U1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N27 | C26 | doub | 1.31Å | 1.33Å | Aromatic |
| N27 | N02 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| N02 | C03 | sing | 1.35Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | doub | 1.35Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C08 | N09 | doub | 1.30Å | 1.34Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.34Å | Aromatic |
| N09 | C10 | sing | 1.35Å | 1.31Å | Aromatic |
| C06 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C17 | sing | 1.38Å | 1.33Å | Aromatic |
| C16 | N15 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.53Å | |
| C19 | C20 | doub | 1.37Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.53Å | |
| N15 | N13 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.33Å | Aromatic |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| C21 | C22 | sing | 1.43Å | 1.51Å | |
| C21 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | N23 | trip | 1.14Å | 1.13Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N27 | N02 | 107.8° | 108.2° |
| N27 | C26 | C04 | 107.9° | 108.2° |
| N27 | C26 | H19 | 126.1° | 125.9° |
| N27 | N02 | C01 | 124.4° | 126.0° |
| N27 | N02 | C03 | 109.5° | 107.9° |
| C26 | C04 | C05 | 125.1° | 126.1° |
| C26 | C04 | C03 | 107.4° | 107.9° |
| C04 | C26 | H19 | 126.1° | 125.9° |
| C01 | N02 | C03 | 126.1° | 126.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| N02 | C03 | C04 | 107.4° | 107.7° |
| N02 | C03 | H4 | 126.3° | 126.1° |
| C05 | C04 | C03 | 127.5° | 126.0° |
| C04 | C05 | C06 | 112.8° | 109.5° |
| C04 | C05 | H5 | 108.6° | 109.4° |
| C04 | C05 | H6 | 108.6° | 109.5° |
| C04 | C03 | H4 | 126.3° | 126.2° |
| C05 | C06 | N07 | 111.6° | 109.4° |
| C06 | C05 | H5 | 108.6° | 109.5° |
| C06 | C05 | H6 | 108.6° | 109.5° |
| C05 | C06 | H7 | 108.9° | 109.5° |
| C05 | C06 | H8 | 108.9° | 109.5° |
| N09 | C08 | N07 | 108.3° | 109.6° |
| C08 | N09 | C10 | 108.8° | 109.6° |
| N09 | C08 | H9 | 125.8° | 125.2° |
| C08 | N07 | C06 | 123.7° | 126.3° |
| C08 | N07 | C17 | 107.7° | 107.3° |
| N07 | C08 | H9 | 125.9° | 125.2° |
| N09 | C10 | C17 | 107.6° | 107.4° |
| N09 | C10 | C11 | 121.4° | 126.3° |
| C06 | N07 | C17 | 128.5° | 126.3° |
| N07 | C06 | H7 | 108.9° | 109.4° |
| N07 | C06 | H8 | 108.9° | 109.5° |
| N07 | C17 | C10 | 107.6° | 106.1° |
| N07 | C17 | C18 | 128.8° | 126.9° |
| N15 | C16 | C11 | 109.0° | 108.1° |
| C16 | N15 | N13 | 106.4° | 108.6° |
| N15 | C16 | H14 | 125.5° | 126.0° |
| C16 | C11 | C10 | 122.8° | 126.2° |
