7FT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| CL | C06 | sing | 1.74Å | 1.76Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C09 | sing | 1.51Å | 1.54Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.32Å | Aromatic |
| C09 | C05 | sing | 1.46Å | 1.44Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.39Å | Aromatic |
| C28 | O27 | sing | 1.43Å | 1.41Å | |
| C05 | C04 | sing | 1.41Å | 1.37Å | Aromatic |
| N01 | C02 | doub | 1.33Å | 1.32Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
| O27 | C17 | sing | 1.36Å | 1.40Å | |
| C04 | N07 | sing | 1.37Å | 1.36Å | Aromatic |
| C04 | N03 | doub | 1.33Å | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.33Å | Aromatic |
| C02 | N11 | sing | 1.39Å | 1.43Å | |
| C29 | C16 | sing | 1.51Å | 1.53Å | |
| N07 | C12 | sing | 1.46Å | 1.46Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C18 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 119.8° | 120.0° |
| C24 | C25 | C20 | 120.7° | 120.0° |
| C25 | C24 | H4 | 120.1° | 120.0° |
| C24 | C25 | H19 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C23 | C24 | H4 | 120.1° | 120.0° |
| C24 | C23 | H18 | 120.1° | 120.0° |
| C25 | C20 | C19 | 117.9° | 120.0° |
| C25 | C20 | C21 | 119.9° | 120.0° |
| C20 | C25 | H19 | 119.7° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H3 | 119.9° | 120.0° |
| C22 | C23 | H18 | 120.1° | 120.0° |
| CL | C06 | C05 | 122.6° | 120.7° |
| CL | C06 | N01 | 116.9° | 120.7° |
| C19 | C20 | C21 | 122.2° | 120.0° |
| C20 | C19 | C09 | 114.3° | 109.5° |
| C20 | C19 | H16 | 108.2° | 109.5° |
| C20 | C19 | H17 | 108.2° | 109.4° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C20 | C21 | H2 | 120.3° | 120.0° |
| C19 | C09 | C05 | 125.7° | 126.6° |
| C19 | C09 | C08 | 128.8° | 126.6° |
| C09 | C19 | H16 | 108.2° | 109.5° |
| C09 | C19 | H17 | 108.3° | 109.5° |
| C22 | C21 | H2 | 120.2° | 120.0° |
| C21 | C22 | H3 | 119.8° | 120.0° |
| C05 | C06 | N01 | 120.5° | 118.6° |
| C06 | C05 | C09 | 136.0° | 135.0° |
| C06 | C05 | C04 | 117.0° | 118.8° |
| C06 | N01 | C02 | 120.3° | 121.0° |
| C05 | C09 | C08 | 105.4° | 106.8° |
| C09 | C05 | C04 | 107.0° | 106.2° |
| C09 | C08 | N07 | 108.8° | 109.9° |
| C09 | C08 | H11 | 125.6° | 125.0° |
| C28 | O27 | C17 | 115.7° | 117.0° |
| O27 | C28 | H8 | 109.5° | 109.4° |
| O27 | C28 | H9 | 109.4° | 109.4° |
| O27 | C28 | H10 | 109.5° | 109.5° |
| C05 | C04 | N07 | 108.4° | 107.1° |
| C05 | C04 | N03 | 120.5° | 118.6° |
| N01 | C02 | N03 | 122.3° | 122.5° |
| N01 | C02 | N11 | 117.9° | 118.8° |
| C08 | N07 | C04 | 110.3° | 110.0° |
| C08 | N07 | C12 | 126.6° | 125.0° |
| N07 | C08 | H11 | 125.6° | 125.1° |
| O27 | C17 | C16 | 121.1° | 120.8° |
| O27 | C17 | C18 | 120.6° | 120.9° |
| N07 | C04 | N03 | 131.1° | 134.2° |
