8 | H16 | 45.3° | 43.8° |
| C5 | C8 | C9 | H15 | 119.0° | 119.0° |
| C5 | C8 | C9 | H16 | 119.0° | 118.9° |
| C5 | C8 | C9 | N11 | 149.8° | 144.6° |
| C8 | C5 | C6 | H13 | 1.5° | 0.0° |
| C5 | C8 | H15 | H16 | 123.0° | 122.0° |
| C5 | C8 | C9 | H17 | 89.5° | 91.8° |
| C8 | C9 | N11 | H17 | 120.1° | 123.6° |
| C8 | C9 | N11 | C12 | 140.2° | 92.1° |
| C8 | C9 | C10 | H1 | 144.9° | 145.3° |
| C8 | C9 | C10 | H2 | 93.0° | 92.6° |
| C9 | C8 | H15 | H16 | 123.0° | 122.2° |
| C8 | C9 | N11 | H18 | 97.9° | 88.0° |
| C9 | N11 | C12 | H18 | 121.9° | 180.0° |
| C9 | N11 | C12 | N13 | 179.9° | 0.0° |
| C9 | N11 | C12 | N20 | 0.2° | 180.0° |
| N11 | C9 | C10 | H1 | 94.1° | 96.5° |
| N11 | C9 | C10 | H2 | 28.0° | 25.6° |
| N11 | C9 | C8 | H15 | 30.9° | 25.6° |
| N11 | C9 | C8 | H16 | 91.2° | 96.5° |
| N11 | C12 | N13 | N20 | 179.9° | 180.0° |
| N11 | C12 | N13 | C14 | 179.6° | 180.0° |
| N11 | C12 | N20 | C19 | 179.6° | 179.9° |
| C12 | N11 | C9 | H17 | 20.1° | 31.5° |
| N13 | C12 | N20 | C19 | 0.5° | 0.1° |
| C12 | N13 | C14 | C15 | 0.5° | 0.2° |
| N13 | C12 | N11 | H18 | 58.3° | 180.0° |
| C12 | N13 | C14 | H19 | 179.5° | 179.8° |
| N20 | C12 | N13 | C14 | 0.3° | 0.0° |
| C12 | N20 | C19 | C15 | 1.2° | 0.0° |
| C12 | N20 | C19 | C18 | 179.6° | 180.0° |
| N20 | C12 | N11 | H18 | 121.7° | 0.1° |
| N13 | C14 | C15 | H19 | 180.0° | 180.0° |
| N13 | C14 | C15 | C19 | 0.1° | 0.3° |
| N13 | C14 | C15 | C16 | 178.7° | 180.0° |
| N20 | C19 | C15 | C14 | 1.0° | 0.2° |
| N20 | C19 | C15 | C18 | 178.7° | 180.0° |
| N20 | C19 | C15 | C16 | 179.9° | 180.0° |
| N20 | C19 | C18 | N17 | 171.3° | 180.0° |
| N20 | C19 | C18 | H5 | 69.8° | 60.4° |
| N20 | C19 | C18 | H6 | 52.5° | 60.5° |
| C14 | C15 | C19 | C16 | 178.9° | 179.8° |
| C14 | C15 | C19 | C18 | 179.7° | 179.8° |
| C14 | C15 | C16 | N17 | 171.9° | 179.7° |
| C14 | C15 | C16 | H3 | 53.5° | 60.2° |
| C14 | C15 | C16 | H4 | 69.6° | 60.7° |
| C15 | C19 | C18 | N17 | 7.3° | 0.0° |
| C19 | C15 | C16 | N17 | 9.5° | 0.0° |
| C19 | C15 | C16 | H3 | 127.9° | 119.5° |
| C19 | C15 | C16 | H4 | 109.0° | 119.6° |
| C15 | C19 | C18 | H5 | 111.5° | 119.5° |
| C15 | C19 | C18 | H6 | 126.2° | 119.6° |
| C19 | C15 | C14 | H19 | 179.9° | 179.7° |
| C18 | C19 | C15 | C16 | 1.4° | 0.0° |
| C19 | C18 | N17 | H5 | 118.9° | 119.6° |
| C19 | C18 | N17 | H6 | 118.9° | 119.6° |
| C19 | C18 | N17 | C16 | 14.2° | 0.0° |
| C19 | C18 | N17 | S21 | 176.0° | 180.0° |
| C19 | C18 | H5 | H6 | 123.3° | 120.9° |
| C15 | C16 | N17 | C18 | 14.6° | 0.0° |
| C15 | C16 | N17 | H3 | 118.5° | 119.5° |
| C15 | C16 | N17 | H4 | 118.5° | 119.6° |
| C15 | C16 | N17 | S21 | 176.5° | 180.0° |
| C15 | C16 | H3 | H4 | 124.3° | 120.9° |
| C16 | C15 | C14 | H19 | 1.3° | 0.0° |
| C18 | N17 | C16 | S21 | 161.9° | 179.9° |
| C18 | N17 | S21 | O26 | 34.8° | 26.0° |
| C18 | N17 | S21 | O27 | 163.4° | 153.9° |
