DZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C15 | sing | 1.35Å | 1.46Å | |
| C15 | O03 | doub | 1.21Å | 1.18Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N05 | sing | 1.47Å | 1.19Å | |
| N05 | C11 | sing | 1.47Å | 1.46Å | |
| N05 | C12 | sing | 1.47Å | 1.45Å | |
| C11 | C09 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.43Å | |
| C10 | C08 | sing | 1.53Å | 1.47Å | |
| CL1 | C24 | sing | 1.74Å | 1.78Å | |
| C08 | C13 | sing | 1.53Å | 1.63Å | |
| C13 | N06 | sing | 1.47Å | 1.45Å | |
| N06 | C17 | sing | 1.35Å | 1.45Å | |
| C22 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.48Å | 1.52Å | |
| C17 | O04 | doub | 1.22Å | 1.18Å | |
| C21 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | F02 | sing | 1.35Å | 1.35Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| N06 | H27 | sing | 0.97Å | 1.00Å | |
| N07 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C16 | C18 | 107.6° | 109.5° |
| C19 | C16 | C20 | 108.4° | 109.5° |
| C19 | C16 | N07 | 106.1° | 109.4° |
| C16 | C19 | H17 | 109.5° | 109.4° |
| C16 | C19 | H18 | 109.5° | 109.4° |
| C16 | C19 | H19 | 109.5° | 109.5° |
| C18 | C16 | C20 | 108.7° | 109.5° |
| C18 | C16 | N07 | 112.1° | 109.5° |
| C16 | C18 | H14 | 109.5° | 109.4° |
| C16 | C18 | H15 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.5° | 109.5° |
| C20 | C16 | N07 | 113.8° | 109.5° |
| C16 | C20 | H20 | 109.5° | 109.5° |
| C16 | C20 | H21 | 109.5° | 109.5° |
| C16 | C20 | H22 | 109.5° | 109.5° |
| C16 | N07 | C15 | 128.5° | 120.0° |
| C16 | N07 | H28 | 115.7° | 120.0° |
| N07 | C15 | O03 | 122.6° | 120.0° |
| N07 | C15 | C14 | 118.7° | 120.0° |
| C15 | N07 | H28 | 115.8° | 120.0° |
| O03 | C15 | C14 | 118.7° | 120.0° |
| C15 | C14 | N05 | 110.5° | 109.5° |
| C15 | C14 | H12 | 109.2° | 109.5° |
| C15 | C14 | H13 | 109.2° | 109.4° |
| C14 | N05 | C11 | 112.1° | 111.0° |
| C14 | N05 | C12 | 112.4° | 111.0° |
| N05 | C14 | H12 | 109.2° | 109.4° |
| N05 | C14 | H13 | 109.2° | 109.4° |
| C11 | N05 | C12 | 117.0° | 111.2° |
| N05 | C11 | C09 | 117.2° | 109.5° |
| N05 | C11 | H6 | 107.5° | 109.4° |
| N05 | C11 | H7 | 107.5° | 109.5° |
| N05 | C12 | C10 | 114.8° | 109.5° |
| N05 | C12 | H8 | 108.1° | 109.5° |
| N05 | C12 | H9 | 108.1° | 109.5° |
| C11 | C09 | C08 | 112.5° | 109.3° |
| C11 | C09 | H2 | 108.7° | 109.5° |
| C11 | C09 | H3 | 108.7° | 109.5° |
| C09 | C11 | H6 | 107.5° | 109.5° |
| C09 | C11 | H7 | 107.5° | 109.5° |
| C12 | C10 | C08 | 111.7° | 109.3° |
| C12 | C10 | H4 | 108.9° | 109.5° |
| C12 | C10 | H5 | 108.9° | 109.5° |