| C04 | N07 | C12 | 123.0° | 125.0° |
| C04 | N03 | C02 | 119.5° | 120.4° |
| N03 | C02 | N11 | 119.8° | 118.7° |
| C02 | N11 | H12 | 109.5° | 120.0° |
| C02 | N11 | H13 | 109.5° | 120.0° |
| C29 | C16 | C17 | 121.4° | 120.5° |
| C29 | C16 | C15 | 119.8° | 120.4° |
| C16 | C29 | H20 | 109.5° | 109.5° |
| C16 | C29 | H21 | 109.5° | 109.5° |
| C16 | C29 | H22 | 109.5° | 109.4° |
| N07 | C12 | C13 | 111.6° | 109.5° |
| N07 | C12 | H14 | 108.9° | 109.5° |
| N07 | C12 | H15 | 108.9° | 109.5° |
| C16 | C17 | C18 | 118.3° | 118.3° |
| C17 | C16 | C15 | 118.9° | 119.1° |
| C17 | C18 | C26 | 119.0° | 120.4° |
| C17 | C18 | C13 | 120.1° | 119.1° |
| C26 | C18 | C13 | 120.9° | 120.4° |
| C18 | C26 | H5 | 109.5° | 109.5° |
| C18 | C26 | H6 | 109.5° | 109.5° |
| C18 | C26 | H7 | 109.5° | 109.5° |
| C16 | C15 | N14 | 121.3° | 120.8° |
| C16 | C15 | H1 | 119.3° | 119.6° |
| C18 | C13 | N14 | 119.1° | 120.8° |
| C18 | C13 | C12 | 122.7° | 119.6° |
| C15 | N14 | C13 | 122.4° | 121.9° |
| N14 | C15 | H1 | 119.4° | 119.6° |
| N14 | C13 | C12 | 118.1° | 119.6° |
| C13 | C12 | H14 | 108.9° | 109.5° |
| C13 | C12 | H15 | 108.9° | 109.5° |
| H5 | C26 | H6 | 109.4° | 109.5° |
| H5 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H8 | C28 | H10 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H12 | N11 | H13 | 109.5° | 120.0° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H22 | 109.4° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H4 | 180.0° | 179.5° |
| C24 | C25 | C20 | H19 | 180.0° | 179.5° |
| C25 | C24 | C23 | C22 | 0.1° | 0.3° |
| C24 | C25 | C20 | C19 | 179.9° | 179.7° |
| C24 | C25 | C20 | C21 | 0.8° | 0.5° |
| C25 | C24 | C23 | H18 | 179.9° | 180.0° |
| C23 | C24 | C25 | C20 | 0.6° | 0.5° |
| C24 | C23 | C22 | H18 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H3 | 179.7° | 180.0° |
| C23 | C24 | C25 | H19 | 179.4° | 180.0° |
| C25 | C20 | C19 | C21 | 179.2° | 179.7° |
| C25 | C20 | C19 | C09 | 121.2° | 85.2° |
| C25 | C20 | C21 | C22 | 0.4° | 0.3° |
| C25 | C20 | C21 | H2 | 179.6° | 179.8° |
| C20 | C25 | C24 | H4 | 179.4° | 180.0° |
| C25 | C20 | C19 | H16 | 118.1° | 34.8° |
| C25 | C20 | C19 | H17 | 0.5° | 154.8° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H3 | 180.0° | 179.9° |
| C23 | C22 | C21 | H2 | 179.8° | 180.0° |
| C22 | C23 | C24 | H4 | 179.9° | 179.8° |
| CL | C06 | C05 | N01 | 178.8° | 180.0° |
| CL | C06 | C05 | C09 | 1.0° | 0.1° |
| CL | C06 | C05 | C04 | 178.6° | 180.0° |
| CL | C06 | N01 | C02 | 178.8° | 180.0° |
| C20 | C19 | C09 | H16 | 120.7° | 120.0° |
| C20 | C19 | C09 | H17 | 120.7° | 120.0° |
| C19 | C20 | C21 | C22 | 179.5° | 180.0° |
| C20 | C19 | C09 | C05 | 178.3° | 175.0° |
| C20 | C19 | C09 | C08 | 0.5° | 5.0° |
| C19 | C20 | C21 | H2 | 0.5° | 0.0° |
