J6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.45Å | |
| C27 | C25 | sing | 1.53Å | 1.56Å | |
| N26 | C25 | sing | 1.47Å | 1.50Å | |
| C25 | C21 | sing | 1.51Å | 1.55Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.48Å | 1.49Å | |
| C7 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C8 | sing | 1.51Å | 1.53Å | |
| O18 | C17 | doub | 1.21Å | 1.35Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| O19 | C17 | sing | 1.34Å | 1.23Å | |
| O9 | C10 | sing | 1.36Å | 1.41Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| O19 | H20 | sing | 0.97Å | 0.95Å | |
| N26 | H21 | sing | 1.01Å | 1.00Å | |
| N26 | H22 | sing | 1.01Å | 1.00Å | |
| O28 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C25 | 108.6° | 109.5° |
| O28 | C27 | H14 | 109.7° | 109.5° |
| O28 | C27 | H15 | 109.7° | 109.4° |
| C27 | O28 | H24 | 109.5° | 114.0° |
| C27 | C25 | N26 | 111.9° | 109.5° |
| C27 | C25 | C21 | 108.2° | 109.5° |
| C27 | C25 | H13 | 107.0° | 109.5° |
| C25 | C27 | H14 | 109.7° | 109.5° |
| C25 | C27 | H15 | 109.7° | 109.5° |
| N26 | C25 | C21 | 114.5° | 109.4° |
| N26 | C25 | H13 | 107.7° | 109.5° |
| C25 | N26 | H21 | 109.5° | 111.1° |
| C25 | N26 | H22 | 109.5° | 111.0° |
| C25 | C21 | C20 | 118.0° | 119.9° |
| C25 | C21 | C22 | 122.2° | 120.0° |
| C21 | C25 | H13 | 107.1° | 109.5° |
| C20 | C21 | C22 | 119.8° | 120.1° |
| C21 | C20 | C7 | 120.1° | 119.9° |
| C21 | C20 | H9 | 119.9° | 120.1° |
| C21 | C22 | C23 | 121.2° | 120.3° |
| C21 | C22 | H10 | 119.4° | 119.9° |
| C20 | C7 | C2 | 119.8° | 120.1° |
| C20 | C7 | C24 | 119.0° | 119.7° |
| C7 | C20 | H9 | 119.9° | 120.0° |
| C22 | C23 | C24 | 117.6° | 120.1° |
| C23 | C22 | H10 | 119.4° | 119.9° |
| C22 | C23 | H11 | 121.2° | 120.0° |
| C2 | C7 | C24 | 121.2° | 120.1° |
| C7 | C2 | C1 | 120.6° | 120.2° |
| C7 | C2 | C3 | 120.2° | 120.1° |
| C7 | C24 | C23 | 122.2° | 119.9° |
| C7 | C24 | H12 | 118.9° | 120.0° |
| C24 | C23 | H11 | 121.3° | 119.9° |
| C23 | C24 | H12 | 118.9° | 120.1° |
| C2 | C1 | C6 | 121.0° | 119.9° |
| C1 | C2 | C3 | 119.2° | 119.7° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C6 | C5 | 118.9° | 120.1° |
| C6 | C1 | H1 | 119.5° | 120.1° |
| C1 | C6 | H17 | 120.6° | 120.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | H2 | 119.6° | 120.1° |
| C6 | C5 | C4 | 120.7° | 120.2° |
| C6 | C5 | H16 | 119.6° | 119.9° |
| C5 | C6 | H17 | 120.5° | 119.9° |
| C3 | C4 | C5 | 119.5° | 120.1° |
| C3 | C4 | C8 | 119.5° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C5 | C4 | C8 | 120.9° | 120.0° |
| C4 | C5 | H16 | 119.6° | 119.8° |