| C16 | C11 | C12 | 106.9° | 107.5° |
| C11 | C16 | H14 | 125.5° | 125.9° |
| C17 | C10 | C11 | 130.9° | 126.3° |
| C10 | C17 | C18 | 123.5° | 126.9° |
| C10 | C11 | C12 | 130.4° | 126.2° |
| C20 | C19 | C18 | 120.3° | 119.9° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | H15 | 119.9° | 120.1° |
| C19 | C20 | H16 | 120.1° | 119.9° |
| C19 | C18 | C17 | 119.1° | 120.0° |
| C19 | C18 | C25 | 119.1° | 120.0° |
| C18 | C19 | H15 | 119.8° | 120.0° |
| C17 | C18 | C25 | 121.7° | 120.0° |
| N15 | N13 | C12 | 110.8° | 108.2° |
| N15 | N13 | C14 | 123.1° | 125.9° |
| C11 | C12 | N13 | 106.9° | 107.6° |
| C11 | C12 | H10 | 126.6° | 126.2° |
| C20 | C21 | C22 | 119.1° | 120.0° |
| C20 | C21 | C24 | 120.6° | 120.0° |
| C21 | C20 | H16 | 120.1° | 120.0° |
| C18 | C25 | C24 | 120.8° | 120.0° |
| C18 | C25 | H18 | 119.6° | 120.0° |
| C12 | N13 | C14 | 126.0° | 125.9° |
| N13 | C12 | H10 | 126.5° | 126.2° |
| N13 | C14 | H11 | 109.5° | 109.5° |
| N13 | C14 | H12 | 109.5° | 109.5° |
| N13 | C14 | H13 | 109.5° | 109.5° |
| C22 | C21 | C24 | 120.3° | 120.0° |
| C21 | C22 | N23 | 179.0° | 179.9° |
| C21 | C24 | C25 | 119.5° | 120.0° |
| C21 | C24 | H17 | 120.2° | 120.0° |
| C25 | C24 | H17 | 120.3° | 120.0° |
| C24 | C25 | H18 | 119.6° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.4° |
| H7 | C06 | H8 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N27 | C26 | C04 | H19 | 180.0° | 179.9° |
| C26 | N27 | N02 | C01 | 180.0° | 179.7° |
| C26 | N27 | N02 | C03 | 0.6° | 0.4° |
| N27 | C26 | C04 | C05 | 180.0° | 180.0° |
| N27 | C26 | C04 | C03 | 0.5° | 0.0° |
| N02 | N27 | C26 | C04 | 0.0° | 0.3° |
| N27 | N02 | C01 | C03 | 179.3° | 179.8° |
| N27 | N02 | C03 | C04 | 0.9° | 0.4° |
| N27 | N02 | C01 | H1 | 0.0° | 89.9° |
| N27 | N02 | C01 | H2 | 120.0° | 30.1° |
| N27 | N02 | C01 | H3 | 120.0° | 150.1° |
| N27 | N02 | C03 | H4 | 179.1° | 179.9° |
| N02 | N27 | C26 | H19 | 180.0° | 179.8° |
| C26 | C04 | C03 | N02 | 0.8° | 0.3° |
| C26 | C04 | C05 | C03 | 179.4° | 179.9° |
| C26 | C04 | C05 | C06 | 105.0° | 89.9° |
| C26 | C04 | C03 | H4 | 179.2° | 179.9° |
| C26 | C04 | C05 | H5 | 15.5° | 30.0° |
| C26 | C04 | C05 | H6 | 134.5° | 150.0° |
| C01 | N02 | C03 | C04 | 179.8° | 179.7° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.2° | 0.0° |
| N02 | C03 | C04 | C05 | 179.6° | 179.7° |
| N02 | C03 | C04 | H4 | 180.0° | 179.7° |
| C03 | N02 | C01 | H1 | 179.3° | 90.0° |
| C03 | N02 | C01 | H2 | 59.3° | 150.1° |
| C03 | N02 | C01 | H3 | 60.7° | 30.0° |
| C04 | C05 | C06 | H5 | 120.5° | 120.0° |
