6TO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C16 | doub | 1.21Å | 1.24Å | |
| O02 | C09 | doub | 1.22Å | 1.24Å | |
| C07 | C04 | sing | 1.47Å | 1.44Å | |
| C07 | C08 | doub | 1.35Å | 1.33Å | |
| C05 | C04 | doub | 1.40Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.42Å | 1.48Å | |
| C09 | O03 | sing | 1.35Å | 1.36Å | |
| C06 | C01 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | O01 | sing | 1.36Å | 1.37Å | |
| C16 | O07 | sing | 1.35Å | 1.27Å | |
| C16 | C14 | sing | 1.47Å | 1.55Å | |
| O03 | C12 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.50Å | 1.49Å | |
| C13 | C14 | doub | 1.33Å | 1.32Å | |
| C12 | C11 | sing | 1.53Å | 1.62Å | |
| C14 | C15 | sing | 1.50Å | 1.49Å | |
| C15 | C10 | sing | 1.53Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | O04 | sing | 1.43Å | 1.41Å | |
| C10 | O05 | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O04 | H16 | sing | 0.97Å | 0.95Å | |
| O05 | H17 | sing | 0.97Å | 0.95Å | |
| O07 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C16 | O07 | 126.3° | 120.0° |
| O06 | C16 | C14 | 117.7° | 120.1° |
| O02 | C09 | C08 | 123.2° | 120.0° |
| O02 | C09 | O03 | 122.1° | 120.0° |
| C04 | C07 | C08 | 129.8° | 120.0° |
| C07 | C04 | C05 | 118.0° | 120.1° |
| C07 | C04 | C03 | 122.8° | 120.1° |
| C04 | C07 | H11 | 115.1° | 120.0° |
| C07 | C08 | C09 | 118.7° | 120.0° |
| C08 | C07 | H11 | 115.1° | 120.0° |
| C07 | C08 | H12 | 120.6° | 120.0° |
| C04 | C05 | C06 | 121.0° | 119.9° |
| C05 | C04 | C03 | 119.2° | 119.8° |
| C04 | C05 | H8 | 119.5° | 120.1° |
| C05 | C06 | C01 | 118.3° | 120.1° |
| C06 | C05 | H8 | 119.5° | 120.1° |
| C05 | C06 | H9 | 120.8° | 119.9° |
| C04 | C03 | C02 | 121.0° | 119.9° |
| C04 | C03 | H7 | 119.5° | 120.1° |
| C08 | C09 | O03 | 114.7° | 120.0° |
| C09 | C08 | H12 | 120.6° | 120.0° |
| C09 | O03 | C12 | 118.3° | 117.0° |
| C06 | C01 | C02 | 121.5° | 120.2° |
| C06 | C01 | O01 | 118.4° | 119.9° |
| C01 | C06 | H9 | 120.9° | 119.9° |
| C03 | C02 | C01 | 119.1° | 120.1° |
| C03 | C02 | H6 | 120.4° | 119.9° |
| C02 | C03 | H7 | 119.5° | 120.0° |
| C02 | C01 | O01 | 120.1° | 119.9° |
| C01 | C02 | H6 | 120.5° | 119.9° |
| C01 | O01 | H10 | 109.5° | 114.0° |
| O07 | C16 | C14 | 116.1° | 120.0° |
| C16 | O07 | H18 | 109.5° | 117.1° |
| C16 | C14 | C13 | 121.3° | 118.1° |
| C16 | C14 | C15 | 114.0° | 118.3° |
| O03 | C12 | C13 | 115.2° | 109.3° |
| O03 | C12 | C11 | 110.3° | 109.3° |
| O03 | C12 | H14 | 107.7° | 109.3° |
| C12 | C13 | C14 | 122.2° | 123.8° |
| C13 | C12 | C11 | 110.6° | 110.2° |
| C12 | C13 | H2 | 118.9° | 118.2° |
| C13 | C12 | H14 | 107.0° | 109.3° |
| C13 | C14 | C15 | 121.1° | 123.6° |
| C14 | C13 | H2 | 118.9° | 118.1° |
| C12 | C11 | C10 | 116.0° | 108.5° |
| C12 | C11 | O04 | 112.9° | 109.6° |
| C12 | C11 | H13 | 103.9° | 109.8° |
| C11 | C12 | H14 | 105.5° | 109.3° |
| C14 | C15 | C10 | 114.2° | 110.1° |
| C14 | C15 | H4 | 108.3° | 109.4° |
| C14 | C15 | H5 | 108.3° | 109.2° |
