6ZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C9 | sing | 1.51Å | 1.51Å | |
| C14 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | doub | 1.34Å | 1.49Å | Aromatic |
| C9 | C5 | sing | 1.47Å | 1.50Å | Aromatic |
| C8 | O7 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.48Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| O7 | C6 | sing | 1.35Å | 1.32Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.51Å | 1.53Å | |
| C3 | C13 | sing | 1.47Å | 1.50Å | |
| C3 | C2 | doub | 1.41Å | 1.51Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.48Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.23Å | |
| C2 | O10 | sing | 1.35Å | 1.38Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C12 | C18 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.41Å | 1.49Å | |
| C20 | N22 | sing | 1.35Å | 1.33Å | |
| O10 | C11 | sing | 1.34Å | 1.37Å | |
| C11 | O17 | doub | 1.22Å | 1.24Å | |
| N22 | C27 | sing | 1.47Å | 1.46Å | |
| N22 | C23 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C9 | C8 | 132.5° | 126.9° |
| C15 | C9 | C5 | 121.8° | 126.9° |
| C9 | C15 | H20 | 109.5° | 109.4° |
| C9 | C15 | H21 | 109.5° | 109.4° |
| C9 | C15 | H22 | 109.5° | 109.5° |
| C14 | C8 | C9 | 133.0° | 124.8° |
| C14 | C8 | O7 | 118.8° | 124.9° |
| C8 | C14 | H23 | 109.5° | 109.4° |
| C8 | C14 | H24 | 109.4° | 109.5° |
| C8 | C14 | H25 | 109.5° | 109.5° |
| C8 | C9 | C5 | 105.7° | 106.2° |
| C9 | C8 | O7 | 108.2° | 110.3° |
| C9 | C5 | C4 | 137.3° | 134.1° |
| C9 | C5 | C6 | 102.2° | 105.5° |
| C8 | O7 | C6 | 111.0° | 111.0° |
| C4 | C5 | C6 | 120.5° | 120.4° |
| C5 | C4 | C3 | 118.9° | 119.3° |
| C5 | C4 | H19 | 120.5° | 120.4° |
| C5 | C6 | O7 | 112.9° | 107.1° |
| C5 | C6 | C1 | 121.7° | 119.9° |
| C4 | C3 | C13 | 123.5° | 120.8° |
| C4 | C3 | C2 | 119.6° | 120.2° |
| C3 | C4 | H19 | 120.5° | 120.3° |
| O7 | C6 | C1 | 125.4° | 133.0° |
| C6 | C1 | C2 | 118.6° | 120.1° |
| C6 | C1 | H1 | 120.7° | 119.9° |
| C16 | C13 | C3 | 124.4° | 120.9° |
| C16 | C13 | C12 | 118.2° | 120.9° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C13 | C16 | H17 | 109.5° | 109.5° |
| C13 | C16 | H18 | 109.5° | 109.4° |
| C13 | C3 | C2 | 116.9° | 119.0° |
| C3 | C13 | C12 | 117.5° | 118.2° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C3 | C2 | O10 | 122.5° | 119.7° |
| C13 | C12 | C18 | 121.7° | 120.1° |
| C13 | C12 | C11 | 120.1° | 119.8° |
| C1 | C2 | O10 | 116.8° | 120.4° |
| C2 | C1 | H1 | 120.7° | 120.0° |
| O21 | C20 | C19 | 116.8° | 120.0° |