| C04 | C05 | C06 | H6 | 120.5° | 120.0° |
| C04 | C05 | C06 | N07 | 60.6° | 178.4° |
| C05 | C04 | C03 | H4 | 0.4° | 0.0° |
| C04 | C05 | H5 | H6 | 118.5° | 120.0° |
| C04 | C05 | C06 | H7 | 179.1° | 58.5° |
| C04 | C05 | C06 | H8 | 59.8° | 61.6° |
| C05 | C04 | C26 | H19 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 74.4° | 90.0° |
| C03 | C04 | C05 | H5 | 165.1° | 150.0° |
| C03 | C04 | C05 | H6 | 46.1° | 30.1° |
| C03 | C04 | C26 | H19 | 179.5° | 179.9° |
| C05 | C06 | N07 | C08 | 85.7° | 96.2° |
| C05 | C06 | N07 | H7 | 120.3° | 119.9° |
| C05 | C06 | N07 | H8 | 120.3° | 120.0° |
| C05 | C06 | N07 | C17 | 94.0° | 83.9° |
| C06 | C05 | H5 | H6 | 118.5° | 120.1° |
| C05 | C06 | H7 | H8 | 119.0° | 120.1° |
| N09 | C08 | N07 | H9 | 180.0° | 179.7° |
| N09 | C08 | N07 | C06 | 179.5° | 180.0° |
| N09 | C08 | N07 | C17 | 0.3° | 0.1° |
| C08 | N09 | C10 | C17 | 1.4° | 0.1° |
| C08 | N09 | C10 | C11 | 179.8° | 180.0° |
| N07 | C08 | N09 | C10 | 1.1° | 0.1° |
| C08 | N07 | C06 | C17 | 179.7° | 179.9° |
| C08 | N07 | C17 | C10 | 0.6° | 0.0° |
| C08 | N07 | C17 | C18 | 179.9° | 180.0° |
| C08 | N07 | C06 | H7 | 34.6° | 23.8° |
| C08 | N07 | C06 | H8 | 153.9° | 143.8° |
| N09 | C10 | C17 | N07 | 1.2° | 0.0° |
| N09 | C10 | C11 | C16 | 17.9° | 144.7° |
| N09 | C10 | C17 | C11 | 178.2° | 180.0° |
| N09 | C10 | C17 | C18 | 179.3° | 180.0° |
| N09 | C10 | C11 | C12 | 162.2° | 35.0° |
| C10 | N09 | C08 | H9 | 178.9° | 179.8° |
| C06 | N07 | C17 | C10 | 179.7° | 179.9° |
| C06 | N07 | C17 | C18 | 0.3° | 0.1° |
| N07 | C06 | C05 | H5 | 59.9° | 61.6° |
| N07 | C06 | C05 | H6 | 178.9° | 58.4° |
| N07 | C06 | H7 | H8 | 119.0° | 120.0° |
| C06 | N07 | C08 | H9 | 0.6° | 0.3° |
| N07 | C17 | C10 | C18 | 179.4° | 180.0° |
| N07 | C17 | C10 | C11 | 179.4° | 180.0° |
| N07 | C17 | C18 | C19 | 122.6° | 54.2° |
| N07 | C17 | C18 | C25 | 59.6° | 125.6° |
| C17 | N07 | C06 | H7 | 145.7° | 156.1° |
| C17 | N07 | C06 | H8 | 26.4° | 36.1° |
| C17 | N07 | C08 | H9 | 179.7° | 179.7° |
| N15 | C16 | C11 | H14 | 180.0° | 179.8° |
| N15 | C16 | C11 | C10 | 179.1° | 180.0° |
| N15 | C16 | C11 | C12 | 0.9° | 0.3° |
| C16 | N15 | N13 | C12 | 0.9° | 0.0° |
| C16 | N15 | N13 | C14 | 179.5° | 179.8° |
| C16 | C11 | C10 | C17 | 160.1° | 35.3° |
| C16 | C11 | C10 | C12 | 179.9° | 179.7° |
| C11 | C16 | N15 | N13 | 1.0° | 0.2° |
| C16 | C11 | C12 | N13 | 0.3° | 0.2° |
| C16 | C11 | C12 | H10 | 179.7° | 179.7° |
| C10 | C17 | C18 | C19 | 58.1° | 125.8° |
| C17 | C10 | C11 | C12 | 19.8° | 144.9° |
| C10 | C17 | C18 | C25 | 119.7° | 54.5° |