| C10 | C12 | H8 | 108.1° | 109.4° |
| C10 | C12 | H9 | 108.2° | 109.5° |
| C09 | C08 | C10 | 109.8° | 109.2° |
| C09 | C08 | C13 | 109.8° | 109.5° |
| C09 | C08 | H1 | 110.5° | 109.5° |
| C08 | C09 | H2 | 108.7° | 109.5° |
| C08 | C09 | H3 | 108.7° | 109.5° |
| C10 | C08 | C13 | 108.8° | 109.5° |
| C10 | C08 | H1 | 110.0° | 109.6° |
| C08 | C10 | H4 | 108.9° | 109.5° |
| C08 | C10 | H5 | 108.9° | 109.5° |
| CL1 | C24 | C22 | 120.6° | 119.9° |
| CL1 | C24 | C26 | 120.1° | 119.9° |
| C08 | C13 | N06 | 113.9° | 109.4° |
| C13 | C08 | H1 | 108.0° | 109.5° |
| C08 | C13 | H10 | 108.3° | 109.5° |
| C08 | C13 | H11 | 108.3° | 109.5° |
| C13 | N06 | C17 | 117.9° | 120.0° |
| N06 | C13 | H10 | 108.3° | 109.5° |
| N06 | C13 | H11 | 108.3° | 109.4° |
| C13 | N06 | H27 | 121.0° | 120.0° |
| N06 | C17 | C21 | 120.5° | 120.0° |
| N06 | C17 | O04 | 120.1° | 120.0° |
| C17 | N06 | H27 | 121.1° | 119.9° |
| C24 | C22 | C21 | 120.8° | 119.9° |
| C22 | C24 | C26 | 119.3° | 120.2° |
| C24 | C22 | H23 | 119.6° | 120.0° |
| C22 | C21 | C17 | 118.8° | 120.1° |
| C22 | C21 | C23 | 120.1° | 119.8° |
| C21 | C22 | H23 | 119.6° | 120.1° |
| C24 | C26 | C25 | 119.8° | 120.3° |
| C24 | C26 | H25 | 120.1° | 119.9° |
| C21 | C17 | O04 | 119.3° | 120.0° |
| C17 | C21 | C23 | 121.1° | 120.1° |
| C21 | C23 | C25 | 118.8° | 119.9° |
| C21 | C23 | H24 | 120.6° | 120.1° |
| C26 | C25 | C23 | 121.1° | 120.1° |
| C26 | C25 | F02 | 118.5° | 120.0° |
| C25 | C26 | H25 | 120.1° | 119.8° |
| C23 | C25 | F02 | 120.4° | 119.9° |
| C25 | C23 | H24 | 120.6° | 120.1° |
| H2 | C09 | H3 | 109.4° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.6° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C16 | C18 | C20 | 117.2° | 120.0° |
| C19 | C16 | C18 | N07 | 116.2° | 120.0° |
| C19 | C16 | C20 | N07 | 117.7° | 120.0° |
| C19 | C16 | N07 | C15 | 177.6° | 60.0° |
| C19 | C16 | C18 | H14 | 180.0° | 180.0° |
| C19 | C16 | C18 | H15 | 60.0° | 60.0° |
| C19 | C16 | C18 | H16 | 60.0° | 60.0° |
| C16 | C19 | H17 | H18 | 120.0° | 119.9° |
| C16 | C19 | H17 | H19 | 120.0° | 120.0° |
| C16 | C19 | H18 | H19 | 120.0° | 120.0° |
| C19 | C16 | C20 | H20 | 180.0° | 60.0° |
| C19 | C16 | C20 | H21 | 60.0° | 60.0° |
| C19 | C16 | C20 | H22 | 60.0° | 180.0° |
| C19 | C16 | N07 | H28 | 2.4° | 120.0° |
| C18 | C16 | C20 | N07 | 125.6° | 120.0° |
| C18 | C16 | N07 | C15 | 65.3° | 60.0° |
| C16 | C18 | H14 | H15 | 120.0° | 120.0° |
| C16 | C18 | H14 | H16 | 120.0° | 120.0° |
| C16 | C18 | H15 | H16 | 120.0° | 120.0° |
| C18 | C16 | C19 | H17 | 180.0° | 60.0° |