| O21 | C20 | N22 | 123.5° | 120.0° |
| C2 | O10 | C11 | 122.3° | 121.6° |
| C20 | C19 | C18 | 108.2° | 109.5° |
| C19 | C20 | N22 | 119.7° | 120.0° |
| C20 | C19 | H12 | 109.8° | 109.5° |
| C20 | C19 | H13 | 109.8° | 109.5° |
| C19 | C18 | C12 | 108.0° | 109.5° |
| C18 | C19 | H12 | 109.8° | 109.5° |
| C18 | C19 | H13 | 109.8° | 109.4° |
| C19 | C18 | H14 | 109.8° | 109.5° |
| C19 | C18 | H15 | 109.9° | 109.5° |
| C18 | C12 | C11 | 118.3° | 120.1° |
| C12 | C18 | H14 | 109.8° | 109.5° |
| C12 | C18 | H15 | 109.9° | 109.4° |
| C12 | C11 | O10 | 120.7° | 121.7° |
| C12 | C11 | O17 | 118.4° | 119.1° |
| C20 | N22 | C27 | 122.5° | 120.7° |
| C20 | N22 | C23 | 125.7° | 120.6° |
| O10 | C11 | O17 | 120.8° | 119.2° |
| C27 | N22 | C23 | 111.7° | 118.7° |
| N22 | C27 | C26 | 102.0° | 108.8° |
| N22 | C27 | H2 | 111.3° | 109.6° |
| N22 | C27 | H3 | 111.3° | 109.6° |
| N22 | C23 | C24 | 105.8° | 109.0° |
| N22 | C23 | H10 | 110.3° | 109.6° |
| N22 | C23 | H11 | 110.4° | 109.5° |
| C27 | C26 | C25 | 110.3° | 109.3° |
| C26 | C27 | H2 | 111.3° | 109.6° |
| C26 | C27 | H3 | 111.3° | 109.7° |
| C27 | C26 | H4 | 109.2° | 109.5° |
| C27 | C26 | H5 | 109.3° | 109.5° |
| C26 | C25 | C24 | 109.8° | 109.6° |
| C25 | C26 | H4 | 109.3° | 109.5° |
| C25 | C26 | H5 | 109.3° | 109.5° |
| C26 | C25 | H6 | 109.4° | 109.5° |
| C26 | C25 | H7 | 109.4° | 109.5° |
| C25 | C24 | C23 | 110.2° | 109.4° |
| C24 | C25 | H6 | 109.4° | 109.5° |
| C24 | C25 | H7 | 109.4° | 109.4° |
| C25 | C24 | H8 | 109.3° | 109.5° |
| C25 | C24 | H9 | 109.3° | 109.4° |
| C23 | C24 | H8 | 109.3° | 109.6° |
| C23 | C24 | H9 | 109.3° | 109.4° |
| C24 | C23 | H10 | 110.4° | 109.5° |
| C24 | C23 | H11 | 110.4° | 109.4° |
| H2 | C27 | H3 | 109.5° | 109.6° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.7° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H25 | 109.4° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C9 | C8 | C14 | 1.1° | 0.0° |
| C15 | C9 | C8 | C5 | 179.4° | 180.0° |
| C15 | C9 | C8 | O7 | 179.6° | 180.0° |
| C15 | C9 | C5 | C4 | 1.0° | 0.1° |
| C15 | C9 | C5 | C6 | 179.2° | 179.6° |
| C9 | C15 | H20 | H21 | 120.0° | 119.9° |
| C9 | C15 | H20 | H22 | 120.0° | 120.0° |
| C9 | C15 | H21 | H22 | 120.0° | 120.0° |
| C14 | C8 | C9 | O7 | 178.4° | 180.0° |
| C14 | C8 | C9 | C5 | 179.5° | 180.0° |
| C14 | C8 | O7 | C6 | 179.2° | 179.6° |
| C8 | C14 | H23 | H24 | 120.0° | 119.9° |
| C8 | C14 | H23 | H25 | 120.0° | 120.0° |
| C8 | C14 | H24 | H25 | 120.0° | 120.0° |
| C8 | C9 | C5 | C4 | 178.5° | 180.0° |
