ZI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C23 | sing | 1.44Å | 1.44Å | |
| O24 | C25 | sing | 1.44Å | 1.44Å | |
| C23 | C15 | sing | 1.54Å | 1.46Å | |
| C25 | C15 | sing | 1.54Å | 1.45Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.46Å | |
| C15 | N14 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | C22 | doub | 1.38Å | 1.50Å | Aromatic |
| N14 | C13 | sing | 1.35Å | 1.46Å | |
| C19 | CL20 | sing | 1.74Å | 1.70Å | |
| C19 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | O26 | doub | 1.22Å | 1.24Å | |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C12 | doub | 1.40Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.53Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.46Å | Aromatic |
| C11 | C30 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C10 | sing | 1.39Å | 1.48Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C10 | N9 | sing | 1.40Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C32 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C8 | sing | 1.35Å | 1.49Å | |
| C8 | C33 | sing | 1.51Å | 1.54Å | |
| C8 | O7 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| N14 | H5 | sing | 0.97Å | 1.00Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O24 | C25 | 88.4° | 93.4° |
| O24 | C23 | C15 | 88.1° | 85.5° |
| O24 | C23 | H7 | 114.5° | 113.8° |
| O24 | C23 | H8 | 114.5° | 114.0° |
| O24 | C25 | C15 | 88.1° | 85.4° |
| O24 | C25 | H9 | 114.5° | 113.9° |
| O24 | C25 | H10 | 114.5° | 113.8° |
| C23 | C15 | C25 | 87.5° | 86.0° |
| C23 | C15 | C16 | 119.3° | 113.9° |
| C23 | C15 | N14 | 105.8° | 113.8° |
| C15 | C23 | H7 | 114.5° | 113.9° |
| C15 | C23 | H8 | 114.5° | 113.9° |
| C25 | C15 | C16 | 121.6° | 113.8° |
| C25 | C15 | N14 | 112.4° | 113.8° |
| C15 | C25 | H9 | 114.5° | 114.0° |
| C15 | C25 | H10 | 114.5° | 113.8° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C17 | C18 | C19 | 118.9° | 120.0° |
| C18 | C17 | H1 | 119.8° | 119.9° |
| C17 | C18 | H6 | 120.5° | 120.1° |
| C17 | C16 | C15 | 116.9° | 119.9° |
| C17 | C16 | C22 | 120.5° | 120.0° |
| C16 | C17 | H1 | 119.8° | 120.0° |
| C16 | C15 | N14 | 108.3° | 113.0° |
| C15 | C16 | C22 | 122.6° | 120.0° |
| C15 | N14 | C13 | 122.3° | 120.0° |
| C15 | N14 | H5 | 118.8° | 120.0° |
| C18 | C19 | CL20 | 117.1° | 120.0° |
| C18 | C19 | C21 | 122.1° | 120.0° |
| C19 | C18 | H6 | 120.5° | 120.0° |
| C16 | C22 | C21 | 118.9° | 120.1° |
| C16 | C22 | H3 | 120.5° | 120.0° |
| N14 | C13 | O26 | 118.3° | 120.0° |
| N14 | C13 | C12 | 119.1° | 120.0° |
| C13 | N14 | H5 | 118.8° | 120.0° |
| CL20 | C19 | C21 | 120.6° | 120.0° |
