6TN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | sing | 1.36Å | 1.43Å | |
| C18 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.44Å | |
| C21 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C10 | sing | 1.47Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | N09 | sing | 1.47Å | 1.40Å | |
| C24 | C25 | sing | 1.50Å | 1.56Å | |
| N09 | C10 | sing | 1.35Å | 1.43Å | |
| N09 | C08 | sing | 1.47Å | 1.43Å | |
| C10 | O11 | doub | 1.22Å | 1.21Å | |
| C25 | N26 | doub | 1.33Å | 1.38Å | Aromatic |
| C25 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| N26 | C04 | sing | 1.32Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.55Å | |
| C07 | C06 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | O03 | sing | 1.35Å | 1.43Å | |
| C04 | N05 | doub | 1.32Å | 1.36Å | Aromatic |
| O03 | C02 | sing | 1.43Å | 1.43Å | |
| C06 | N05 | sing | 1.32Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| O19 | H20 | sing | 0.97Å | 0.95Å | |
| O22 | H21 | sing | 0.97Å | 0.95Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | C20 | 119.9° | 119.9° |
| O19 | C18 | C14 | 119.7° | 119.8° |
| C18 | O19 | H20 | 109.5° | 114.0° |
| C20 | C18 | C14 | 120.3° | 120.3° |
| C18 | C20 | C21 | 119.5° | 120.1° |
| C18 | C20 | H6 | 120.2° | 119.9° |
| C18 | C14 | C15 | 121.5° | 119.9° |
| C18 | C14 | C13 | 119.6° | 120.3° |
| C17 | C15 | C14 | 113.8° | 109.5° |
| C17 | C15 | C16 | 109.9° | 109.5° |
| C17 | C15 | H2 | 109.0° | 109.5° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C15 | C17 | H4 | 109.5° | 109.5° |
| C15 | C17 | H5 | 109.5° | 109.5° |
| C14 | C15 | C16 | 106.3° | 109.4° |
| C15 | C14 | C13 | 118.8° | 119.9° |
| C14 | C15 | H2 | 108.7° | 109.4° |
| C16 | C15 | H2 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C20 | C21 | O22 | 122.1° | 120.1° |
| C20 | C21 | C12 | 119.7° | 119.7° |
| C21 | C20 | H6 | 120.3° | 120.0° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C14 | C13 | H1 | 120.1° | 120.0° |
| O22 | C21 | C12 | 118.2° | 120.1° |
| C21 | O22 | H21 | 109.5° | 114.0° |
| C21 | C12 | C13 | 121.0° | 119.7° |
| C21 | C12 | C10 | 119.7° | 120.1° |
| C13 | C12 | C10 | 119.3° | 120.1° |
| C12 | C13 | H1 | 120.1° | 120.0° |
| C12 | C10 | N09 | 118.6° | 120.0° |
| C12 | C10 | O11 | 119.6° | 120.0° |
| C24 | C23 | N09 | 112.9° | 108.1° |
| C23 | C24 | C25 | 109.8° | 110.7° |
| C23 | C24 | H7 | 109.4° | 109.2° |
| C23 | C24 | H8 | 109.4° | 109.2° |
| C24 | C23 | H22 | 108.6° | 109.7° |
| C24 | C23 | H23 | 108.6° | 109.8° |
| C23 | N09 | C10 | 119.7° | 121.3° |
| C23 | N09 | C08 | 119.3° | 117.4° |
| N09 | C23 | H22 | 108.6° | 109.8° |
| N09 | C23 | H23 | 108.6° | 109.7° |
| C24 | C25 | N26 | 120.1° | 118.3° |
| C24 | C25 | C07 | 120.4° | 122.9° |
| C25 | C24 | H7 | 109.4° | 109.2° |