| C8 | C9 | C5 | C6 | 0.3° | 0.4° |
| C9 | C8 | O7 | C6 | 2.1° | 0.5° |
| C8 | C9 | C15 | H20 | 90.4° | 90.0° |
| C8 | C9 | C15 | H21 | 149.6° | 150.1° |
| C8 | C9 | C15 | H22 | 29.6° | 30.1° |
| C9 | C8 | C14 | H23 | 178.3° | 90.0° |
| C9 | C8 | C14 | H24 | 58.3° | 150.0° |
| C9 | C8 | C14 | H25 | 61.7° | 30.0° |
| C5 | C9 | C8 | O7 | 1.0° | 0.0° |
| C9 | C5 | C4 | C6 | 178.0° | 179.6° |
| C9 | C5 | C4 | C3 | 178.7° | 180.0° |
| C9 | C5 | C6 | O7 | 1.6° | 0.7° |
| C9 | C5 | C6 | C1 | 179.8° | 179.9° |
| C9 | C5 | C4 | H19 | 1.2° | 0.4° |
| C5 | C9 | C15 | H20 | 90.3° | 90.0° |
| C5 | C9 | C15 | H21 | 29.7° | 29.9° |
| C5 | C9 | C15 | H22 | 149.7° | 150.0° |
| C8 | O7 | C6 | C5 | 2.4° | 0.7° |
| C8 | O7 | C6 | C1 | 179.5° | 179.8° |
| O7 | C8 | C14 | H23 | 0.0° | 90.0° |
| O7 | C8 | C14 | H24 | 120.0° | 30.0° |
| O7 | C8 | C14 | H25 | 120.0° | 150.0° |
| C5 | C4 | C3 | H19 | 180.0° | 179.6° |
| C4 | C5 | C6 | O7 | 179.8° | 179.7° |
| C4 | C5 | C6 | C1 | 1.7° | 0.4° |
| C5 | C4 | C3 | C13 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C6 | C5 | C4 | C3 | 0.8° | 0.5° |
| C5 | C6 | O7 | C1 | 178.1° | 179.1° |
| C5 | C6 | C1 | C2 | 1.8° | 0.2° |
| C5 | C6 | C1 | H1 | 178.2° | 179.7° |
| C6 | C5 | C4 | H19 | 179.2° | 180.0° |
| C4 | C3 | C13 | C16 | 0.5° | 0.2° |
| C4 | C3 | C13 | C2 | 179.9° | 179.8° |
| C4 | C3 | C13 | C12 | 179.3° | 179.9° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | O10 | 179.5° | 179.9° |
| O7 | C6 | C1 | C2 | 179.7° | 179.2° |
| O7 | C6 | C1 | H1 | 0.3° | 0.7° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | O10 | 179.6° | 179.9° |
| C16 | C13 | C3 | C12 | 179.9° | 179.7° |
| C16 | C13 | C3 | C2 | 179.4° | 180.0° |
| C16 | C13 | C12 | C18 | 0.6° | 0.3° |
| C16 | C13 | C12 | C11 | 179.2° | 179.8° |
| C13 | C16 | H16 | H17 | 120.0° | 120.0° |
| C13 | C16 | H16 | H18 | 120.0° | 120.0° |
| C13 | C16 | H17 | H18 | 120.0° | 120.0° |
| C13 | C3 | C2 | C1 | 179.7° | 179.8° |
| C13 | C3 | C2 | O10 | 0.6° | 0.3° |
| C3 | C13 | C12 | C18 | 179.6° | 180.0° |
| C3 | C13 | C12 | C11 | 1.0° | 0.0° |
| C3 | C13 | C16 | H16 | 180.0° | 0.0° |
| C3 | C13 | C16 | H17 | 60.0° | 120.0° |
| C3 | C13 | C16 | H18 | 60.0° | 120.0° |
| C13 | C3 | C4 | H19 | 0.1° | 0.4° |
| C2 | C3 | C13 | C12 | 0.8° | 0.2° |
| C3 | C2 | C1 | O10 | 179.2° | 180.0° |
| C3 | C2 | O10 | C11 | 0.6° | 0.1° |
| C3 | C2 | C1 | H1 | 178.8° | 180.0° |
| C2 | C3 | C4 | H19 | 179.8° | 179.8° |
| C13 | C12 | C18 | C19 | 91.2° | 95.0° |
| C13 | C12 | C18 | C11 | 178.6° | 180.0° |