| C20 | C19 | H16 | H17 | 117.8° | 120.0° |
| C19 | C20 | C25 | H19 | 0.1° | 0.3° |
| C21 | C20 | C19 | C09 | 59.6° | 94.6° |
| C20 | C21 | C22 | H2 | 180.0° | 179.9° |
| C20 | C21 | C22 | H3 | 179.8° | 180.0° |
| C21 | C20 | C19 | H16 | 61.1° | 145.4° |
| C21 | C20 | C19 | H17 | 179.7° | 25.4° |
| C21 | C20 | C25 | H19 | 179.2° | 180.0° |
| C19 | C09 | C05 | C06 | 1.1° | 0.0° |
| C19 | C09 | C05 | C08 | 179.0° | 180.0° |
| C19 | C09 | C05 | C04 | 179.3° | 180.0° |
| C19 | C09 | C08 | N07 | 179.6° | 180.0° |
| C19 | C09 | C08 | H11 | 0.4° | 0.1° |
| C09 | C19 | H16 | H17 | 117.8° | 120.0° |
| C21 | C22 | C23 | H18 | 179.7° | 179.7° |
| C06 | C05 | C09 | C04 | 179.6° | 180.0° |
| C06 | C05 | C09 | C08 | 179.8° | 180.0° |
| C05 | C06 | N01 | C02 | 0.1° | 0.0° |
| C06 | C05 | C04 | N07 | 178.7° | 180.0° |
| C06 | C05 | C04 | N03 | 0.0° | 0.0° |
| N01 | C06 | C05 | C09 | 179.8° | 180.0° |
| N01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | N01 | C02 | N03 | 0.1° | 0.1° |
| C06 | N01 | C02 | N11 | 179.2° | 180.0° |
| C05 | C09 | C08 | N07 | 1.4° | 0.0° |
| C09 | C05 | C04 | N07 | 1.0° | 0.0° |
| C09 | C05 | C04 | N03 | 179.7° | 180.0° |
| C05 | C09 | C08 | H11 | 178.6° | 179.9° |
| C05 | C09 | C19 | H16 | 57.6° | 65.0° |
| C05 | C09 | C19 | H17 | 60.9° | 55.1° |
| C08 | C09 | C05 | C04 | 0.2° | 0.0° |
| C09 | C08 | N07 | H11 | 180.0° | 179.9° |
| C09 | C08 | N07 | C04 | 2.1° | 0.0° |
| C09 | C08 | N07 | C12 | 179.5° | 180.0° |
| C08 | C09 | C19 | H16 | 121.2° | 115.0° |
| C08 | C09 | C19 | H17 | 120.2° | 124.9° |
| C28 | O27 | C17 | C16 | 78.8° | 90.1° |
| C28 | O27 | C17 | C18 | 103.1° | 90.8° |
| O27 | C28 | H8 | H9 | 120.0° | 120.0° |
| O27 | C28 | H8 | H10 | 120.0° | 120.0° |
| O27 | C28 | H9 | H10 | 120.0° | 120.0° |
| C05 | C04 | N07 | C08 | 1.9° | 0.0° |
| C05 | C04 | N07 | N03 | 178.5° | 179.9° |
| C05 | C04 | N03 | C02 | 0.2° | 0.1° |
| C05 | C04 | N07 | C12 | 179.4° | 180.0° |
| N01 | C02 | N03 | C04 | 0.3° | 0.1° |
| N01 | C02 | N03 | N11 | 179.3° | 179.9° |
| N01 | C02 | N11 | H12 | 0.0° | 0.0° |
| N01 | C02 | N11 | H13 | 120.0° | 179.9° |
| C08 | N07 | C04 | C12 | 177.5° | 180.0° |
| C08 | N07 | C04 | N03 | 179.5° | 179.9° |
| C08 | N07 | C12 | C13 | 64.4° | 100.1° |
| C08 | N07 | C12 | H14 | 55.9° | 139.8° |
| C08 | N07 | C12 | H15 | 175.3° | 19.9° |
| O27 | C17 | C16 | C29 | 0.4° | 0.8° |
| O27 | C17 | C16 | C18 | 178.2° | 179.1° |
| O27 | C17 | C18 | C26 | 1.1° | 0.3° |
| O27 | C17 | C16 | C15 | 179.1° | 180.0° |
| O27 | C17 | C18 | C13 | 180.0° | 179.7° |
| C17 | O27 | C28 | H8 | 180.0° | 180.0° |
| C17 | O27 | C28 | H9 | 60.0° | 60.1° |
| C17 | O27 | C28 | H10 | 60.0° | 60.0° |
| N07 | C04 | N03 | C02 | 178.6° | 180.0° |
| C04 | N07 | C12 | C13 | 118.5° | 79.9° |