| C18 | N17 | S21 | C22 | 74.4° | 90.0° |
| C18 | N17 | C16 | H3 | 133.1° | 119.6° |
| C18 | N17 | C16 | H4 | 103.9° | 119.6° |
| N17 | C18 | H5 | H6 | 123.3° | 120.9° |
| C16 | N17 | S21 | O26 | 164.8° | 153.9° |
| C16 | N17 | S21 | O27 | 36.3° | 26.0° |
| C16 | N17 | S21 | C22 | 86.0° | 90.1° |
| N17 | C16 | H3 | H4 | 124.3° | 120.9° |
| C16 | N17 | C18 | H5 | 104.7° | 119.5° |
| C16 | N17 | C18 | H6 | 133.0° | 119.6° |
| N17 | S21 | O26 | O27 | 121.5° | 116.8° |
| N17 | S21 | O26 | C22 | 115.0° | 111.7° |
| N17 | S21 | O27 | C22 | 120.4° | 111.7° |
| N17 | S21 | C22 | C23 | 68.0° | 180.0° |
| N17 | S21 | C22 | C25 | 164.5° | 83.8° |
| S21 | N17 | C16 | H3 | 65.0° | 60.5° |
| S21 | N17 | C16 | H4 | 58.0° | 60.4° |
| S21 | N17 | C18 | H5 | 57.1° | 60.4° |
| S21 | N17 | C18 | H6 | 65.1° | 60.5° |
| N17 | S21 | C22 | H7 | 61.8° | 48.1° |
| O26 | S21 | O27 | C22 | 117.7° | 131.5° |
| O26 | S21 | C22 | C23 | 178.5° | 68.4° |
| O26 | S21 | C22 | C25 | 82.0° | 164.6° |
| O26 | S21 | C22 | H7 | 51.8° | 63.5° |
| O27 | S21 | C22 | C23 | 50.9° | 68.4° |
| O27 | S21 | C22 | C25 | 45.6° | 27.8° |
| O27 | S21 | C22 | H7 | 179.4° | 159.7° |
| S21 | C22 | C23 | C25 | 119.3° | 114.2° |
| S21 | C22 | C23 | H7 | 128.1° | 131.6° |
| S21 | C22 | C25 | H7 | 132.5° | 131.5° |
| S21 | C22 | C23 | O24 | 107.7° | 136.8° |
| S21 | C22 | C25 | O24 | 103.2° | 136.8° |
| S21 | C22 | C23 | H8 | 9.2° | 22.7° |
| S21 | C22 | C23 | H9 | 135.4° | 109.1° |
| S21 | C22 | C25 | H10 | 140.0° | 109.1° |
| S21 | C22 | C25 | H11 | 13.7° | 22.7° |
| C23 | C22 | C25 | H7 | 112.8° | 114.3° |
| C22 | C23 | O24 | H8 | 117.0° | 114.1° |
| C22 | C23 | O24 | H9 | 116.9° | 114.2° |
| C23 | C22 | C25 | O24 | 11.5° | 22.6° |
| C22 | C23 | H8 | H9 | 128.3° | 132.1° |
| C23 | C22 | C25 | H10 | 105.3° | 136.7° |
| C23 | C22 | C25 | H11 | 128.4° | 91.6° |
| C22 | C25 | O24 | H10 | 116.8° | 114.2° |
| C22 | C25 | O24 | H11 | 116.8° | 114.2° |
| C25 | C22 | C23 | H8 | 128.5° | 91.5° |
| C25 | C22 | C23 | H9 | 105.4° | 136.7° |
| C22 | C25 | H10 | H11 | 128.6° | 132.2° |
| O24 | C23 | C22 | H7 | 124.2° | 91.7° |
| O24 | C23 | H8 | H9 | 128.3° | 132.1° |
| C23 | O24 | C25 | H10 | 104.6° | 138.4° |
| C23 | O24 | C25 | H11 | 129.1° | 90.0° |
| O24 | C25 | C22 | H7 | 124.3° | 91.7° |
| C25 | O24 | C23 | H8 | 129.3° | 89.9° |
| C25 | O24 | C23 | H9 | 104.6° | 138.4° |
| O24 | C25 | H10 | H11 | 128.6° | 132.0° |
| H1 | C10 | C9 | H17 | 28.3° | 27.0° |
| H2 | C10 | C9 | H17 | 150.4° | 149.1° |
| H7 | C22 | C23 | H8 | 118.9° | 154.2° |
| H7 | C22 | C23 | H9 | 7.2° | 22.5° |
| H7 | C22 | C25 | H10 | 7.5° | 22.4° |
| H7 | C22 | C25 | H11 | 118.8° | 154.2° |
| H13 | C6 | C7 | H14 | 0.4° | 0.1° |
| H15 | C8 | C9 | H17 | 151.5° | 149.2° |
| H16 | C8 | C9 | H17 | 29.5° | 27.0° |
| H17 | C9 | N11 | H18 | 142.0° | 148.5° |
