4Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| N18 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.36Å | |
| N21 | C19 | sing | 1.38Å | 1.38Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C19 | N20 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | C26 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| N20 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N14 | sing | 1.39Å | 1.39Å | |
| N14 | C7 | sing | 1.39Å | 1.40Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N6 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | N10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| N10 | C2 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.30Å | 1.30Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| N21 | H16 | sing | 0.97Å | 1.00Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N28 | H25 | sing | 0.97Å | 1.00Å | |
| N28 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C26 | 110.5° | 109.5° |
| C24 | C23 | C22 | 111.0° | 109.5° |
| C24 | C23 | C25 | 109.0° | 109.5° |
| C23 | C24 | H19 | 109.5° | 109.4° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C17 | N18 | C19 | 121.1° | 120.9° |
| N18 | C17 | C16 | 119.5° | 119.3° |
| N18 | C17 | H15 | 120.2° | 120.3° |
| N18 | C19 | N21 | 120.8° | 119.2° |
| N18 | C19 | N20 | 120.9° | 121.6° |
| C17 | C16 | C15 | 118.0° | 118.5° |
| C17 | C16 | H14 | 121.0° | 120.8° |
| C16 | C17 | H15 | 120.3° | 120.4° |
| N28 | C26 | C23 | 121.4° | 120.0° |
| N28 | C26 | O27 | 117.9° | 120.0° |
| C26 | N28 | H25 | 120.0° | 120.0° |
| C26 | N28 | H26 | 120.0° | 120.0° |
| C19 | N21 | C22 | 121.8° | 120.0° |
| N21 | C19 | N20 | 118.1° | 119.2° |
| C19 | N21 | H16 | 106.3° | 120.0° |
| N21 | C22 | C23 | 112.8° | 109.5° |
| C22 | N21 | H16 | 106.3° | 120.0° |
| N21 | C22 | H17 | 108.6° | 109.5° |
| N21 | C22 | H18 | 108.6° | 109.4° |
| C19 | N20 | C15 | 121.6° | 120.6° |
| C26 | C23 | C22 | 110.2° | 109.5° |
| C26 | C23 | C25 | 108.1° | 109.5° |
| C23 | C26 | O27 | 120.7° | 120.0° |
| C22 | C23 | C25 | 107.9° | 109.4° |
| C23 | C22 | H17 | 108.6° | 109.5° |
| C23 | C22 | H18 | 108.6° | 109.5° |
| C23 | C25 | H22 | 109.5° | 109.5° |
| C23 | C25 | H23 | 109.4° | 109.5° |
| C23 | C25 | H24 | 109.5° | 109.5° |
| C16 | C15 | N20 | 118.8° | 119.0° |
| C16 | C15 | N14 | 119.7° | 120.5° |
| C15 | C16 | H14 | 121.0° | 120.8° |
| N20 | C15 | N14 | 121.5° | 120.5° |
| C15 | N14 | C7 | 129.2° | 120.0° |
| C15 | N14 | H13 | 115.4° | 120.0° |
| N14 | C7 | C8 | 124.7° | 119.4° |
| N14 | C7 | N6 | 115.2° | 119.5° |
| C7 | N14 | H13 | 115.4° | 120.0° |
| C8 | C7 | N6 | 120.1° | 121.1° |
| C7 | C8 | C9 | 119.5° | 118.7° |
| C7 | C8 | H3 | 120.3° | 120.7° |
| C7 | N6 | C5 | 123.0° | 122.3° |
| C8 | C9 | N10 | 136.8° | 135.2° |
| C8 | C9 | C4 | 117.8° | 118.7° |
| C9 | C8 | H3 | 120.2° | 120.6° |
| C13 | C11 | C12 | 112.3° | 109.5° |