| C4 | C8 | O9 | 106.0° | 109.5° |
| C4 | C8 | H18 | 110.4° | 109.5° |
| C4 | C8 | H19 | 110.3° | 109.5° |
| O18 | C17 | O19 | 120.6° | 120.0° |
| O18 | C17 | C16 | 118.0° | 120.0° |
| C8 | O9 | C10 | 124.5° | 117.0° |
| O9 | C8 | H18 | 110.3° | 109.4° |
| O9 | C8 | H19 | 110.3° | 109.5° |
| O19 | C17 | C16 | 121.4° | 120.0° |
| C17 | O19 | H20 | 109.5° | 117.0° |
| O9 | C10 | C11 | 121.4° | 120.0° |
| O9 | C10 | C15 | 119.2° | 120.0° |
| C17 | C16 | C15 | 115.4° | 109.5° |
| C17 | C16 | H7 | 108.0° | 109.5° |
| C17 | C16 | H8 | 108.0° | 109.5° |
| C11 | C10 | C15 | 119.4° | 119.9° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C10 | C11 | H3 | 119.8° | 120.0° |
| C10 | C15 | C16 | 121.8° | 120.0° |
| C10 | C15 | C14 | 119.2° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H3 | 119.7° | 120.0° |
| C11 | C12 | H4 | 120.0° | 120.0° |
| C16 | C15 | C14 | 118.8° | 120.0° |
| C15 | C16 | H7 | 108.0° | 109.4° |
| C15 | C16 | H8 | 108.0° | 109.5° |
| C15 | C14 | C13 | 120.6° | 120.0° |
| C15 | C14 | H6 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | H4 | 120.0° | 120.0° |
| C12 | C13 | H5 | 119.9° | 120.0° |
| C14 | C13 | H5 | 119.9° | 119.9° |
| C13 | C14 | H6 | 119.7° | 120.0° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H21 | N26 | H22 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C25 | H14 | 119.9° | 120.0° |
| O28 | C27 | C25 | H15 | 119.9° | 120.0° |
| O28 | C27 | C25 | N26 | 42.9° | 65.0° |
| O28 | C27 | C25 | C21 | 84.2° | 175.1° |
| O28 | C27 | C25 | H13 | 160.7° | 55.0° |
| O28 | C27 | H14 | H15 | 120.4° | 119.9° |
| C27 | C25 | N26 | C21 | 123.6° | 120.0° |
| C27 | C25 | N26 | H13 | 117.3° | 120.0° |
| C27 | C25 | C21 | H13 | 115.0° | 120.0° |
| C27 | C25 | C21 | C20 | 95.8° | 100.0° |
| C27 | C25 | C21 | C22 | 85.2° | 80.0° |
| C25 | C27 | H14 | H15 | 120.4° | 120.0° |
| C27 | C25 | N26 | H21 | 180.0° | 60.0° |
| C27 | C25 | N26 | H22 | 60.0° | 176.0° |
| C25 | C27 | O28 | H24 | 180.0° | 180.0° |
| N26 | C25 | C21 | H13 | 119.4° | 120.0° |
| N26 | C25 | C21 | C20 | 138.7° | 140.0° |
| N26 | C25 | C21 | C22 | 40.4° | 40.0° |
| N26 | C25 | C27 | H14 | 162.8° | 175.0° |
| N26 | C25 | C27 | H15 | 76.9° | 55.0° |
| C25 | N26 | H21 | H22 | 120.0° | 124.0° |
| C25 | C21 | C20 | C22 | 179.1° | 180.0° |
| C25 | C21 | C20 | C7 | 179.7° | 180.0° |
| C25 | C21 | C22 | C23 | 178.6° | 180.0° |
| C25 | C21 | C20 | H9 | 0.3° | 0.2° |
| C25 | C21 | C22 | H10 | 1.4° | 0.0° |
| C21 | C25 | C27 | H14 | 35.7° | 55.0° |
| C21 | C25 | C27 | H15 | 156.0° | 65.0° |
| C21 | C25 | N26 | H21 | 56.4° | 60.0° |
| C21 | C25 | N26 | H22 | 176.4° | 64.0° |