| C15 | C10 | C11 | 113.3° | 108.7° |
| C15 | C10 | O05 | 109.8° | 109.6° |
| C15 | C10 | H1 | 108.8° | 109.6° |
| C10 | C15 | H4 | 108.3° | 109.4° |
| C10 | C15 | H5 | 108.3° | 109.3° |
| C10 | C11 | O04 | 112.3° | 109.6° |
| C11 | C10 | O05 | 104.5° | 109.6° |
| C11 | C10 | H1 | 109.1° | 109.7° |
| C10 | C11 | H13 | 104.4° | 109.7° |
| O04 | C11 | H13 | 106.0° | 109.6° |
| C11 | O04 | H16 | 109.5° | 114.0° |
| O05 | C10 | H1 | 111.4° | 109.6° |
| C10 | O05 | H17 | 109.5° | 114.0° |
| H4 | C15 | H5 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C16 | O07 | C14 | 179.7° | 180.0° |
| O06 | C16 | C14 | C13 | 10.9° | 0.0° |
| O06 | C16 | C14 | C15 | 148.0° | 179.8° |
| O06 | C16 | O07 | H18 | 0.0° | 0.0° |
| O02 | C09 | C08 | C07 | 1.4° | 0.0° |
| O02 | C09 | C08 | O03 | 179.1° | 180.0° |
| O02 | C09 | O03 | C12 | 18.4° | 0.0° |
| O02 | C09 | C08 | H12 | 178.6° | 180.0° |
| C04 | C07 | C08 | H11 | 180.0° | 179.9° |
| C07 | C04 | C05 | C03 | 179.8° | 180.0° |
| C07 | C04 | C05 | C06 | 178.9° | 179.7° |
| C04 | C07 | C08 | C09 | 179.2° | 180.0° |
| C07 | C04 | C03 | C02 | 179.7° | 180.0° |
| C07 | C04 | C03 | H7 | 0.3° | 0.1° |
| C07 | C04 | C05 | H8 | 1.1° | 0.0° |
| C04 | C07 | C08 | H12 | 0.8° | 0.1° |
| C08 | C07 | C04 | C05 | 24.4° | 0.0° |
| C08 | C07 | C04 | C03 | 155.4° | 180.0° |
| C07 | C08 | C09 | H12 | 180.0° | 180.0° |
| C07 | C08 | C09 | O03 | 179.5° | 180.0° |
| C04 | C05 | C06 | H8 | 180.0° | 179.7° |
| C04 | C05 | C06 | C01 | 1.2° | 0.5° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H7 | 179.9° | 180.0° |
| C04 | C05 | C06 | H9 | 178.8° | 180.0° |
| C05 | C04 | C07 | H11 | 155.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.2° |
| C05 | C06 | C01 | H9 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.8° | 0.5° |
| C05 | C06 | C01 | O01 | 179.4° | 179.8° |
| C04 | C03 | C02 | H7 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.3° | 0.0° |
| C04 | C03 | C02 | H6 | 179.7° | 180.0° |
| C03 | C04 | C05 | H8 | 179.1° | 180.0° |
| C03 | C04 | C07 | H11 | 24.6° | 0.1° |
| C08 | C09 | O03 | C12 | 160.7° | 180.0° |
| C09 | C08 | C07 | H11 | 0.8° | 0.0° |
| C09 | O03 | C12 | C13 | 164.3° | 90.0° |
| C09 | O03 | C12 | C11 | 69.6° | 149.4° |
| O03 | C09 | C08 | H12 | 0.5° | 0.0° |
| C09 | O03 | C12 | H14 | 45.0° | 29.7° |
| C06 | C01 | C02 | C03 | 0.0° | 0.2° |
| C06 | C01 | C02 | O01 | 179.8° | 179.7° |
| C06 | C01 | C02 | H6 | 179.9° | 179.7° |
| C01 | C06 | C05 | H8 | 178.8° | 179.7° |
| C06 | C01 | O01 | H10 | 180.0° | 90.3° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | O01 | 179.8° | 179.9° |
| C01 | C02 | C03 | H7 | 179.7° | 180.0° |
| C02 | C01 | C06 | H9 | 179.2° | 180.0° |
| C02 | C01 | O01 | H10 | 0.2° | 90.0° |
| O01 | C01 | C02 | H6 | 0.2° | 0.0° |
| O01 | C01 | C06 | H9 | 0.6° | 0.3° |
| O07 | C16 | C14 | C13 | 169.4° | 180.0° |
| O07 | C16 | C14 | C15 | 31.8° | 0.2° |
| C16 | C14 | C13 | C12 | 141.0° | 179.6° |
| C16 | C14 | C13 | C15 | 157.4° | 179.8° |
