6FF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C12 | sing | 1.35Å | 1.35Å | |
| N11 | N10 | sing | 1.40Å | 1.40Å | |
| O20 | C12 | doub | 1.22Å | 1.23Å | |
| C12 | N13 | sing | 1.35Å | 1.35Å | |
| N10 | C9 | doub | 1.30Å | 1.32Å | |
| F29 | C15 | sing | 1.35Å | 1.35Å | |
| N13 | C9 | sing | 1.38Å | 1.39Å | |
| N13 | C14 | sing | 1.40Å | 1.41Å | |
| C9 | C4 | sing | 1.48Å | 1.47Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C14 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| O8 | C3 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | N24 | sing | 1.46Å | 1.48Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | S21 | sing | 1.76Å | 1.78Å | |
| N24 | C28 | sing | 1.47Å | 1.47Å | |
| N24 | S21 | sing | 1.66Å | 1.66Å | |
| O22 | S21 | doub | 1.42Å | 1.43Å | |
| C1 | O7 | sing | 1.36Å | 1.35Å | |
| S21 | O23 | doub | 1.42Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| O7 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| N11 | H10 | sing | 0.97Å | 1.00Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | N10 | 108.8° | 107.5° |
| N11 | C12 | O20 | 126.9° | 126.2° |
| N11 | C12 | N13 | 107.5° | 107.7° |
| C12 | N11 | H10 | 125.6° | 126.2° |
| N11 | N10 | C9 | 106.6° | 108.1° |
| N10 | N11 | H10 | 125.6° | 126.3° |
| O20 | C12 | N13 | 125.6° | 126.2° |
| C12 | N13 | C9 | 107.5° | 108.3° |
| C12 | N13 | C14 | 125.2° | 125.9° |
| N10 | C9 | N13 | 109.5° | 108.5° |
| N10 | C9 | C4 | 126.5° | 125.8° |
| F29 | C15 | C14 | 117.8° | 120.1° |
| F29 | C15 | C16 | 121.7° | 120.1° |
| C9 | N13 | C14 | 127.3° | 125.8° |
| N13 | C9 | C4 | 124.0° | 125.8° |
| N13 | C14 | C15 | 118.9° | 120.1° |
| N13 | C14 | C19 | 121.5° | 120.1° |
| C9 | C4 | C3 | 120.9° | 120.1° |
| C9 | C4 | C5 | 118.8° | 120.1° |
| C14 | C15 | C16 | 120.5° | 119.9° |
| C15 | C14 | C19 | 119.5° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.1° |
| C15 | C16 | H2 | 120.3° | 120.0° |
| C27 | C26 | C25 | 108.4° | 109.5° |
| C26 | C27 | H4 | 109.5° | 109.5° |
| C26 | C27 | H5 | 109.4° | 109.5° |
| C26 | C27 | H6 | 109.5° | 109.5° |
| C27 | C26 | H15 | 109.8° | 109.5° |
| C27 | C26 | H16 | 109.7° | 109.5° |
| C14 | C19 | C18 | 119.9° | 119.9° |
| C14 | C19 | H3 | 120.1° | 120.0° |
| O8 | C3 | C4 | 119.0° | 120.1° |
| O8 | C3 | C2 | 120.9° | 120.1° |
| C3 | O8 | H9 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.2° | 119.8° |
| C4 | C3 | C2 | 120.1° | 119.8° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C4 | C5 | H7 | 119.9° | 120.0° |
| C3 | C2 | C1 | 119.0° | 120.0° |
| C3 | C2 | H1 | 120.5° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.1° |
