6FT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | S18 | doub | 1.42Å | 1.47Å | |
| O21 | S18 | doub | 1.42Å | 1.46Å | |
| S18 | N20 | sing | 1.66Å | 1.71Å | |
| S18 | C17 | sing | 1.76Å | 1.81Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| O28 | C27 | sing | 1.36Å | 1.40Å | |
| O05 | C04 | doub | 1.21Å | 1.26Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C27 | sing | 1.42Å | 1.49Å | |
| C02 | C03 | sing | 1.47Å | 1.49Å | |
| C27 | C26 | doub | 1.35Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.52Å | |
| C04 | C03 | sing | 1.47Å | 1.53Å | |
| C04 | O06 | sing | 1.35Å | 1.26Å | |
| C03 | C07 | doub | 1.38Å | 1.53Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | N08 | sing | 1.36Å | 1.49Å | |
| C07 | N08 | sing | 1.34Å | 1.49Å | |
| N08 | C09 | sing | 1.47Å | 1.46Å | |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C10 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| O06 | H1 | sing | 0.97Å | 0.95Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| N20 | H10 | sing | 0.97Å | 1.00Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | S18 | O21 | 101.4° | 123.1° |
| O19 | S18 | N20 | 111.1° | 106.4° |
| O19 | S18 | C17 | 111.0° | 106.4° |
| O21 | S18 | N20 | 111.5° | 106.4° |
| O21 | S18 | C17 | 111.3° | 106.4° |
| N20 | S18 | C17 | 110.2° | 107.2° |
| S18 | N20 | H9 | 109.5° | 120.0° |
| S18 | N20 | H10 | 109.5° | 120.0° |
| S18 | C17 | C16 | 119.3° | 119.9° |
| S18 | C17 | C22 | 120.4° | 119.9° |
| C17 | C16 | C15 | 119.7° | 120.2° |
| C16 | C17 | C22 | 120.3° | 120.2° |
| C17 | C16 | H8 | 120.1° | 119.9° |
| C16 | C15 | C14 | 120.1° | 119.8° |
| C16 | C15 | H7 | 119.9° | 120.1° |
| C15 | C16 | H8 | 120.2° | 120.0° |
| C17 | C22 | C23 | 120.1° | 120.1° |
| C17 | C22 | H11 | 120.0° | 119.9° |
| O01 | C02 | C27 | 119.8° | 121.1° |
| O01 | C02 | C03 | 120.3° | 121.0° |
| C15 | C14 | C23 | 120.4° | 119.8° |
| C15 | C14 | C13 | 117.9° | 120.1° |
| C14 | C15 | H7 | 120.0° | 120.1° |
| O28 | C27 | C02 | 119.5° | 120.3° |
| O28 | C27 | C26 | 120.5° | 120.4° |
| C27 | O28 | H16 | 109.5° | 114.0° |
| O05 | C04 | C03 | 119.9° | 120.0° |
| O05 | C04 | O06 | 120.1° | 120.0° |
| C22 | C23 | C14 | 119.5° | 119.9° |
| C23 | C22 | H11 | 120.0° | 120.0° |
| C22 | C23 | H12 | 120.3° | 120.0° |
| C27 | C02 | C03 | 119.9° | 117.9° |
| C02 | C27 | C26 | 120.0° | 119.3° |
| C02 | C03 | C04 | 119.8° | 120.9° |