| C25 | C24 | H8 | 109.4° | 109.2° |
| C10 | N09 | C08 | 121.0° | 121.3° |
| N09 | C10 | O11 | 121.8° | 120.1° |
| N09 | C08 | C07 | 111.8° | 109.5° |
| N09 | C08 | H15 | 108.9° | 109.4° |
| N09 | C08 | H16 | 108.9° | 109.4° |
| N26 | C25 | C07 | 119.5° | 118.8° |
| C25 | N26 | C04 | 121.7° | 121.0° |
| C25 | C07 | C08 | 121.5° | 122.5° |
| C25 | C07 | C06 | 117.4° | 118.8° |
| N26 | C04 | O03 | 120.0° | 119.2° |
| N26 | C04 | N05 | 120.3° | 121.6° |
| C08 | C07 | C06 | 121.0° | 118.7° |
| C07 | C08 | H15 | 108.9° | 109.5° |
| C07 | C08 | H16 | 108.9° | 109.5° |
| C07 | C06 | N05 | 120.5° | 119.3° |
| C07 | C06 | H14 | 119.8° | 120.3° |
| O03 | C04 | N05 | 119.8° | 119.2° |
| C04 | O03 | C02 | 112.9° | 117.0° |
| C04 | N05 | C06 | 120.5° | 120.5° |
| O03 | C02 | C01 | 109.8° | 109.5° |
| O03 | C02 | H12 | 109.4° | 109.5° |
| O03 | C02 | H13 | 109.4° | 109.4° |
| N05 | C06 | H14 | 119.7° | 120.3° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C01 | C02 | H12 | 109.4° | 109.5° |
| C01 | C02 | H13 | 109.4° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.3° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C02 | H13 | 109.4° | 109.4° |
| H15 | C08 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H17 | C16 | H19 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.4° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | C20 | C14 | 178.9° | 179.7° |
| O19 | C18 | C14 | C15 | 2.7° | 0.3° |
| O19 | C18 | C20 | C21 | 179.8° | 180.0° |
| O19 | C18 | C14 | C13 | 179.4° | 179.7° |
| O19 | C18 | C20 | H6 | 0.3° | 0.6° |
| C20 | C18 | C14 | C15 | 178.4° | 180.0° |
| C18 | C20 | C21 | H6 | 180.0° | 179.4° |
| C20 | C18 | C14 | C13 | 1.7° | 0.1° |
| C18 | C20 | C21 | O22 | 179.9° | 179.4° |
| C18 | C20 | C21 | C12 | 1.0° | 0.6° |
| C20 | C18 | O19 | H20 | 180.0° | 90.0° |
| C18 | C14 | C15 | C17 | 145.6° | 119.9° |
| C18 | C14 | C15 | C13 | 176.7° | 179.9° |
| C18 | C14 | C15 | C16 | 93.3° | 120.0° |
| C14 | C18 | C20 | C21 | 1.3° | 0.4° |
| C18 | C14 | C13 | C12 | 1.7° | 0.0° |
| C18 | C14 | C13 | H1 | 178.3° | 179.8° |
| C18 | C14 | C15 | H2 | 24.0° | 0.1° |
| C14 | C18 | C20 | H6 | 178.7° | 179.7° |
| C14 | C18 | O19 | H20 | 1.0° | 89.7° |
| C17 | C15 | C14 | C16 | 121.1° | 120.0° |
| C17 | C15 | C14 | H2 | 121.7° | 120.0° |
| C17 | C15 | C16 | H2 | 119.4° | 120.0° |
| C17 | C15 | C14 | C13 | 37.6° | 60.0° |
| C15 | C17 | H3 | H4 | 120.0° | 120.1° |
| C15 | C17 | H3 | H5 | 120.0° | 119.9° |
| C15 | C17 | H4 | H5 | 120.0° | 120.0° |
| C17 | C15 | C16 | H17 | 180.0° | 60.0° |
| C17 | C15 | C16 | H18 | 60.0° | 180.0° |
| C17 | C15 | C16 | H19 | 60.0° | 60.0° |
| C14 | C15 | C16 | H2 | 117.0° | 119.9° |
| C15 | C14 | C13 | C12 | 178.5° | 179.9° |
| C15 | C14 | C13 | H1 | 1.5° | 0.3° |
| C14 | C15 | C17 | H3 | 180.0° | 59.9° |