| C17 | C16 | H2 | 120.3° | 119.9° |
| C16 | C17 | H11 | 119.8° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.2° |
| C5 | C6 | S21 | 116.9° | 119.9° |
| C6 | C5 | H7 | 119.9° | 120.0° |
| C26 | C25 | N24 | 114.1° | 109.5° |
| C26 | C25 | H13 | 108.3° | 109.5° |
| C26 | C25 | H14 | 108.3° | 109.4° |
| C25 | C26 | H15 | 109.7° | 109.5° |
| C25 | C26 | H16 | 109.7° | 109.5° |
| C25 | N24 | C28 | 120.0° | 120.0° |
| C25 | N24 | S21 | 120.1° | 120.0° |
| N24 | C25 | H13 | 108.3° | 109.5° |
| N24 | C25 | H14 | 108.3° | 109.5° |
| C19 | C18 | C17 | 120.2° | 120.1° |
| C18 | C19 | H3 | 120.0° | 120.0° |
| C19 | C18 | H12 | 119.9° | 119.9° |
| C2 | C1 | C6 | 120.5° | 120.2° |
| C2 | C1 | O7 | 118.7° | 119.9° |
| C1 | C2 | H1 | 120.5° | 120.0° |
| C18 | C17 | H11 | 119.8° | 119.9° |
| C17 | C18 | H12 | 119.9° | 119.9° |
| C1 | C6 | S21 | 123.3° | 119.9° |
| C6 | C1 | O7 | 120.6° | 119.9° |
| C6 | S21 | N24 | 101.5° | 107.2° |
| C6 | S21 | O22 | 107.6° | 106.4° |
| C6 | S21 | O23 | 104.4° | 106.4° |
| C28 | N24 | S21 | 119.3° | 120.0° |
| N24 | C28 | H17 | 109.5° | 109.4° |
| N24 | C28 | H18 | 109.5° | 109.5° |
| N24 | C28 | H19 | 109.4° | 109.5° |
| N24 | S21 | O22 | 108.3° | 106.4° |
| N24 | S21 | O23 | 112.1° | 106.4° |
| O22 | S21 | O23 | 120.9° | 123.2° |
| C1 | O7 | H8 | 109.5° | 114.1° |
| H4 | C27 | H5 | 109.4° | 109.5° |
| H4 | C27 | H6 | 109.5° | 109.5° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.4° | 109.5° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N11 | N10 | H10 | 180.0° | 179.8° |
| N11 | C12 | O20 | N13 | 179.6° | 179.5° |
| C12 | N11 | N10 | C9 | 1.7° | 0.0° |
| N11 | C12 | N13 | C9 | 0.9° | 0.4° |
| N11 | C12 | N13 | C14 | 178.9° | 180.0° |
| N10 | N11 | C12 | O20 | 179.2° | 179.9° |
| N10 | N11 | C12 | N13 | 0.4° | 0.3° |
| N11 | N10 | C9 | N13 | 2.2° | 0.3° |
| N11 | N10 | C9 | C4 | 179.7° | 180.0° |
| O20 | C12 | N13 | C9 | 179.4° | 180.0° |
| O20 | C12 | N13 | C14 | 0.7° | 0.4° |
| O20 | C12 | N11 | H10 | 0.7° | 0.4° |
| C12 | N13 | C9 | N10 | 2.0° | 0.4° |
| C12 | N13 | C9 | C14 | 179.9° | 179.5° |
| C12 | N13 | C9 | C4 | 179.6° | 179.8° |
| C12 | N13 | C14 | C15 | 69.1° | 89.7° |
| C12 | N13 | C14 | C19 | 108.2° | 90.0° |
| N13 | C12 | N11 | H10 | 179.6° | 180.0° |
| N10 | C9 | N13 | C4 | 177.6° | 179.7° |
| N10 | C9 | N13 | C14 | 177.8° | 180.0° |
| N10 | C9 | C4 | C3 | 47.5° | 5.5° |
| N10 | C9 | C4 | C5 | 131.4° | 174.5° |
| C9 | N10 | N11 | H10 | 178.4° | 179.7° |
| F29 | C15 | C14 | N13 | 2.0° | 0.4° |
| F29 | C15 | C14 | C16 | 178.5° | 179.9° |
| F29 | C15 | C14 | C19 | 179.4° | 180.0° |
| F29 | C15 | C16 | C17 | 179.5° | 180.0° |