| C21 | C20 | C7 | H9 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 2.4° | 0.0° |
| C21 | C20 | C7 | C2 | 178.7° | 179.7° |
| C21 | C20 | C7 | C24 | 1.0° | 0.1° |
| C20 | C21 | C22 | H10 | 177.7° | 180.0° |
| C20 | C21 | C25 | H13 | 19.2° | 20.1° |
| C22 | C21 | C20 | C7 | 1.2° | 0.0° |
| C21 | C22 | C23 | H10 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.2° | 0.0° |
| C22 | C21 | C20 | H9 | 178.8° | 179.8° |
| C21 | C22 | C23 | H11 | 178.8° | 180.0° |
| C22 | C21 | C25 | H13 | 159.8° | 160.0° |
| C20 | C7 | C2 | C24 | 179.7° | 179.6° |
| C20 | C7 | C24 | C23 | 2.3° | 0.1° |
| C20 | C7 | C2 | C1 | 41.2° | 0.0° |
| C20 | C7 | C2 | C3 | 140.0° | 180.0° |
| C20 | C7 | C24 | H12 | 177.7° | 180.0° |
| C22 | C23 | C24 | C7 | 1.2° | 0.1° |
| C22 | C23 | C24 | H11 | 180.0° | 180.0° |
| C22 | C23 | C24 | H12 | 178.9° | 179.9° |
| C2 | C7 | C24 | C23 | 177.4° | 179.7° |
| C7 | C2 | C1 | C3 | 178.8° | 180.0° |
| C7 | C2 | C1 | C6 | 179.2° | 180.0° |
| C7 | C2 | C3 | C4 | 177.7° | 180.0° |
| C7 | C2 | C1 | H1 | 0.8° | 0.3° |
| C7 | C2 | C3 | H2 | 2.3° | 0.0° |
| C2 | C7 | C20 | H9 | 1.3° | 0.1° |
| C2 | C7 | C24 | H12 | 2.6° | 0.4° |
| C7 | C24 | C23 | H12 | 180.0° | 179.9° |
| C24 | C7 | C2 | C1 | 138.5° | 179.6° |
| C24 | C7 | C2 | C3 | 40.3° | 0.4° |
| C24 | C7 | C20 | H9 | 179.0° | 179.7° |
| C7 | C24 | C23 | H11 | 178.9° | 179.9° |
| C24 | C23 | C22 | H10 | 178.9° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C1 | C6 | H17 | 179.2° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C6 | C5 | H17 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C1 | C6 | C5 | H16 | 179.6° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.1° |
| C2 | C3 | C4 | C8 | 178.9° | 180.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C4 | C3 | 1.8° | 0.1° |
| C6 | C5 | C4 | H16 | 180.0° | 179.9° |
| C6 | C5 | C4 | C8 | 178.5° | 180.0° |
| C5 | C6 | C1 | H1 | 179.3° | 179.7° |
| C3 | C4 | C5 | C8 | 176.7° | 179.9° |
| C3 | C4 | C8 | O9 | 56.7° | 90.0° |
| C3 | C4 | C5 | H16 | 178.2° | 180.0° |
| C3 | C4 | C8 | H18 | 62.8° | 150.0° |
| C3 | C4 | C8 | H19 | 176.1° | 30.0° |
| C5 | C4 | C8 | O9 | 126.6° | 90.0° |
| C5 | C4 | C3 | H2 | 177.9° | 179.9° |
| C4 | C5 | C6 | H17 | 179.7° | 180.0° |
| C5 | C4 | C8 | H18 | 114.0° | 29.9° |
| C5 | C4 | C8 | H19 | 7.1° | 149.9° |
| C4 | C8 | O9 | H18 | 119.5° | 120.0° |
| C4 | C8 | O9 | H19 | 119.4° | 120.1° |
| C4 | C8 | O9 | C10 | 167.4° | 180.0° |
| C8 | C4 | C3 | H2 | 1.1° | 0.0° |
| C8 | C4 | C5 | H16 | 1.5° | 0.1° |
| C4 | C8 | H18 | H19 | 121.6° | 120.1° |