| C18 | C16 | C19 | H18 | 60.0° | 60.0° |
| C18 | C16 | C19 | H19 | 60.0° | 180.0° |
| C18 | C16 | C20 | H20 | 63.4° | 180.0° |
| C18 | C16 | C20 | H21 | 176.7° | 60.0° |
| C18 | C16 | C20 | H22 | 56.6° | 60.0° |
| C18 | C16 | N07 | H28 | 114.7° | 120.0° |
| C20 | C16 | N07 | C15 | 58.5° | 180.0° |
| C20 | C16 | C18 | H14 | 62.8° | 60.0° |
| C20 | C16 | C18 | H15 | 57.2° | 60.0° |
| C20 | C16 | C18 | H16 | 177.2° | 180.0° |
| C20 | C16 | C19 | H17 | 62.6° | 180.0° |
| C20 | C16 | C19 | H18 | 177.4° | 60.0° |
| C20 | C16 | C19 | H19 | 57.4° | 60.0° |
| C16 | C20 | H20 | H21 | 120.0° | 120.0° |
| C16 | C20 | H20 | H22 | 120.0° | 120.0° |
| C16 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C16 | N07 | H28 | 121.5° | 0.0° |
| C16 | N07 | C15 | H28 | 180.0° | 180.0° |
| C16 | N07 | C15 | O03 | 0.5° | 0.0° |
| C16 | N07 | C15 | C14 | 179.1° | 180.0° |
| N07 | C16 | C18 | H14 | 63.8° | 60.0° |
| N07 | C16 | C18 | H15 | 176.2° | 180.0° |
| N07 | C16 | C18 | H16 | 56.2° | 59.9° |
| N07 | C16 | C19 | H17 | 59.9° | 60.0° |
| N07 | C16 | C19 | H18 | 60.1° | 180.0° |
| N07 | C16 | C19 | H19 | 179.9° | 60.0° |
| N07 | C16 | C20 | H20 | 62.2° | 60.0° |
| N07 | C16 | C20 | H21 | 57.7° | 180.0° |
| N07 | C16 | C20 | H22 | 177.7° | 60.0° |
| N07 | C15 | O03 | C14 | 179.7° | 180.0° |
| N07 | C15 | C14 | N05 | 177.7° | 180.0° |
| N07 | C15 | C14 | H12 | 57.6° | 60.1° |
| N07 | C15 | C14 | H13 | 62.1° | 60.0° |
| O03 | C15 | C14 | N05 | 1.9° | 0.0° |
| O03 | C15 | C14 | H12 | 122.1° | 119.9° |
| O03 | C15 | C14 | H13 | 118.2° | 120.0° |
| O03 | C15 | N07 | H28 | 179.5° | 179.9° |
| C15 | C14 | N05 | H12 | 120.1° | 120.0° |
| C15 | C14 | N05 | H13 | 120.2° | 120.0° |
| C15 | C14 | N05 | C11 | 110.6° | 170.0° |
| C15 | C14 | N05 | C12 | 115.2° | 65.8° |
| C15 | C14 | H12 | H13 | 119.5° | 120.0° |
| C14 | C15 | N07 | H28 | 0.9° | 0.0° |
| C14 | N05 | C11 | C12 | 132.0° | 124.0° |
| C14 | N05 | C11 | C09 | 104.6° | 174.2° |
| C14 | N05 | C12 | C10 | 100.8° | 174.2° |
| C14 | N05 | C11 | H6 | 134.2° | 65.8° |
| C14 | N05 | C11 | H7 | 16.5° | 54.2° |
| C14 | N05 | C12 | H8 | 20.0° | 54.2° |
| C14 | N05 | C12 | H9 | 138.4° | 65.8° |
| N05 | C14 | H12 | H13 | 119.5° | 120.0° |
| N05 | C11 | C09 | H6 | 121.1° | 120.0° |
| N05 | C11 | C09 | H7 | 121.1° | 120.0° |
| C11 | N05 | C12 | C10 | 31.0° | 61.8° |
| N05 | C11 | C09 | C08 | 40.5° | 59.2° |
| N05 | C11 | C09 | H2 | 161.0° | 179.2° |
| N05 | C11 | C09 | H3 | 80.0° | 60.8° |
| N05 | C11 | H6 | H7 | 116.5° | 120.0° |
| C11 | N05 | C12 | H8 | 151.8° | 178.2° |