| C16 | C14 | C15 | C10 | 172.5° | 162.9° |
| C16 | C14 | C13 | H2 | 39.0° | 0.4° |
| C16 | C14 | C15 | H4 | 51.8° | 42.7° |
| C16 | C14 | C15 | H5 | 66.7° | 77.0° |
| C14 | C16 | O07 | H18 | 179.7° | 180.0° |
| O03 | C12 | C13 | C11 | 126.0° | 120.1° |
| O03 | C12 | C13 | H14 | 119.7° | 119.7° |
| O03 | C12 | C13 | C14 | 170.3° | 137.4° |
| O03 | C12 | C11 | H14 | 116.0° | 119.6° |
| O03 | C12 | C11 | C10 | 155.8° | 169.9° |
| O03 | C12 | C11 | O04 | 24.2° | 50.2° |
| O03 | C12 | C13 | H2 | 9.7° | 42.6° |
| O03 | C12 | C11 | H13 | 90.2° | 70.2° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | H14 | 115.3° | 120.2° |
| C12 | C13 | C14 | C15 | 16.4° | 0.6° |
| C13 | C12 | C11 | C10 | 27.2° | 49.7° |
| C13 | C12 | C11 | O04 | 104.4° | 69.9° |
| C13 | C12 | C11 | H13 | 141.1° | 169.6° |
| C14 | C13 | C12 | C11 | 44.3° | 17.3° |
| C13 | C14 | C15 | C10 | 28.6° | 17.3° |
| C13 | C14 | C15 | H4 | 149.3° | 137.5° |
| C13 | C14 | C15 | H5 | 92.2° | 102.8° |
| C14 | C13 | C12 | H14 | 70.0° | 102.9° |
| C12 | C11 | C10 | C15 | 11.5° | 68.1° |
| C12 | C11 | C10 | O04 | 131.9° | 119.7° |
| C12 | C11 | C10 | H13 | 113.6° | 119.9° |
| C12 | C11 | O04 | H13 | 113.1° | 120.6° |
| C12 | C11 | C10 | O05 | 131.0° | 51.7° |
| C12 | C11 | C10 | H1 | 109.8° | 172.1° |
| C11 | C12 | C13 | H2 | 135.7° | 162.7° |
| C12 | C11 | O04 | H16 | 180.0° | 61.0° |
| C14 | C15 | C10 | H4 | 120.7° | 120.2° |
| C14 | C15 | C10 | H5 | 120.7° | 120.0° |
| C14 | C15 | C10 | C11 | 39.9° | 49.8° |
| C14 | C15 | C10 | O05 | 156.3° | 69.9° |
| C14 | C15 | C10 | H1 | 81.6° | 169.7° |
| C15 | C14 | C13 | H2 | 163.6° | 179.4° |
| C14 | C15 | H4 | H5 | 117.8° | 119.6° |
| C15 | C10 | C11 | O05 | 119.5° | 119.8° |
| C15 | C10 | C11 | H1 | 121.4° | 119.8° |
| C15 | C10 | C11 | O04 | 143.5° | 51.5° |
| C15 | C10 | O05 | H1 | 120.6° | 120.3° |
| C10 | C15 | H4 | H5 | 117.9° | 119.7° |
| C15 | C10 | C11 | H13 | 102.1° | 172.0° |
| C15 | C10 | O05 | H17 | 180.0° | 60.4° |
| C10 | C11 | O04 | H13 | 113.5° | 120.4° |
| C11 | C10 | O05 | H1 | 117.6° | 120.4° |
| C11 | C10 | C15 | H4 | 160.6° | 170.1° |
| C11 | C10 | C15 | H5 | 80.8° | 70.2° |
| C10 | C11 | C12 | H14 | 88.1° | 70.4° |
| C10 | C11 | O04 | H16 | 46.5° | 180.0° |
| C11 | C10 | O05 | H17 | 58.2° | 179.6° |
| O04 | C11 | C10 | O05 | 97.1° | 171.3° |
| O04 | C11 | C10 | H1 | 22.1° | 68.3° |
| O04 | C11 | C12 | H14 | 140.2° | 169.9° |
| O05 | C10 | C15 | H4 | 83.0° | 50.3° |
| O05 | C10 | C15 | H5 | 35.6° | 170.0° |
| O05 | C10 | C11 | H13 | 17.4° | 68.3° |
| H1 | C10 | C15 | H4 | 39.1° | 70.1° |
| H1 | C10 | C15 | H5 | 157.7° | 49.7° |
| H1 | C10 | C11 | H13 | 136.5° | 52.1° |
| H1 | C10 | O05 | H17 | 59.4° | 60.0° |
| H2 | C13 | C12 | H14 | 110.0° | 77.1° |
| H6 | C02 | C03 | H7 | 0.3° | 0.1° |
| H8 | C05 | C06 | H9 | 1.2° | 0.2° |
| H11 | C07 | C08 | H12 | 179.2° | 180.0° |
| H13 | C11 | C12 | H14 | 25.8° | 49.4° |
| H13 | C11 | O04 | H16 | 66.9° | 59.5° |