| C19 | C21 | C22 | 119.1° | 119.9° |
| C19 | C21 | H2 | 120.5° | 120.0° |
| O26 | C13 | C12 | 122.5° | 120.0° |
| C13 | C12 | C27 | 117.5° | 120.0° |
| C13 | C12 | C11 | 123.5° | 120.0° |
| C22 | C21 | H2 | 120.4° | 120.0° |
| C21 | C22 | H3 | 120.5° | 119.9° |
| C12 | C27 | C28 | 120.7° | 120.0° |
| C27 | C12 | C11 | 119.0° | 120.0° |
| C12 | C27 | H11 | 119.6° | 119.9° |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C27 | C28 | H4 | 120.1° | 119.9° |
| C28 | C27 | H11 | 119.6° | 120.1° |
| C12 | C11 | C30 | 125.3° | 118.9° |
| C12 | C11 | C10 | 120.2° | 119.4° |
| C28 | C29 | C10 | 120.2° | 120.4° |
| C29 | C28 | H4 | 120.0° | 120.0° |
| C28 | C29 | H12 | 119.9° | 119.9° |
| C30 | C11 | C10 | 114.3° | 121.6° |
| C11 | C30 | C31 | 110.1° | 110.5° |
| C11 | C30 | H13 | 109.3° | 109.3° |
| C11 | C30 | H14 | 109.3° | 109.3° |
| C11 | C10 | C29 | 119.6° | 120.1° |
| C11 | C10 | N9 | 115.9° | 120.8° |
| C29 | C10 | N9 | 123.2° | 119.1° |
| C10 | C29 | H12 | 119.9° | 119.8° |
| C30 | C31 | C32 | 111.3° | 108.8° |
| C31 | C30 | H13 | 109.3° | 109.3° |
| C31 | C30 | H14 | 109.3° | 109.2° |
| C30 | C31 | H15 | 109.0° | 109.6° |
| C30 | C31 | H16 | 109.0° | 109.6° |
| C10 | N9 | C32 | 116.2° | 118.9° |
| C10 | N9 | C8 | 124.0° | 120.6° |
| C31 | C32 | N9 | 110.9° | 107.7° |
| C32 | C31 | H15 | 109.0° | 109.6° |
| C32 | C31 | H16 | 109.0° | 109.6° |
| C31 | C32 | H17 | 109.1° | 109.8° |
| C31 | C32 | H18 | 109.1° | 109.8° |
| C32 | N9 | C8 | 119.7° | 120.5° |
| N9 | C32 | H17 | 109.1° | 109.8° |
| N9 | C32 | H18 | 109.1° | 109.8° |
| N9 | C8 | C33 | 122.3° | 120.0° |
| N9 | C8 | O7 | 118.7° | 120.0° |
| C33 | C8 | O7 | 118.7° | 120.0° |
| C8 | C33 | C34 | 115.9° | 109.4° |
| C8 | C33 | H19 | 107.9° | 109.5° |
| C8 | C33 | H20 | 107.8° | 109.5° |
| C34 | C33 | H19 | 107.8° | 109.4° |
| C34 | C33 | H20 | 107.9° | 109.5° |
| C33 | C34 | H21 | 109.5° | 109.5° |
| C33 | C34 | H22 | 109.4° | 109.5° |
| C33 | C34 | H23 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.5° | 113.0° |
| H9 | C25 | H10 | 109.5° | 113.1° |
| H13 | C30 | H14 | 109.5° | 109.3° |
| H15 | C31 | H16 | 109.5° | 109.7° |
| H17 | C32 | H18 | 109.5° | 109.8° |
| H19 | C33 | H20 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.4° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C23 | C15 | H7 | 116.2° | 114.1° |
| O24 | C23 | C15 | H8 | 116.2° | 114.3° |
| C23 | O24 | C25 | C15 | 21.3° | 24.0° |
| O24 | C23 | C15 | C16 | 104.1° | 136.8° |
| O24 | C23 | C15 | N14 | 133.7° | 91.8° |
| O24 | C23 | H7 | H8 | 130.2° | 132.1° |
| C23 | O24 | C25 | H9 | 137.5° | 138.3° |