| C13 | C12 | C11 | O10 | 1.0° | 0.2° |
| C13 | C12 | C11 | O17 | 179.7° | 180.0° |
| C13 | C12 | C18 | H14 | 28.6° | 25.0° |
| C13 | C12 | C18 | H15 | 149.0° | 145.0° |
| C12 | C13 | C16 | H16 | 0.1° | 179.7° |
| C12 | C13 | C16 | H17 | 120.2° | 60.3° |
| C12 | C13 | C16 | H18 | 119.8° | 59.7° |
| C1 | C2 | O10 | C11 | 179.8° | 180.0° |
| O21 | C20 | C19 | N22 | 177.5° | 180.0° |
| O21 | C20 | C19 | C18 | 96.7° | 0.0° |
| O21 | C20 | N22 | C27 | 1.9° | 0.0° |
| O21 | C20 | N22 | C23 | 175.2° | 179.7° |
| O21 | C20 | C19 | H12 | 143.5° | 120.0° |
| O21 | C20 | C19 | H13 | 23.1° | 120.0° |
| C2 | O10 | C11 | C12 | 0.8° | 0.2° |
| C2 | O10 | C11 | O17 | 179.9° | 180.0° |
| O10 | C2 | C1 | H1 | 0.3° | 0.0° |
| C20 | C19 | C18 | H12 | 119.8° | 120.0° |
| C20 | C19 | C18 | H13 | 119.8° | 120.0° |
| C20 | C19 | C18 | C12 | 162.2° | 180.0° |
| C19 | C20 | N22 | C27 | 179.3° | 180.0° |
| C19 | C20 | N22 | C23 | 2.2° | 0.3° |
| C20 | C19 | H12 | H13 | 120.6° | 120.0° |
| C20 | C19 | C18 | H14 | 42.4° | 60.0° |
| C20 | C19 | C18 | H15 | 78.0° | 60.0° |
| C19 | C18 | C12 | H14 | 119.8° | 120.0° |
| C19 | C18 | C12 | H15 | 119.8° | 120.0° |
| C19 | C18 | C12 | C11 | 90.1° | 84.9° |
| C18 | C19 | C20 | N22 | 85.8° | 180.0° |
| C18 | C19 | H12 | H13 | 120.6° | 120.0° |
| C19 | C18 | H14 | H15 | 120.7° | 120.0° |
| C18 | C12 | C11 | O10 | 179.6° | 179.8° |
| C18 | C12 | C11 | O17 | 1.1° | 0.0° |
| C12 | C18 | C19 | H12 | 78.0° | 59.9° |
| C12 | C18 | C19 | H13 | 42.4° | 60.0° |
| C12 | C18 | H14 | H15 | 120.7° | 120.0° |
| C12 | C11 | O10 | O17 | 179.3° | 179.8° |
| C11 | C12 | C18 | H14 | 150.1° | 155.0° |
| C11 | C12 | C18 | H15 | 29.6° | 35.0° |
| C20 | N22 | C27 | C23 | 177.5° | 179.7° |
| C20 | N22 | C27 | C26 | 105.3° | 126.4° |
| C20 | N22 | C23 | C24 | 108.0° | 126.4° |
| C20 | N22 | C27 | H2 | 135.9° | 113.8° |
| C20 | N22 | C27 | H3 | 13.4° | 6.4° |
| C20 | N22 | C23 | H10 | 11.5° | 6.6° |
| C20 | N22 | C23 | H11 | 132.6° | 113.9° |
| N22 | C20 | C19 | H12 | 34.0° | 60.0° |
| N22 | C20 | C19 | H13 | 154.4° | 60.0° |
| N22 | C27 | C26 | H2 | 118.8° | 119.8° |
| N22 | C27 | C26 | H3 | 118.8° | 119.9° |
| N22 | C27 | C26 | C25 | 64.2° | 54.6° |
| C27 | N22 | C23 | C24 | 69.4° | 53.3° |
| N22 | C27 | H2 | H3 | 123.5° | 120.2° |
| N22 | C27 | C26 | H4 | 175.6° | 174.6° |
| N22 | C27 | C26 | H5 | 55.9° | 65.3° |
| C27 | N22 | C23 | H10 | 171.2° | 173.1° |
| C27 | N22 | C23 | H11 | 50.0° | 66.4° |
| C23 | N22 | C27 | C26 | 72.1° | 53.3° |