| C04 | N07 | C08 | H11 | 177.9° | 179.9° |
| C04 | N07 | C12 | H14 | 121.2° | 40.2° |
| C04 | N07 | C12 | H15 | 1.8° | 160.1° |
| C04 | N03 | C02 | N11 | 179.0° | 180.0° |
| N03 | C04 | N07 | C12 | 2.0° | 0.1° |
| N03 | C02 | N11 | H12 | 179.3° | 179.9° |
| N03 | C02 | N11 | H13 | 60.7° | 0.0° |
| C02 | N11 | H12 | H13 | 120.0° | 179.9° |
| C29 | C16 | C17 | C15 | 179.4° | 179.2° |
| C29 | C16 | C17 | C18 | 178.5° | 179.9° |
| C29 | C16 | C15 | N14 | 179.1° | 179.8° |
| C29 | C16 | C15 | H1 | 0.9° | 0.3° |
| C16 | C29 | H20 | H21 | 120.0° | 120.1° |
| C16 | C29 | H20 | H22 | 120.0° | 120.0° |
| C16 | C29 | H21 | H22 | 120.0° | 120.0° |
| N07 | C12 | C13 | C18 | 75.3° | 85.0° |
| N07 | C12 | C13 | N14 | 107.0° | 94.7° |
| N07 | C12 | C13 | H14 | 120.3° | 120.0° |
| N07 | C12 | C13 | H15 | 120.3° | 120.0° |
| C12 | N07 | C08 | H11 | 0.5° | 0.1° |
| N07 | C12 | H14 | H15 | 119.0° | 120.0° |
| C16 | C17 | C18 | C26 | 179.3° | 179.5° |
| C16 | C17 | C18 | C13 | 1.8° | 0.6° |
| C17 | C16 | C15 | N14 | 0.3° | 0.6° |
| C17 | C16 | C15 | H1 | 179.7° | 179.5° |
| C17 | C16 | C29 | H20 | 90.3° | 90.0° |
| C17 | C16 | C29 | H21 | 149.7° | 149.9° |
| C17 | C16 | C29 | H22 | 29.7° | 30.0° |
| C17 | C18 | C26 | C13 | 178.9° | 179.9° |
| C18 | C17 | C16 | C15 | 0.9° | 0.9° |
| C17 | C18 | C13 | N14 | 2.1° | 0.0° |
| C17 | C18 | C13 | C12 | 179.8° | 179.7° |
| C17 | C18 | C26 | H5 | 90.5° | 95.6° |
| C17 | C18 | C26 | H6 | 149.5° | 144.4° |
| C17 | C18 | C26 | H7 | 29.5° | 24.4° |
| C26 | C18 | C13 | N14 | 179.0° | 180.0° |
| C26 | C18 | C13 | C12 | 1.3° | 0.3° |
| C18 | C26 | H5 | H6 | 120.0° | 120.0° |
| C18 | C26 | H5 | H7 | 120.0° | 120.0° |
| C18 | C26 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | N14 | H1 | 180.0° | 179.9° |
| C16 | C15 | N14 | C13 | 0.7° | 0.1° |
| C15 | C16 | C29 | H20 | 90.3° | 90.9° |
| C15 | C16 | C29 | H21 | 29.7° | 29.2° |
| C15 | C16 | C29 | H22 | 149.7° | 149.2° |
| C18 | C13 | N14 | C15 | 1.6° | 0.2° |
| C18 | C13 | N14 | C12 | 177.8° | 179.7° |
| C13 | C18 | C26 | H5 | 90.5° | 84.3° |
| C13 | C18 | C26 | H6 | 29.4° | 35.7° |
| C13 | C18 | C26 | H7 | 149.4° | 155.7° |
| C18 | C13 | C12 | H14 | 164.4° | 154.9° |
| C18 | C13 | C12 | H15 | 45.1° | 35.0° |
| C15 | N14 | C13 | C12 | 179.3° | 180.0° |
| C13 | N14 | C15 | H1 | 179.3° | 180.0° |
| N14 | C13 | C12 | H14 | 13.3° | 25.3° |
| N14 | C13 | C12 | H15 | 132.6° | 145.3° |
| C13 | C12 | H14 | H15 | 119.0° | 120.0° |
| H2 | C21 | C22 | H3 | 0.2° | 0.1° |
| H3 | C22 | C23 | H18 | 0.3° | 0.3° |
| H4 | C24 | C23 | H18 | 0.1° | 0.5° |
| H4 | C24 | C25 | H19 | 0.7° | 0.5° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H8 | C28 | H9 | H10 | 120.0° | 120.1° |
| H20 | C29 | H21 | H22 | 120.0° | 120.0° |