| C02 | C03 | C07 | 120.1° | 118.3° |
| C27 | C26 | N08 | 120.6° | 121.7° |
| C27 | C26 | H15 | 119.7° | 119.1° |
| C11 | C12 | C13 | 120.7° | 119.9° |
| C12 | C11 | C10 | 120.5° | 120.1° |
| C12 | C11 | H5 | 119.7° | 120.0° |
| C11 | C12 | H6 | 119.6° | 120.0° |
| C12 | C13 | C14 | 118.2° | 120.1° |
| C12 | C13 | C24 | 119.8° | 119.8° |
| C13 | C12 | H6 | 119.6° | 120.1° |
| C23 | C14 | C13 | 121.7° | 120.1° |
| C14 | C23 | H12 | 120.2° | 120.1° |
| C14 | C13 | C24 | 121.9° | 120.1° |
| C03 | C04 | O06 | 120.0° | 120.0° |
| C04 | C03 | C07 | 120.2° | 120.9° |
| C04 | O06 | H1 | 109.5° | 116.9° |
| C03 | C07 | N08 | 120.5° | 120.4° |
| C03 | C07 | H2 | 119.7° | 119.8° |
| C11 | C10 | C09 | 121.0° | 119.8° |
| C11 | C10 | C25 | 118.3° | 120.2° |
| C10 | C11 | H5 | 119.7° | 119.9° |
| C13 | C24 | C25 | 118.9° | 119.8° |
| C13 | C24 | H13 | 120.5° | 120.1° |
| C26 | N08 | C07 | 118.9° | 122.4° |
| C26 | N08 | C09 | 121.7° | 118.8° |
| N08 | C26 | H15 | 119.7° | 119.2° |
| C07 | N08 | C09 | 119.4° | 118.7° |
| N08 | C07 | H2 | 119.8° | 119.8° |
| N08 | C09 | C10 | 114.9° | 109.5° |
| N08 | C09 | H3 | 108.1° | 109.4° |
| N08 | C09 | H4 | 108.1° | 109.5° |
| C09 | C10 | C25 | 120.7° | 119.9° |
| C10 | C09 | H3 | 108.1° | 109.5° |
| C10 | C09 | H4 | 108.1° | 109.5° |
| C10 | C25 | C24 | 121.7° | 120.2° |
| C10 | C25 | H14 | 119.1° | 119.9° |
| C25 | C24 | H13 | 120.5° | 120.1° |
| C24 | C25 | H14 | 119.2° | 119.9° |
| H3 | C09 | H4 | 109.5° | 109.4° |
| H9 | N20 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | S18 | O21 | N20 | 118.3° | 122.9° |
| O19 | S18 | O21 | C17 | 118.2° | 123.0° |
| O19 | S18 | N20 | C17 | 123.5° | 113.6° |
| O19 | S18 | C17 | C16 | 41.1° | 23.6° |
| O19 | S18 | C17 | C22 | 138.7° | 156.5° |
| O19 | S18 | N20 | H9 | 180.0° | 113.5° |
| O19 | S18 | N20 | H10 | 60.0° | 66.4° |
| O21 | S18 | N20 | C17 | 124.2° | 113.5° |
| O21 | S18 | C17 | C16 | 153.3° | 156.5° |
| O21 | S18 | C17 | C22 | 26.5° | 23.6° |
| O21 | S18 | N20 | H9 | 67.7° | 113.6° |
| O21 | S18 | N20 | H10 | 52.3° | 66.5° |
| N20 | S18 | C17 | C16 | 82.4° | 90.0° |
| N20 | S18 | C17 | C22 | 97.8° | 89.9° |
| S18 | N20 | H9 | H10 | 120.0° | 179.9° |
| S18 | C17 | C16 | C22 | 179.9° | 180.0° |
| S18 | C17 | C16 | C15 | 180.0° | 180.0° |
| S18 | C17 | C22 | C23 | 180.0° | 180.0° |
| S18 | C17 | C16 | H8 | 0.0° | 0.1° |
| C17 | S18 | N20 | H9 | 56.5° | 0.1° |