| C23 | O24 | C25 | H10 | 94.8° | 90.0° |
| O24 | C25 | C15 | H9 | 116.2° | 114.1° |
| O24 | C25 | C15 | H10 | 116.2° | 114.1° |
| O24 | C25 | C15 | C16 | 102.2° | 136.8° |
| O24 | C25 | C15 | N14 | 127.1° | 91.8° |
| C25 | O24 | C23 | H7 | 94.9° | 90.1° |
| C25 | O24 | C23 | H8 | 137.4° | 138.3° |
| O24 | C25 | H9 | H10 | 130.2° | 132.1° |
| C23 | C15 | C25 | C16 | 123.3° | 114.4° |
| C23 | C15 | C25 | N14 | 106.1° | 114.3° |
| C23 | C15 | C16 | C17 | 49.2° | 14.2° |
| C23 | C15 | C16 | N14 | 121.0° | 131.8° |
| C23 | C15 | C16 | C22 | 128.7° | 165.9° |
| C23 | C15 | N14 | C13 | 140.6° | 75.7° |
| C23 | C15 | N14 | H5 | 39.5° | 104.3° |
| C15 | C23 | H7 | H8 | 130.2° | 132.0° |
| C23 | C15 | C25 | H9 | 137.2° | 136.6° |
| C23 | C15 | C25 | H10 | 95.1° | 91.6° |
| C25 | C15 | C16 | C17 | 57.5° | 82.2° |
| C25 | C15 | C16 | N14 | 132.4° | 131.8° |
| C25 | C15 | C16 | C22 | 124.6° | 97.7° |
| C25 | C15 | N14 | C13 | 46.7° | 172.1° |
| C25 | C15 | N14 | H5 | 133.3° | 7.9° |
| C25 | C15 | C23 | H7 | 95.0° | 91.6° |
| C25 | C15 | C23 | H8 | 137.3° | 136.8° |
| C15 | C25 | H9 | H10 | 130.2° | 132.1° |
| C18 | C17 | C16 | H1 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 179.0° | 180.0° |
| C17 | C18 | C19 | H6 | 180.0° | 179.9° |
| C18 | C17 | C16 | C22 | 3.0° | 0.0° |
| C17 | C18 | C19 | CL20 | 173.9° | 180.0° |
| C17 | C18 | C19 | C21 | 1.0° | 0.0° |
| C17 | C16 | C15 | C22 | 177.9° | 179.9° |
| C17 | C16 | C15 | N14 | 170.1° | 146.0° |
| C16 | C17 | C18 | C19 | 2.8° | 0.0° |
| C17 | C16 | C22 | C21 | 1.2° | 0.1° |
| C17 | C16 | C22 | H3 | 178.7° | 179.9° |
| C16 | C17 | C18 | H6 | 177.2° | 179.9° |
| C16 | C15 | N14 | C13 | 90.4° | 56.1° |
| C15 | C16 | C22 | C21 | 179.1° | 180.0° |
| C15 | C16 | C17 | H1 | 0.9° | 0.3° |
| C15 | C16 | C22 | H3 | 0.9° | 0.0° |
| C16 | C15 | N14 | H5 | 89.5° | 123.9° |
| C16 | C15 | C23 | H7 | 139.7° | 22.7° |
| C16 | C15 | C23 | H8 | 12.1° | 108.9° |
| C16 | C15 | C25 | H9 | 14.0° | 109.1° |
| C16 | C15 | C25 | H10 | 141.6° | 22.7° |
| N14 | C15 | C16 | C22 | 7.8° | 34.1° |
| C15 | N14 | C13 | H5 | 180.0° | 180.0° |
| C15 | N14 | C13 | O26 | 1.6° | 4.9° |
| C15 | N14 | C13 | C12 | 179.1° | 175.1° |
| N14 | C15 | C23 | H7 | 17.5° | 154.1° |
| N14 | C15 | C23 | H8 | 110.1° | 22.5° |
| N14 | C15 | C25 | H9 | 116.7° | 22.3° |
| N14 | C15 | C25 | H10 | 11.0° | 154.1° |
| C18 | C19 | CL20 | C21 | 174.9° | 180.0° |
| C18 | C19 | C21 | C22 | 0.8° | 0.0° |
| C19 | C18 | C17 | H1 | 177.2° | 179.7° |
| C18 | C19 | C21 | H2 | 179.2° | 180.0° |
| C16 | C22 | C21 | C19 | 0.6° | 0.1° |
| C16 | C22 | C21 | H3 | 180.0° | 180.0° |