| C14 | C15 | C17 | H4 | 60.0° | 180.0° |
| C14 | C15 | C17 | H5 | 60.0° | 60.0° |
| C14 | C15 | C16 | H17 | 56.5° | 180.0° |
| C14 | C15 | C16 | H18 | 63.6° | 60.0° |
| C14 | C15 | C16 | H19 | 176.5° | 60.0° |
| C16 | C15 | C14 | C13 | 83.4° | 60.0° |
| C16 | C15 | C17 | H3 | 61.0° | 179.9° |
| C16 | C15 | C17 | H4 | 59.0° | 60.0° |
| C16 | C15 | C17 | H5 | 179.0° | 60.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.1° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C20 | C21 | O22 | C12 | 179.1° | 180.0° |
| C20 | C21 | C12 | C13 | 1.0° | 0.5° |
| C20 | C21 | C12 | C10 | 178.8° | 179.4° |
| C20 | C21 | O22 | H21 | 180.0° | 90.0° |
| C14 | C13 | C12 | C21 | 1.4° | 0.2° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C14 | C13 | C12 | C10 | 178.4° | 179.7° |
| C13 | C14 | C15 | H2 | 159.3° | 180.0° |
| O22 | C21 | C12 | C13 | 179.8° | 179.5° |
| O22 | C21 | C12 | C10 | 0.4° | 0.5° |
| O22 | C21 | C20 | H6 | 0.1° | 0.1° |
| C21 | C12 | C13 | C10 | 179.8° | 180.0° |
| C21 | C12 | C10 | N09 | 104.8° | 134.3° |
| C21 | C12 | C10 | O11 | 73.8° | 46.0° |
| C21 | C12 | C13 | H1 | 178.6° | 180.0° |
| C12 | C21 | C20 | H6 | 179.0° | 180.0° |
| C12 | C21 | O22 | H21 | 0.9° | 90.0° |
| C13 | C12 | C10 | N09 | 75.0° | 45.7° |
| C13 | C12 | C10 | O11 | 106.4° | 133.9° |
| C12 | C10 | N09 | C23 | 0.2° | 174.5° |
| C12 | C10 | N09 | O11 | 178.6° | 179.6° |
| C12 | C10 | N09 | C08 | 179.4° | 5.5° |
| C10 | C12 | C13 | H1 | 1.6° | 0.0° |
| C24 | C23 | N09 | H22 | 120.5° | 119.6° |
| C24 | C23 | N09 | H23 | 120.5° | 119.6° |
| C23 | C24 | C25 | H7 | 120.1° | 120.3° |
| C23 | C24 | C25 | H8 | 120.1° | 120.2° |
| C24 | C23 | N09 | C10 | 119.7° | 115.8° |
| C24 | C23 | N09 | C08 | 59.9° | 64.2° |
| C23 | C24 | C25 | N26 | 159.6° | 160.5° |
| C23 | C24 | C25 | C07 | 20.1° | 19.8° |
| C23 | C24 | H7 | H8 | 119.9° | 119.3° |
| C24 | C23 | H22 | H23 | 118.4° | 120.7° |
| N09 | C23 | C24 | C25 | 47.6° | 47.2° |
| C23 | N09 | C10 | C08 | 179.6° | 179.9° |
| C23 | N09 | C10 | O11 | 178.4° | 5.1° |
| C23 | N09 | C08 | C07 | 36.1° | 44.2° |
| N09 | C23 | C24 | H7 | 167.7° | 167.5° |
| N09 | C23 | C24 | H8 | 72.4° | 73.0° |
| C23 | N09 | C08 | H15 | 156.5° | 75.7° |
| C23 | N09 | C08 | H16 | 84.2° | 164.2° |
| N09 | C23 | H22 | H23 | 118.5° | 120.7° |
| C24 | C25 | N26 | C07 | 179.7° | 179.8° |
| C24 | C25 | N26 | C04 | 179.5° | 179.4° |
| C24 | C25 | C07 | C08 | 0.1° | 1.1° |
| C24 | C25 | C07 | C06 | 179.6° | 179.4° |
| C25 | C24 | H7 | H8 | 119.8° | 119.4° |
| C25 | C24 | C23 | H22 | 168.1° | 166.9° |
| C25 | C24 | C23 | H23 | 72.9° | 72.4° |
| C10 | N09 | C08 | C07 | 143.5° | 135.7° |
| C10 | N09 | C08 | H15 | 23.1° | 104.3° |
| C10 | N09 | C08 | H16 | 96.2° | 15.7° |
| C10 | N09 | C23 | H22 | 0.7° | 3.9° |