| C13 | C11 | N10 | 111.8° | 109.4° |
| C13 | C11 | H2 | 105.9° | 109.4° |
| C11 | C13 | H7 | 109.5° | 109.5° |
| C11 | C13 | H8 | 109.4° | 109.4° |
| C11 | C13 | H9 | 109.4° | 109.5° |
| C12 | C11 | N10 | 113.9° | 109.5° |
| C12 | C11 | H2 | 105.8° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.5° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| N6 | C5 | C4 | 120.5° | 120.3° |
| N6 | C5 | H1 | 119.7° | 119.8° |
| N10 | C9 | C4 | 105.5° | 106.1° |
| C9 | N10 | C11 | 128.2° | 126.4° |
| C9 | N10 | C2 | 106.9° | 107.3° |
| C9 | C4 | C5 | 119.0° | 118.8° |
| C9 | C4 | N3 | 107.3° | 106.9° |
| C11 | N10 | C2 | 124.9° | 126.3° |
| N10 | C11 | H2 | 106.4° | 109.5° |
| N10 | C2 | N3 | 110.5° | 110.1° |
| N10 | C2 | C1 | 126.8° | 124.9° |
| C5 | C4 | N3 | 133.6° | 134.4° |
| C4 | C5 | H1 | 119.7° | 119.8° |
| C4 | N3 | C2 | 109.8° | 109.6° |
| N3 | C2 | C1 | 122.7° | 125.0° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H4 | C12 | H6 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H17 | C22 | H18 | 109.4° | 109.4° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H25 | N28 | H26 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C26 | N28 | 20.5° | 60.0° |
| C24 | C23 | C22 | N21 | 39.8° | 59.9° |
| C24 | C23 | C26 | C22 | 123.0° | 120.0° |
| C24 | C23 | C26 | C25 | 119.2° | 120.0° |
| C24 | C23 | C22 | C25 | 119.4° | 120.0° |
| C24 | C23 | C26 | O27 | 160.8° | 120.0° |
| C24 | C23 | C22 | H17 | 160.3° | 180.0° |
| C24 | C23 | C22 | H18 | 80.7° | 60.0° |
| C23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H21 | 120.0° | 120.0° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C23 | C25 | H22 | 180.0° | 60.0° |
| C24 | C23 | C25 | H23 | 60.0° | 60.0° |
| C24 | C23 | C25 | H24 | 60.0° | 179.9° |
| N18 | C17 | C16 | H15 | 180.0° | 180.0° |
| C17 | N18 | C19 | N21 | 177.6° | 180.0° |
| C17 | N18 | C19 | N20 | 2.4° | 0.3° |
| N18 | C17 | C16 | C15 | 0.2° | 0.0° |
| N18 | C17 | C16 | H14 | 179.8° | 180.0° |
| C19 | N18 | C17 | C16 | 0.9° | 0.0° |
| N18 | C19 | N21 | N20 | 175.4° | 179.7° |
| N18 | C19 | N21 | C22 | 103.7° | 0.0° |
| N18 | C19 | N20 | C15 | 3.1° | 0.6° |
| C19 | N18 | C17 | H15 | 179.1° | 180.0° |
| N18 | C19 | N21 | H16 | 18.0° | 180.0° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | N20 | 0.9° | 0.3° |
| C17 | C16 | C15 | N14 | 179.7° | 180.0° |
| N28 | C26 | C23 | O27 | 178.8° | 180.0° |
| N28 | C26 | C23 | C22 | 143.5° | 180.0° |
| N28 | C26 | C23 | C25 | 98.8° | 60.0° |
| C26 | N28 | H25 | H26 | 180.0° | 179.9° |
| C19 | N21 | C22 | H16 | 121.7° | 180.0° |
| C19 | N21 | C22 | C23 | 179.6° | 180.0° |
| N21 | C19 | N20 | C15 | 178.5° | 179.7° |
| C19 | N21 | C22 | H17 | 59.9° | 59.9° |
| C19 | N21 | C22 | H18 | 59.1° | 60.0° |
| C22 | N21 | C19 | N20 | 80.9° | 179.8° |
| N21 | C22 | C23 | C26 | 162.5° | 180.0° |