| C11 | N05 | C12 | H9 | 89.8° | 58.2° |
| C11 | N05 | C14 | H12 | 9.5° | 50.0° |
| C11 | N05 | C14 | H13 | 129.2° | 70.0° |
| C12 | N05 | C11 | C09 | 27.3° | 61.8° |
| N05 | C12 | C10 | H8 | 120.8° | 120.0° |
| N05 | C12 | C10 | H9 | 120.8° | 120.0° |
| N05 | C12 | C10 | C08 | 48.2° | 59.2° |
| N05 | C12 | C10 | H4 | 72.1° | 60.8° |
| N05 | C12 | C10 | H5 | 168.5° | 179.1° |
| C12 | N05 | C11 | H6 | 93.8° | 58.2° |
| C12 | N05 | C11 | H7 | 148.4° | 178.2° |
| N05 | C12 | H8 | H9 | 117.6° | 120.0° |
| C12 | N05 | C14 | H12 | 124.7° | 174.2° |
| C12 | N05 | C14 | H13 | 5.0° | 54.1° |
| C11 | C09 | C08 | H2 | 120.5° | 119.9° |
| C11 | C09 | C08 | H3 | 120.5° | 120.0° |
| C11 | C09 | C08 | C10 | 56.9° | 57.6° |
| C11 | C09 | C08 | C13 | 62.6° | 177.6° |
| C11 | C09 | C08 | H1 | 178.4° | 62.4° |
| C11 | C09 | H2 | H3 | 118.6° | 120.1° |
| C09 | C11 | H6 | H7 | 116.5° | 120.0° |
| C12 | C10 | C08 | C09 | 61.4° | 57.6° |
| C12 | C10 | C08 | H4 | 120.4° | 119.9° |
| C12 | C10 | C08 | H5 | 120.3° | 120.0° |
| C12 | C10 | C08 | C13 | 58.7° | 177.5° |
| C12 | C10 | C08 | H1 | 176.8° | 62.3° |
| C12 | C10 | H4 | H5 | 118.9° | 120.1° |
| C10 | C12 | H8 | H9 | 117.6° | 120.0° |
| C09 | C08 | C10 | C13 | 120.1° | 119.9° |
| C09 | C08 | C10 | H1 | 121.8° | 120.0° |
| C09 | C08 | C13 | H1 | 120.5° | 120.1° |
| C09 | C08 | C13 | N06 | 49.4° | 175.1° |
| C08 | C09 | H2 | H3 | 118.6° | 120.1° |
| C09 | C08 | C10 | H4 | 58.9° | 62.3° |
| C09 | C08 | C10 | H5 | 178.3° | 177.6° |
| C08 | C09 | C11 | H6 | 80.6° | 60.8° |
| C08 | C09 | C11 | H7 | 161.6° | 179.2° |
| C09 | C08 | C13 | H10 | 170.0° | 64.9° |
| C09 | C08 | C13 | H11 | 71.3° | 55.2° |
| C10 | C08 | C13 | H1 | 119.4° | 120.2° |
| C10 | C08 | C13 | N06 | 169.5° | 65.2° |
| C10 | C08 | C09 | H2 | 177.4° | 177.6° |
| C10 | C08 | C09 | H3 | 63.5° | 62.3° |
| C08 | C10 | H4 | H5 | 119.0° | 120.1° |
| C08 | C10 | C12 | H8 | 168.9° | 179.2° |
| C08 | C10 | C12 | H9 | 72.6° | 60.9° |
| C10 | C08 | C13 | H10 | 69.8° | 54.8° |
| C10 | C08 | C13 | H11 | 48.9° | 174.9° |
| CL1 | C24 | C22 | C26 | 180.0° | 180.0° |
| CL1 | C24 | C22 | C21 | 179.8° | 179.9° |
| CL1 | C24 | C26 | C25 | 179.8° | 179.8° |
| CL1 | C24 | C22 | H23 | 0.2° | 0.0° |
| CL1 | C24 | C26 | H25 | 0.1° | 0.1° |
| C08 | C13 | N06 | H10 | 120.7° | 120.0° |
| C08 | C13 | N06 | H11 | 120.7° | 120.0° |
| C08 | C13 | N06 | C17 | 168.0° | 180.0° |
| C13 | C08 | C09 | H2 | 57.9° | 62.5° |
| C13 | C08 | C09 | H3 | 176.9° | 57.6° |
| C13 | C08 | C10 | H4 | 179.1° | 57.6° |