| C22 | C16 | C17 | H1 | 177.0° | 179.8° |
| C16 | C22 | C21 | H2 | 179.4° | 180.0° |
| N14 | C13 | O26 | C12 | 179.3° | 180.0° |
| N14 | C13 | C12 | C27 | 20.6° | 6.6° |
| N14 | C13 | C12 | C11 | 157.0° | 173.4° |
| CL20 | C19 | C21 | C22 | 175.4° | 180.0° |
| CL20 | C19 | C21 | H2 | 4.6° | 0.0° |
| CL20 | C19 | C18 | H6 | 6.1° | 0.1° |
| C19 | C21 | C22 | H2 | 180.0° | 179.9° |
| C19 | C21 | C22 | H3 | 179.4° | 179.9° |
| C21 | C19 | C18 | H6 | 179.0° | 180.0° |
| O26 | C13 | C12 | C27 | 160.2° | 173.4° |
| O26 | C13 | C12 | C11 | 22.2° | 6.6° |
| O26 | C13 | N14 | H5 | 178.3° | 175.1° |
| C13 | C12 | C27 | C11 | 177.7° | 180.0° |
| C13 | C12 | C27 | C28 | 178.8° | 180.0° |
| C13 | C12 | C11 | C30 | 8.1° | 0.2° |
| C13 | C12 | C11 | C10 | 177.9° | 179.9° |
| C12 | C13 | N14 | H5 | 1.0° | 4.9° |
| C13 | C12 | C27 | H11 | 1.2° | 0.1° |
| C12 | C27 | C28 | H11 | 180.0° | 180.0° |
| C12 | C27 | C28 | C29 | 1.1° | 0.3° |
| C27 | C12 | C11 | C30 | 174.3° | 179.8° |
| C27 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C27 | C28 | H4 | 178.9° | 179.8° |
| C28 | C27 | C12 | C11 | 3.4° | 0.0° |
| C27 | C28 | C29 | H4 | 180.0° | 179.5° |
| C27 | C28 | C29 | C10 | 4.2° | 0.5° |
| C27 | C28 | C29 | H12 | 175.9° | 180.0° |
| C12 | C11 | C30 | C10 | 174.3° | 179.9° |
| C12 | C11 | C10 | C29 | 4.9° | 0.1° |
| C12 | C11 | C30 | C31 | 123.2° | 159.5° |
| C12 | C11 | C10 | N9 | 172.4° | 179.8° |
| C11 | C12 | C27 | H11 | 176.6° | 180.0° |
| C12 | C11 | C30 | H13 | 116.7° | 80.2° |
| C12 | C11 | C30 | H14 | 3.1° | 39.3° |
| C28 | C29 | C10 | C11 | 7.2° | 0.4° |
| C28 | C29 | C10 | H12 | 180.0° | 179.5° |
| C28 | C29 | C10 | N9 | 173.7° | 179.9° |
| C29 | C28 | C27 | H11 | 178.8° | 179.7° |
| C30 | C11 | C10 | C29 | 169.8° | 180.0° |
| C11 | C30 | C31 | H13 | 120.1° | 120.3° |
| C11 | C30 | C31 | H14 | 120.1° | 120.3° |
| C30 | C11 | C10 | N9 | 2.2° | 0.3° |
| C11 | C30 | C31 | C32 | 49.8° | 51.4° |
| C11 | C30 | H13 | H14 | 119.7° | 119.5° |
| C11 | C30 | C31 | H15 | 170.1° | 171.1° |
| C11 | C30 | C31 | H16 | 70.5° | 68.5° |
| C11 | C10 | C29 | N9 | 166.6° | 179.7° |
| C10 | C11 | C30 | C31 | 51.1° | 20.6° |
| C11 | C10 | N9 | C32 | 50.2° | 13.4° |
| C11 | C10 | N9 | C8 | 133.5° | 166.7° |
| C11 | C10 | C29 | H12 | 172.8° | 179.9° |
| C10 | C11 | C30 | H13 | 69.0° | 99.7° |
| C10 | C11 | C30 | H14 | 171.2° | 140.8° |
| C29 | C10 | N9 | C32 | 116.8° | 166.9° |
| C29 | C10 | N9 | C8 | 59.5° | 13.0° |
| C10 | C29 | C28 | H4 | 175.8° | 180.0° |
| C30 | C31 | C32 | H15 | 120.3° | 119.8° |
| C30 | C31 | C32 | H16 | 120.3° | 119.9° |
| C30 | C31 | C32 | N9 | 3.2° | 63.2° |