| N21 | C22 | C23 | H17 | 120.5° | 120.1° |
| N21 | C22 | C23 | H18 | 120.5° | 120.0° |
| N21 | C22 | C23 | C25 | 79.6° | 60.0° |
| N21 | C22 | H17 | H18 | 118.5° | 119.9° |
| C19 | N20 | C15 | C16 | 2.4° | 0.6° |
| C19 | N20 | C15 | N14 | 178.9° | 179.7° |
| N20 | C19 | N21 | H16 | 157.3° | 0.3° |
| C26 | C23 | C22 | C25 | 117.8° | 120.0° |
| C26 | C23 | C22 | H17 | 77.0° | 60.0° |
| C26 | C23 | C22 | H18 | 42.0° | 60.0° |
| C26 | C23 | C24 | H19 | 180.0° | 60.0° |
| C26 | C23 | C24 | H20 | 60.0° | 180.0° |
| C26 | C23 | C24 | H21 | 60.0° | 60.0° |
| C26 | C23 | C25 | H22 | 59.8° | 60.0° |
| C26 | C23 | C25 | H23 | 60.2° | 180.0° |
| C26 | C23 | C25 | H24 | 179.8° | 60.0° |
| C23 | C26 | N28 | H25 | 178.8° | 0.0° |
| C23 | C26 | N28 | H26 | 1.2° | 180.0° |
| C22 | C23 | C26 | O27 | 37.7° | 0.0° |
| C23 | C22 | N21 | H16 | 57.9° | 0.0° |
| C23 | C22 | H17 | H18 | 118.5° | 120.0° |
| C22 | C23 | C24 | H19 | 57.4° | 60.0° |
| C22 | C23 | C24 | H20 | 177.5° | 60.0° |
| C22 | C23 | C24 | H21 | 62.5° | 180.0° |
| C22 | C23 | C25 | H22 | 59.3° | 180.0° |
| C22 | C23 | C25 | H23 | 179.3° | 60.0° |
| C22 | C23 | C25 | H24 | 60.7° | 60.0° |
| C25 | C23 | C26 | O27 | 80.0° | 120.0° |
| C25 | C23 | C22 | H17 | 40.9° | 60.0° |
| C25 | C23 | C22 | H18 | 159.9° | 180.0° |
| C25 | C23 | C24 | H19 | 61.3° | 180.0° |
| C25 | C23 | C24 | H20 | 58.7° | 60.0° |
| C25 | C23 | C24 | H21 | 178.7° | 60.0° |
| C23 | C25 | H22 | H23 | 120.0° | 120.0° |
| C23 | C25 | H22 | H24 | 120.0° | 120.0° |
| C23 | C25 | H23 | H24 | 120.0° | 120.0° |
| O27 | C26 | N28 | H25 | 0.0° | 180.0° |
| O27 | C26 | N28 | H26 | 180.0° | 0.0° |
| C16 | C15 | N20 | N14 | 178.8° | 179.7° |
| C16 | C15 | N14 | C7 | 150.6° | 174.3° |
| C16 | C15 | N14 | H13 | 29.4° | 5.6° |
| C15 | C16 | C17 | H15 | 179.8° | 180.0° |
| N20 | C15 | N14 | C7 | 30.6° | 5.3° |
| N20 | C15 | N14 | H13 | 149.4° | 174.7° |
| N20 | C15 | C16 | H14 | 179.1° | 179.7° |
| C15 | N14 | C7 | H13 | 180.0° | 180.0° |
| C15 | N14 | C7 | C8 | 14.9° | 174.4° |
| C15 | N14 | C7 | N6 | 166.1° | 5.2° |
| N14 | C15 | C16 | H14 | 0.3° | 0.1° |
| N14 | C7 | C8 | N6 | 178.9° | 179.5° |
| N14 | C7 | C8 | C9 | 180.0° | 179.9° |
| N14 | C7 | N6 | C5 | 178.7° | 179.9° |
| N14 | C7 | C8 | H3 | 0.0° | 0.5° |
| C7 | C8 | C9 | H3 | 180.0° | 179.6° |
| C8 | C7 | N6 | C5 | 0.3° | 0.3° |
| C7 | C8 | C9 | N10 | 179.1° | 179.8° |
| C7 | C8 | C9 | C4 | 1.1° | 0.1° |
| C8 | C7 | N14 | H13 | 165.1° | 5.7° |
| N6 | C7 | C8 | C9 | 1.1° | 0.4° |
| C7 | N6 | C5 | C4 | 1.6° | 0.1° |
| C7 | N6 | C5 | H1 | 178.4° | 180.0° |
| N6 | C7 | C8 | H3 | 178.9° | 180.0° |
| N6 | C7 | N14 | H13 | 13.8° | 174.8° |
| C8 | C9 | N10 | C4 | 179.8° | 179.9° |
| C8 | C9 | N10 | C11 | 1.1° | 0.1° |
| C8 | C9 | N10 | C2 | 179.3° | 179.7° |
| C8 | C9 | C4 | C5 | 0.1° | 0.3° |
| C8 | C9 | C4 | N3 | 179.3° | 180.0° |