| C13 | C08 | C10 | H5 | 61.6° | 62.5° |
| C08 | C13 | H10 | H11 | 118.0° | 120.1° |
| C08 | C13 | N06 | H27 | 12.0° | 0.0° |
| C13 | N06 | C17 | H27 | 180.0° | 180.0° |
| C13 | N06 | C17 | C21 | 179.4° | 180.0° |
| C13 | N06 | C17 | O04 | 1.0° | 0.0° |
| N06 | C13 | C08 | H1 | 71.1° | 55.0° |
| N06 | C13 | H10 | H11 | 118.0° | 119.9° |
| N06 | C17 | C21 | C22 | 21.1° | 0.3° |
| N06 | C17 | C21 | O04 | 178.4° | 180.0° |
| N06 | C17 | C21 | C23 | 159.6° | 180.0° |
| C17 | N06 | C13 | H10 | 47.4° | 60.0° |
| C17 | N06 | C13 | H11 | 71.3° | 60.0° |
| C24 | C22 | C21 | H23 | 180.0° | 179.9° |
| C24 | C22 | C21 | C17 | 179.3° | 180.0° |
| C24 | C22 | C21 | C23 | 0.0° | 0.3° |
| C22 | C24 | C26 | C25 | 0.2° | 0.2° |
| C22 | C24 | C26 | H25 | 179.8° | 180.0° |
| C21 | C22 | C24 | C26 | 0.2° | 0.1° |
| C22 | C21 | C17 | C23 | 179.3° | 179.7° |
| C22 | C21 | C17 | O04 | 157.2° | 179.7° |
| C22 | C21 | C23 | C25 | 0.2° | 0.3° |
| C22 | C21 | C23 | H24 | 179.8° | 179.6° |
| C24 | C26 | C25 | H25 | 180.0° | 179.8° |
| C24 | C26 | C25 | C23 | 0.1° | 0.2° |
| C24 | C26 | C25 | F02 | 179.9° | 179.6° |
| C26 | C24 | C22 | H23 | 179.7° | 180.0° |
| C17 | C21 | C23 | C25 | 179.5° | 180.0° |
| C17 | C21 | C22 | H23 | 0.8° | 0.1° |
| C17 | C21 | C23 | H24 | 0.5° | 0.1° |
| C21 | C17 | N06 | H27 | 0.6° | 0.1° |
| O04 | C17 | C21 | C23 | 22.1° | 0.0° |
| O04 | C17 | N06 | H27 | 179.0° | 180.0° |
| C21 | C23 | C25 | C26 | 0.3° | 0.0° |
| C21 | C23 | C25 | H24 | 180.0° | 179.9° |
| C21 | C23 | C25 | F02 | 179.9° | 179.9° |
| C23 | C21 | C22 | H23 | 179.9° | 179.8° |
| C26 | C25 | C23 | F02 | 179.8° | 179.9° |
| C26 | C25 | C23 | H24 | 179.7° | 179.9° |
| C23 | C25 | C26 | H25 | 179.9° | 180.0° |
| F02 | C25 | C23 | H24 | 0.1° | 0.0° |
| F02 | C25 | C26 | H25 | 0.1° | 0.1° |
| H1 | C08 | C09 | H2 | 61.1° | 57.6° |
| H1 | C08 | C09 | H3 | 58.0° | 177.7° |
| H1 | C08 | C10 | H4 | 62.9° | 177.7° |
| H1 | C08 | C10 | H5 | 56.5° | 57.6° |
| H1 | C08 | C13 | H10 | 49.5° | 175.0° |
| H1 | C08 | C13 | H11 | 168.2° | 64.9° |
| H2 | C09 | C11 | H6 | 39.9° | 59.2° |
| H2 | C09 | C11 | H7 | 77.9° | 60.8° |
| H3 | C09 | C11 | H6 | 158.9° | 179.2° |
| H3 | C09 | C11 | H7 | 41.1° | 59.2° |
| H4 | C10 | C12 | H8 | 48.6° | 59.3° |
| H4 | C10 | C12 | H9 | 167.1° | 179.2° |
| H5 | C10 | C12 | H8 | 70.7° | 60.8° |
| H5 | C10 | C12 | H9 | 47.8° | 59.1° |
| H10 | C13 | N06 | H27 | 132.6° | 120.0° |
| H11 | C13 | N06 | H27 | 108.7° | 120.0° |
| H14 | C18 | H15 | H16 | 119.9° | 120.0° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