| C17 | S18 | N20 | H10 | 176.5° | 180.0° |
| S18 | C17 | C22 | H11 | 0.0° | 0.1° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C16 | C17 | C22 | C23 | 0.1° | 0.0° |
| C17 | C16 | C15 | H7 | 179.8° | 180.0° |
| C16 | C17 | C22 | H11 | 179.9° | 180.0° |
| C15 | C16 | C17 | C22 | 0.2° | 0.0° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | C23 | 0.1° | 0.0° |
| C16 | C15 | C14 | C13 | 179.9° | 179.7° |
| C17 | C22 | C23 | H11 | 180.0° | 179.9° |
| C17 | C22 | C23 | C14 | 0.1° | 0.0° |
| C22 | C17 | C16 | H8 | 179.8° | 180.0° |
| C17 | C22 | C23 | H12 | 179.9° | 179.7° |
| O01 | C02 | C27 | O28 | 0.0° | 0.1° |
| O01 | C02 | C27 | C03 | 179.9° | 179.7° |
| O01 | C02 | C27 | C26 | 179.7° | 179.7° |
| O01 | C02 | C03 | C04 | 0.2° | 0.0° |
| O01 | C02 | C03 | C07 | 179.9° | 180.0° |
| C15 | C14 | C23 | C22 | 0.1° | 0.0° |
| C15 | C14 | C13 | C12 | 40.3° | 0.2° |
| C15 | C14 | C23 | C13 | 180.0° | 179.8° |
| C15 | C14 | C13 | C24 | 139.3° | 179.7° |
| C14 | C15 | C16 | H8 | 179.8° | 180.0° |
| C15 | C14 | C23 | H12 | 179.9° | 179.7° |
| O28 | C27 | C02 | C26 | 179.7° | 179.7° |
| O28 | C27 | C02 | C03 | 179.9° | 179.7° |
| O28 | C27 | C26 | N08 | 179.3° | 179.7° |
| O28 | C27 | C26 | H15 | 0.7° | 0.1° |
| O05 | C04 | C03 | C02 | 12.7° | 180.0° |
| O05 | C04 | C03 | O06 | 179.7° | 179.9° |
| O05 | C04 | C03 | C07 | 167.5° | 0.1° |
| O05 | C04 | O06 | H1 | 0.0° | 0.0° |
| C22 | C23 | C14 | H12 | 180.0° | 179.7° |
| C22 | C23 | C14 | C13 | 179.9° | 179.7° |
| C27 | C02 | C03 | C04 | 179.9° | 179.7° |
| C27 | C02 | C03 | C07 | 0.0° | 0.3° |
| C02 | C27 | C26 | N08 | 1.1° | 0.6° |
| C02 | C27 | C26 | H15 | 178.9° | 179.8° |
| C02 | C27 | O28 | H16 | 0.0° | 0.1° |
| C03 | C02 | C27 | C26 | 0.4° | 0.6° |
| C02 | C03 | C04 | C07 | 179.9° | 180.0° |
| C02 | C03 | C04 | O06 | 167.0° | 0.1° |
| C02 | C03 | C07 | N08 | 0.3° | 0.0° |
| C02 | C03 | C07 | H2 | 179.7° | 180.0° |
| C27 | C26 | N08 | H15 | 180.0° | 179.6° |
| C27 | C26 | N08 | C07 | 1.4° | 0.3° |
| C27 | C26 | N08 | C09 | 179.9° | 179.7° |
| C26 | C27 | O28 | H16 | 179.7° | 179.7° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C24 | 0.3° | 0.0° |
| C12 | C11 | C10 | C09 | 179.5° | 180.0° |
| C12 | C11 | C10 | C25 | 0.2° | 0.3° |
| C12 | C13 | C14 | C23 | 139.7° | 180.0° |
| C12 | C13 | C14 | C24 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C24 | C25 | 0.2° | 0.3° |