| C13 | C11 | C12 | N10 | 128.4° | 120.0° |
| C13 | C11 | C12 | H2 | 115.1° | 120.0° |
| C13 | C11 | N10 | C9 | 71.5° | 56.1° |
| C13 | C11 | N10 | H2 | 115.1° | 120.0° |
| C13 | C11 | N10 | C2 | 106.4° | 124.1° |
| C13 | C11 | C12 | H4 | 180.0° | 55.0° |
| C13 | C11 | C12 | H5 | 60.0° | 65.1° |
| C13 | C11 | C12 | H6 | 60.0° | 174.9° |
| C11 | C13 | H7 | H8 | 120.0° | 120.0° |
| C11 | C13 | H7 | H9 | 120.0° | 120.0° |
| C11 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C11 | N10 | C9 | 57.1° | 63.8° |
| C12 | C11 | N10 | H2 | 116.2° | 120.0° |
| C12 | C11 | N10 | C2 | 125.0° | 115.9° |
| C11 | C12 | H4 | H5 | 120.0° | 120.0° |
| C11 | C12 | H4 | H6 | 120.0° | 120.0° |
| C11 | C12 | H5 | H6 | 120.0° | 120.0° |
| C12 | C11 | C13 | H7 | 180.0° | 180.0° |
| C12 | C11 | C13 | H8 | 60.0° | 60.0° |
| C12 | C11 | C13 | H9 | 60.0° | 60.0° |
| N6 | C5 | C4 | C9 | 1.4° | 0.4° |
| N6 | C5 | C4 | H1 | 180.0° | 179.9° |
| N6 | C5 | C4 | N3 | 179.5° | 179.9° |
| C9 | N10 | C11 | C2 | 177.9° | 179.7° |
| N10 | C9 | C4 | C5 | 179.7° | 179.8° |
| N10 | C9 | C4 | N3 | 0.5° | 0.0° |
| C9 | N10 | C2 | N3 | 0.3° | 0.4° |
| C9 | N10 | C2 | C1 | 179.6° | 180.0° |
| C9 | N10 | C11 | H2 | 173.4° | 176.1° |
| N10 | C9 | C8 | H3 | 0.9° | 0.2° |
| C4 | C9 | N10 | C11 | 178.7° | 180.0° |
| C4 | C9 | N10 | C2 | 0.5° | 0.2° |
| C9 | C4 | C5 | N3 | 179.0° | 179.7° |
| C9 | C4 | N3 | C2 | 0.3° | 0.3° |
| C9 | C4 | C5 | H1 | 178.5° | 179.7° |
| C4 | C9 | C8 | H3 | 178.8° | 179.7° |
| C11 | N10 | C2 | N3 | 178.6° | 179.8° |
| C11 | N10 | C2 | C1 | 1.4° | 0.3° |
| N10 | C11 | C12 | H4 | 51.6° | 65.0° |
| N10 | C11 | C12 | H5 | 68.4° | 175.0° |
| N10 | C11 | C12 | H6 | 171.7° | 55.0° |
| N10 | C11 | C13 | H7 | 50.5° | 60.1° |
| N10 | C11 | C13 | H8 | 170.5° | 179.9° |
| N10 | C11 | C13 | H9 | 69.5° | 60.0° |
| N10 | C2 | N3 | C4 | 0.0° | 0.5° |
| N10 | C2 | N3 | C1 | 180.0° | 179.5° |
| C2 | N10 | C11 | H2 | 8.8° | 4.1° |
| N10 | C2 | C1 | H10 | 180.0° | 95.3° |
| N10 | C2 | C1 | H11 | 60.0° | 24.7° |
| N10 | C2 | C1 | H12 | 59.9° | 144.7° |
| C5 | C4 | N3 | C2 | 179.4° | 180.0° |
| C4 | N3 | C2 | C1 | 180.0° | 180.0° |
| N3 | C4 | C5 | H1 | 0.5° | 0.0° |
| N3 | C2 | C1 | H10 | 0.0° | 85.3° |
| N3 | C2 | C1 | H11 | 120.0° | 154.8° |
| N3 | C2 | C1 | H12 | 120.0° | 34.7° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| H2 | C11 | C12 | H4 | 64.9° | 175.0° |
| H2 | C11 | C12 | H5 | 175.1° | 54.9° |
| H2 | C11 | C12 | H6 | 55.1° | 65.1° |
| H2 | C11 | C13 | H7 | 65.0° | 60.0° |
| H2 | C11 | C13 | H8 | 55.0° | 60.0° |
| H2 | C11 | C13 | H9 | 175.0° | 180.0° |
| H4 | C12 | H5 | H6 | 120.0° | 120.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H14 | C16 | C17 | H15 | 0.2° | 0.0° |
| H16 | N21 | C22 | H17 | 178.4° | 120.1° |
| H16 | N21 | C22 | H18 | 62.6° | 120.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