| C31 | C30 | H13 | H14 | 119.7° | 119.5° |
| C30 | C31 | H15 | H16 | 119.1° | 120.3° |
| C30 | C31 | C32 | H17 | 117.0° | 177.2° |
| C30 | C31 | C32 | H18 | 123.4° | 56.3° |
| C10 | N9 | C32 | C31 | 47.5° | 44.6° |
| C10 | N9 | C32 | C8 | 176.5° | 180.0° |
| C10 | N9 | C8 | C33 | 3.3° | 174.1° |
| C10 | N9 | C8 | O7 | 170.2° | 6.3° |
| N9 | C10 | C29 | H12 | 6.3° | 0.4° |
| C10 | N9 | C32 | H17 | 167.8° | 164.2° |
| C10 | N9 | C32 | H18 | 72.7° | 75.0° |
| C31 | C32 | N9 | H17 | 120.2° | 119.6° |
| C31 | C32 | N9 | H18 | 120.2° | 119.6° |
| C31 | C32 | N9 | C8 | 136.0° | 135.4° |
| C32 | C31 | C30 | H13 | 70.3° | 68.9° |
| C32 | C31 | C30 | H14 | 169.9° | 171.6° |
| C32 | C31 | H15 | H16 | 119.1° | 120.4° |
| C31 | C32 | H17 | H18 | 119.3° | 120.9° |
| C32 | N9 | C8 | C33 | 179.5° | 5.9° |
| C32 | N9 | C8 | O7 | 6.0° | 173.8° |
| N9 | C32 | C31 | H15 | 123.5° | 177.0° |
| N9 | C32 | C31 | H16 | 117.1° | 56.6° |
| N9 | C32 | H17 | H18 | 119.4° | 120.8° |
| N9 | C8 | C33 | O7 | 173.4° | 179.7° |
| N9 | C8 | C33 | C34 | 96.6° | 179.7° |
| C8 | N9 | C32 | H17 | 15.7° | 15.8° |
| C8 | N9 | C32 | H18 | 103.9° | 105.0° |
| N9 | C8 | C33 | H19 | 142.5° | 60.4° |
| N9 | C8 | C33 | H20 | 24.4° | 59.7° |
| C8 | C33 | C34 | H19 | 120.9° | 120.0° |
| C8 | C33 | C34 | H20 | 120.9° | 120.0° |
| C8 | C33 | H19 | H20 | 117.1° | 120.1° |
| C8 | C33 | C34 | H21 | 180.0° | 180.0° |
| C8 | C33 | C34 | H22 | 60.0° | 60.0° |
| C8 | C33 | C34 | H23 | 60.0° | 60.0° |
| O7 | C8 | C33 | C34 | 90.0° | 0.0° |
| O7 | C8 | C33 | H19 | 31.0° | 120.0° |
| O7 | C8 | C33 | H20 | 149.1° | 120.0° |
| C34 | C33 | H19 | H20 | 117.1° | 120.0° |
| C33 | C34 | H21 | H22 | 120.0° | 120.0° |
| C33 | C34 | H21 | H23 | 120.0° | 120.0° |
| C33 | C34 | H22 | H23 | 120.0° | 120.0° |
| H1 | C17 | C18 | H6 | 2.8° | 0.2° |
| H2 | C21 | C22 | H3 | 0.6° | 0.0° |
| H4 | C28 | C27 | H11 | 1.2° | 0.2° |
| H4 | C28 | C29 | H12 | 4.1° | 0.5° |
| H13 | C30 | C31 | H15 | 50.0° | 50.9° |
| H13 | C30 | C31 | H16 | 169.4° | 171.2° |
| H14 | C30 | C31 | H15 | 69.8° | 68.6° |
| H14 | C30 | C31 | H16 | 49.6° | 51.8° |
| H15 | C31 | C32 | H17 | 3.3° | 57.5° |
| H15 | C31 | C32 | H18 | 116.3° | 63.4° |
| H16 | C31 | C32 | H17 | 122.7° | 62.9° |
| H16 | C31 | C32 | H18 | 3.1° | 176.2° |
| H19 | C33 | C34 | H21 | 59.0° | 60.0° |
| H19 | C33 | C34 | H22 | 179.1° | 180.0° |
| H19 | C33 | C34 | H23 | 60.9° | 60.0° |
| H20 | C33 | C34 | H21 | 59.1° | 60.0° |
| H20 | C33 | C34 | H22 | 60.9° | 60.0° |
| H20 | C33 | C34 | H23 | 179.1° | 180.0° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