| C11 | C10 | C17 | C18 | 1.1° | 0.0° |
| C10 | C11 | C12 | N13 | 179.6° | 180.0° |
| C10 | C11 | C12 | H10 | 0.4° | 0.0° |
| C10 | C11 | C16 | H14 | 0.9° | 0.2° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.0° | 180.0° |
| C19 | C20 | C21 | H16 | 180.0° | 180.0° |
| C20 | C19 | C18 | C25 | 0.2° | 0.3° |
| C19 | C20 | C21 | C22 | 179.7° | 180.0° |
| C19 | C20 | C21 | C24 | 0.1° | 0.0° |
| C19 | C18 | C17 | C25 | 177.8° | 179.7° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C25 | C24 | 0.6° | 0.6° |
| C18 | C19 | C20 | H16 | 179.8° | 180.0° |
| C19 | C18 | C25 | H18 | 179.4° | 179.7° |
| C17 | C18 | C25 | C24 | 178.3° | 179.7° |
| C17 | C18 | C19 | H15 | 2.0° | 0.1° |
| C17 | C18 | C25 | H18 | 1.7° | 0.0° |
| N15 | N13 | C12 | C11 | 0.3° | 0.1° |
| N15 | N13 | C12 | C14 | 179.6° | 179.8° |
| N15 | N13 | C12 | H10 | 179.7° | 179.8° |
| N15 | N13 | C14 | H11 | 0.0° | 89.8° |
| N15 | N13 | C14 | H12 | 120.0° | 30.2° |
| N15 | N13 | C14 | H13 | 120.0° | 150.2° |
| N13 | N15 | C16 | H14 | 179.0° | 180.0° |
| C11 | C12 | N13 | H10 | 180.0° | 179.9° |
| C11 | C12 | N13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C16 | H14 | 179.1° | 179.9° |
| C20 | C21 | C22 | C24 | 179.8° | 179.9° |
| C20 | C21 | C24 | C25 | 0.3° | 0.3° |
| C20 | C21 | C22 | N23 | 3.9° | 118.8° |
| C21 | C20 | C19 | H15 | 179.8° | 179.9° |
| C20 | C21 | C24 | H17 | 179.7° | 180.0° |
| C18 | C25 | C24 | C21 | 0.6° | 0.6° |
| C18 | C25 | C24 | H18 | 180.0° | 179.7° |
| C25 | C18 | C19 | H15 | 179.8° | 179.8° |
| C18 | C25 | C24 | H17 | 179.3° | 179.7° |
| C12 | N13 | C14 | H11 | 179.6° | 90.1° |
| C12 | N13 | C14 | H12 | 60.4° | 149.9° |
| C12 | N13 | C14 | H13 | 59.6° | 30.0° |
| C14 | N13 | C12 | H10 | 0.1° | 0.0° |
| N13 | C14 | H11 | H12 | 120.0° | 120.0° |
| N13 | C14 | H11 | H13 | 120.0° | 120.0° |
| N13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C22 | C21 | C24 | C25 | 179.9° | 179.7° |
| C22 | C21 | C20 | H16 | 0.3° | 0.0° |
| C22 | C21 | C24 | H17 | 0.1° | 0.1° |
| C21 | C24 | C25 | H17 | 180.0° | 179.7° |
| C24 | C21 | C22 | N23 | 176.2° | 61.2° |
| C24 | C21 | C20 | H16 | 179.9° | 179.9° |
| C21 | C24 | C25 | H18 | 179.3° | 179.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C05 | C06 | H7 | 60.4° | 178.4° |
| H5 | C05 | C06 | H8 | 179.7° | 58.4° |
| H6 | C05 | C06 | H7 | 58.6° | 61.6° |
| H6 | C05 | C06 | H8 | 60.7° | 178.4° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H15 | C19 | C20 | H16 | 0.2° | 0.0° |
| H17 | C24 | C25 | H18 | 0.7° | 0.0° |