| O18 | C17 | O19 | C16 | 178.6° | 179.9° |
| O18 | C17 | C16 | C15 | 6.4° | 0.0° |
| O18 | C17 | C16 | H7 | 127.3° | 120.0° |
| O18 | C17 | C16 | H8 | 114.4° | 120.0° |
| O18 | C17 | O19 | H20 | 0.0° | 0.0° |
| C8 | O9 | C10 | C11 | 15.5° | 0.1° |
| C8 | O9 | C10 | C15 | 164.1° | 179.5° |
| O9 | C8 | H18 | H19 | 121.6° | 120.0° |
| O19 | C17 | C16 | C15 | 174.9° | 180.0° |
| O19 | C17 | C16 | H7 | 54.0° | 60.1° |
| O19 | C17 | C16 | H8 | 64.3° | 59.9° |
| O9 | C10 | C11 | C15 | 179.6° | 179.5° |
| O9 | C10 | C11 | C12 | 179.7° | 179.9° |
| O9 | C10 | C15 | C16 | 3.0° | 0.2° |
| O9 | C10 | C15 | C14 | 178.4° | 180.0° |
| O9 | C10 | C11 | H3 | 0.4° | 0.3° |
| C10 | O9 | C8 | H18 | 47.9° | 60.1° |
| C10 | O9 | C8 | H19 | 73.2° | 59.9° |
| C17 | C16 | C15 | C10 | 63.7° | 85.3° |
| C17 | C16 | C15 | H7 | 120.9° | 120.0° |
| C17 | C16 | C15 | H8 | 120.9° | 120.1° |
| C17 | C16 | C15 | C14 | 120.8° | 95.0° |
| C17 | C16 | H7 | H8 | 117.3° | 120.1° |
| C16 | C17 | O19 | H20 | 178.6° | 180.0° |
| C10 | C11 | C12 | H3 | 180.0° | 179.6° |
| C11 | C10 | C15 | C16 | 177.4° | 179.7° |
| C11 | C10 | C15 | C14 | 2.0° | 0.5° |
| C10 | C11 | C12 | C13 | 1.6° | 0.3° |
| C10 | C11 | C12 | H4 | 178.4° | 179.7° |
| C15 | C10 | C11 | C12 | 0.1° | 0.6° |
| C10 | C15 | C16 | C14 | 175.5° | 179.8° |
| C10 | C15 | C14 | C13 | 2.3° | 0.2° |
| C15 | C10 | C11 | H3 | 180.0° | 179.8° |
| C10 | C15 | C14 | H6 | 177.7° | 179.8° |
| C10 | C15 | C16 | H7 | 57.1° | 154.8° |
| C10 | C15 | C16 | H8 | 175.4° | 34.8° |
| C11 | C12 | C13 | H4 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C11 | C12 | C13 | H5 | 178.6° | 179.9° |
| C16 | C15 | C14 | C13 | 177.8° | 180.0° |
| C16 | C15 | C14 | H6 | 2.1° | 0.0° |
| C15 | C16 | H7 | H8 | 117.3° | 120.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | H5 | 179.4° | 180.0° |
| C14 | C15 | C16 | H7 | 118.3° | 25.0° |
| C14 | C15 | C16 | H8 | 0.0° | 145.0° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H3 | 178.3° | 179.9° |
| C12 | C13 | C14 | H6 | 179.4° | 180.0° |
| C14 | C13 | C12 | H4 | 178.6° | 180.0° |
| H1 | C1 | C6 | H17 | 0.8° | 0.3° |
| H3 | C11 | C12 | H4 | 1.7° | 0.1° |
| H4 | C12 | C13 | H5 | 1.4° | 0.0° |
| H5 | C13 | C14 | H6 | 0.6° | 0.0° |
| H10 | C22 | C23 | H11 | 1.2° | 0.0° |
| H11 | C23 | C24 | H12 | 1.1° | 0.1° |
| H13 | C25 | C27 | H14 | 79.5° | 65.0° |
| H13 | C25 | C27 | H15 | 40.8° | 175.0° |
| H13 | C25 | N26 | H21 | 62.7° | 180.0° |
| H13 | C25 | N26 | H22 | 57.3° | 56.0° |
| H14 | C27 | O28 | H24 | 60.1° | 59.9° |
| H15 | C27 | O28 | H24 | 60.1° | 60.0° |
| H16 | C5 | C6 | H17 | 0.3° | 0.0° |