| C10 | N09 | C23 | H23 | 119.7° | 124.6° |
| C08 | N09 | C10 | O11 | 2.0° | 174.8° |
| N09 | C08 | C07 | C25 | 5.7° | 11.3° |
| N09 | C08 | C07 | H15 | 120.4° | 119.9° |
| N09 | C08 | C07 | H16 | 120.4° | 120.0° |
| N09 | C08 | C07 | C06 | 174.8° | 169.2° |
| N09 | C08 | H15 | H16 | 118.9° | 120.0° |
| C08 | N09 | C23 | H22 | 179.7° | 176.2° |
| C08 | N09 | C23 | H23 | 60.7° | 55.5° |
| N26 | C25 | C07 | C08 | 179.6° | 179.1° |
| N26 | C25 | C07 | C06 | 0.1° | 0.4° |
| C25 | N26 | C04 | O03 | 179.9° | 180.0° |
| C25 | N26 | C04 | N05 | 0.1° | 0.1° |
| N26 | C25 | C24 | H7 | 39.5° | 40.1° |
| N26 | C25 | C24 | H8 | 80.4° | 79.3° |
| C07 | C25 | N26 | C04 | 0.2° | 0.3° |
| C25 | C07 | C08 | C06 | 179.5° | 179.5° |
| C25 | C07 | C06 | N05 | 0.0° | 0.1° |
| C07 | C25 | C24 | H7 | 140.2° | 140.1° |
| C07 | C25 | C24 | H8 | 99.9° | 100.5° |
| C25 | C07 | C06 | H14 | 180.0° | 179.9° |
| C25 | C07 | C08 | H15 | 126.1° | 108.7° |
| C25 | C07 | C08 | H16 | 114.7° | 131.3° |
| N26 | C04 | O03 | N05 | 180.0° | 179.9° |
| N26 | C04 | O03 | C02 | 176.1° | 179.9° |
| N26 | C04 | N05 | C06 | 0.0° | 0.1° |
| C08 | C07 | C06 | N05 | 179.5° | 179.4° |
| C08 | C07 | C06 | H14 | 0.5° | 0.6° |
| C07 | C08 | H15 | H16 | 118.9° | 120.1° |
| C07 | C06 | N05 | C04 | 0.0° | 0.1° |
| C07 | C06 | N05 | H14 | 180.0° | 180.0° |
| C06 | C07 | C08 | H15 | 54.5° | 70.8° |
| C06 | C07 | C08 | H16 | 64.8° | 49.2° |
| O03 | C04 | N05 | C06 | 180.0° | 179.8° |
| C04 | O03 | C02 | C01 | 91.5° | 180.0° |
| C04 | O03 | C02 | H12 | 148.5° | 60.0° |
| C04 | O03 | C02 | H13 | 28.6° | 60.0° |
| N05 | C04 | O03 | C02 | 3.9° | 0.0° |
| C04 | N05 | C06 | H14 | 180.0° | 179.9° |
| O03 | C02 | C01 | H12 | 120.1° | 120.1° |
| O03 | C02 | C01 | H13 | 120.0° | 120.0° |
| O03 | C02 | C01 | H9 | 180.0° | 180.0° |
| O03 | C02 | C01 | H10 | 60.0° | 60.0° |
| O03 | C02 | C01 | H11 | 60.0° | 60.0° |
| O03 | C02 | H12 | H13 | 119.8° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | H12 | H13 | 119.9° | 120.0° |
| H2 | C15 | C17 | H3 | 58.5° | 60.1° |
| H2 | C15 | C17 | H4 | 178.5° | 60.0° |
| H2 | C15 | C17 | H5 | 61.5° | 180.0° |
| H2 | C15 | C16 | H17 | 60.6° | 60.0° |
| H2 | C15 | C16 | H18 | 179.4° | 60.0° |
| H2 | C15 | C16 | H19 | 59.4° | 180.0° |
| H3 | C17 | H4 | H5 | 120.0° | 119.9° |
| H7 | C24 | C23 | H22 | 71.8° | 72.8° |
| H7 | C24 | C23 | H23 | 47.1° | 48.0° |
| H8 | C24 | C23 | H22 | 48.1° | 46.6° |
| H8 | C24 | C23 | H23 | 167.1° | 167.4° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 59.9° | 60.0° |
| H9 | C01 | C02 | H13 | 59.9° | 60.0° |
| H10 | C01 | C02 | H12 | 179.9° | 60.1° |
| H10 | C01 | C02 | H13 | 60.1° | 180.0° |
| H11 | C01 | C02 | H12 | 60.1° | 180.0° |
| H11 | C01 | C02 | H13 | 179.9° | 60.0° |
| H17 | C16 | H18 | H19 | 119.9° | 119.9° |