| C13 | C12 | C11 | H5 | 179.6° | 179.9° |
| C12 | C13 | C24 | H13 | 179.8° | 180.0° |
| C23 | C14 | C13 | C24 | 40.7° | 0.0° |
| C23 | C14 | C15 | H7 | 179.9° | 180.0° |
| C14 | C23 | C22 | H11 | 180.0° | 180.0° |
| C14 | C13 | C24 | C25 | 179.7° | 179.7° |
| C14 | C13 | C12 | H6 | 0.0° | 0.0° |
| C13 | C14 | C15 | H7 | 0.1° | 0.3° |
| C13 | C14 | C23 | H12 | 0.1° | 0.0° |
| C14 | C13 | C24 | H13 | 0.2° | 0.1° |
| C04 | C03 | C07 | N08 | 179.8° | 180.0° |
| C03 | C04 | O06 | H1 | 179.6° | 179.9° |
| C04 | C03 | C07 | H2 | 0.2° | 0.0° |
| O06 | C04 | C03 | C07 | 12.9° | 180.0° |
| C03 | C07 | N08 | C26 | 1.0° | 0.0° |
| C03 | C07 | N08 | H2 | 180.0° | 180.0° |
| C03 | C07 | N08 | C09 | 179.6° | 180.0° |
| C11 | C10 | C09 | N08 | 9.1° | 89.8° |
| C11 | C10 | C09 | C25 | 179.7° | 179.7° |
| C11 | C10 | C25 | C24 | 0.0° | 0.6° |
| C11 | C10 | C09 | H3 | 111.7° | 150.3° |
| C11 | C10 | C09 | H4 | 129.9° | 30.3° |
| C10 | C11 | C12 | H6 | 179.6° | 180.0° |
| C11 | C10 | C25 | H14 | 180.0° | 179.7° |
| C13 | C24 | C25 | C10 | 0.0° | 0.6° |
| C13 | C24 | C25 | H13 | 180.0° | 179.7° |
| C24 | C13 | C12 | H6 | 179.6° | 180.0° |
| C13 | C24 | C25 | H14 | 180.0° | 179.7° |
| C26 | N08 | C07 | C09 | 178.6° | 180.0° |
| C26 | N08 | C09 | C10 | 69.4° | 90.0° |
| C26 | N08 | C07 | H2 | 179.0° | 180.0° |
| C26 | N08 | C09 | H3 | 51.4° | 30.0° |
| C26 | N08 | C09 | H4 | 169.8° | 150.0° |
| C07 | N08 | C09 | C10 | 112.0° | 90.0° |
| C07 | N08 | C09 | H3 | 127.2° | 150.0° |
| C07 | N08 | C09 | H4 | 8.8° | 30.0° |
| C07 | N08 | C26 | H15 | 178.7° | 179.9° |
| N08 | C09 | C10 | H3 | 120.8° | 120.0° |
| N08 | C09 | C10 | H4 | 120.8° | 120.0° |
| N08 | C09 | C10 | C25 | 171.2° | 90.0° |
| C09 | N08 | C07 | H2 | 0.4° | 0.0° |
| N08 | C09 | H3 | H4 | 117.5° | 119.9° |
| C09 | N08 | C26 | H15 | 0.1° | 0.1° |
| C09 | C10 | C25 | C24 | 179.7° | 179.7° |
| C10 | C09 | H3 | H4 | 117.6° | 120.1° |
| C09 | C10 | C11 | H5 | 0.5° | 0.0° |
| C09 | C10 | C25 | H14 | 0.3° | 0.0° |
| C10 | C25 | C24 | H14 | 180.0° | 179.7° |
| C25 | C10 | C09 | H3 | 68.0° | 30.0° |
| C25 | C10 | C09 | H4 | 50.4° | 150.0° |
| C25 | C10 | C11 | H5 | 179.8° | 179.8° |
| C10 | C25 | C24 | H13 | 180.0° | 179.7° |
| H5 | C11 | C12 | H6 | 0.4° | 0.0° |
| H7 | C15 | C16 | H8 | 0.2° | 0.0° |
| H11 | C22 | C23 | H12 | 0.1° | 0.3° |
| H13 | C24 | C25 | H14 | 0.0° | 0.1° |