| N22 | C23 | C24 | C25 | 56.5° | 54.4° |
| N22 | C23 | C24 | H10 | 119.4° | 119.9° |
| N22 | C23 | C24 | H11 | 119.4° | 119.8° |
| C23 | N22 | C27 | H2 | 46.7° | 66.5° |
| C23 | N22 | C27 | H3 | 169.1° | 173.3° |
| N22 | C23 | C24 | H8 | 176.5° | 174.4° |
| N22 | C23 | C24 | H9 | 63.6° | 65.5° |
| N22 | C23 | H10 | H11 | 121.7° | 120.3° |
| C27 | C26 | C25 | H4 | 120.1° | 119.9° |
| C27 | C26 | C25 | H5 | 120.1° | 120.0° |
| C27 | C26 | C25 | C24 | 58.2° | 61.4° |
| C26 | C27 | H2 | H3 | 123.5° | 120.5° |
| C27 | C26 | H4 | H5 | 119.6° | 120.1° |
| C27 | C26 | C25 | H6 | 61.8° | 58.7° |
| C27 | C26 | C25 | H7 | 178.3° | 178.6° |
| C26 | C25 | C24 | H6 | 120.0° | 120.1° |
| C26 | C25 | C24 | H7 | 120.1° | 120.0° |
| C26 | C25 | C24 | C23 | 53.1° | 61.2° |
| C25 | C26 | C27 | H2 | 54.5° | 65.1° |
| C25 | C26 | C27 | H3 | 177.0° | 174.5° |
| C25 | C26 | H4 | H5 | 119.6° | 120.1° |
| C26 | C25 | H6 | H7 | 119.9° | 119.9° |
| C26 | C25 | C24 | H8 | 173.2° | 178.6° |
| C26 | C25 | C24 | H9 | 67.0° | 58.6° |
| C25 | C24 | C23 | H8 | 120.1° | 120.1° |
| C25 | C24 | C23 | H9 | 120.1° | 119.9° |
| C24 | C25 | C26 | H4 | 178.3° | 178.7° |
| C24 | C25 | C26 | H5 | 61.9° | 58.6° |
| C24 | C25 | H6 | H7 | 119.8° | 119.9° |
| C25 | C24 | H8 | H9 | 119.7° | 120.0° |
| C25 | C24 | C23 | H10 | 175.9° | 174.3° |
| C25 | C24 | C23 | H11 | 63.0° | 65.4° |
| C23 | C24 | C25 | H6 | 67.0° | 58.8° |
| C23 | C24 | C25 | H7 | 173.1° | 178.7° |
| C23 | C24 | H8 | H9 | 119.7° | 120.0° |
| C24 | C23 | H10 | H11 | 121.7° | 120.1° |
| H2 | C27 | C26 | H4 | 65.6° | 54.8° |
| H2 | C27 | C26 | H5 | 174.7° | 174.9° |
| H3 | C27 | C26 | H4 | 56.8° | 65.6° |
| H3 | C27 | C26 | H5 | 62.9° | 54.5° |
| H4 | C26 | C25 | H6 | 58.3° | 61.2° |
| H4 | C26 | C25 | H7 | 61.6° | 58.7° |
| H5 | C26 | C25 | H6 | 178.0° | 178.7° |
| H5 | C26 | C25 | H7 | 58.1° | 61.4° |
| H6 | C25 | C24 | H8 | 53.1° | 61.3° |
| H6 | C25 | C24 | H9 | 172.9° | 178.6° |
| H7 | C25 | C24 | H8 | 66.8° | 58.6° |
| H7 | C25 | C24 | H9 | 53.0° | 61.4° |
| H8 | C24 | C23 | H10 | 64.1° | 65.7° |
| H8 | C24 | C23 | H11 | 57.1° | 54.7° |
| H9 | C24 | C23 | H10 | 55.8° | 54.4° |
| H9 | C24 | C23 | H11 | 176.9° | 174.7° |
| H12 | C19 | C18 | H14 | 162.2° | 180.0° |
| H12 | C19 | C18 | H15 | 41.8° | 60.0° |
| H13 | C19 | C18 | H14 | 77.4° | 60.0° |
| H13 | C19 | C18 | H15 | 162.2° | 180.0° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
| H20 | C15 | H21 | H22 | 120.0° | 120.1° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