| F29 | C15 | C16 | H2 | 0.5° | 0.1° |
| C9 | N13 | C14 | C15 | 111.0° | 89.8° |
| C9 | N13 | C14 | C19 | 71.6° | 90.6° |
| N13 | C9 | C4 | C3 | 129.7° | 174.2° |
| N13 | C9 | C4 | C5 | 51.4° | 5.8° |
| C14 | N13 | C9 | C4 | 0.3° | 0.3° |
| N13 | C14 | C15 | C19 | 177.4° | 179.7° |
| N13 | C14 | C15 | C16 | 179.4° | 179.7° |
| N13 | C14 | C19 | C18 | 179.8° | 179.7° |
| N13 | C14 | C19 | H3 | 0.2° | 0.3° |
| C9 | C4 | C3 | O8 | 3.2° | 0.1° |
| C9 | C4 | C3 | C5 | 178.9° | 180.0° |
| C9 | C4 | C3 | C2 | 175.1° | 180.0° |
| C9 | C4 | C5 | C6 | 172.4° | 179.7° |
| C9 | C4 | C5 | H7 | 7.6° | 0.0° |
| C14 | C15 | C16 | C17 | 1.0° | 0.1° |
| C15 | C14 | C19 | C18 | 2.5° | 0.1° |
| C14 | C15 | C16 | H2 | 179.0° | 180.0° |
| C15 | C14 | C19 | H3 | 177.5° | 179.9° |
| C16 | C15 | C14 | C19 | 2.0° | 0.1° |
| C15 | C16 | C17 | H2 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C15 | C16 | C17 | H11 | 179.6° | 180.0° |
| C27 | C26 | C25 | H15 | 119.9° | 120.0° |
| C27 | C26 | C25 | H16 | 119.9° | 120.0° |
| C27 | C26 | C25 | N24 | 172.5° | 180.0° |
| C26 | C27 | H4 | H5 | 120.0° | 120.0° |
| C26 | C27 | H4 | H6 | 120.0° | 120.0° |
| C26 | C27 | H5 | H6 | 120.0° | 120.0° |
| C27 | C26 | C25 | H13 | 66.8° | 60.0° |
| C27 | C26 | C25 | H14 | 51.8° | 60.0° |
| C27 | C26 | H15 | H16 | 120.5° | 120.0° |
| C14 | C19 | C18 | H3 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 1.9° | 0.1° |
| C14 | C19 | C18 | H12 | 178.1° | 180.0° |
| O8 | C3 | C4 | C2 | 178.4° | 179.9° |
| O8 | C3 | C4 | C5 | 175.6° | 179.9° |
| O8 | C3 | C2 | C1 | 177.6° | 180.0° |
| O8 | C3 | C2 | H1 | 2.4° | 0.1° |
| C3 | C4 | C5 | C6 | 8.8° | 0.2° |
| C4 | C3 | C2 | C1 | 4.1° | 0.1° |
| C4 | C3 | C2 | H1 | 175.9° | 180.0° |
| C3 | C4 | C5 | H7 | 171.2° | 180.0° |
| C4 | C3 | O8 | H9 | 180.0° | 90.1° |
| C5 | C4 | C3 | C2 | 6.0° | 0.0° |
| C4 | C5 | C6 | H7 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 9.5° | 0.5° |
| C4 | C5 | C6 | S21 | 179.5° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 5.0° | 0.2° |
| C3 | C2 | C1 | O7 | 179.9° | 180.0° |
| C2 | C3 | O8 | H9 | 1.6° | 90.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | H12 | 179.1° | 180.0° |
| C5 | C6 | C1 | C2 | 7.6° | 0.4° |
| C5 | C6 | C1 | S21 | 170.4° | 179.5° |
| C5 | C6 | S21 | N24 | 89.8° | 115.0° |
| C5 | C6 | S21 | O22 | 23.9° | 131.5° |
| C5 | C6 | C1 | O7 | 177.5° | 179.7° |
| C5 | C6 | S21 | O23 | 153.5° | 1.5° |
| C26 | C25 | N24 | H13 | 120.7° | 120.0° |
| C26 | C25 | N24 | H14 | 120.7° | 120.0° |
| C26 | C25 | N24 | C28 | 62.1° | 85.0° |
| C26 | C25 | N24 | S21 | 126.6° | 95.0° |
| C25 | C26 | C27 | H4 | 180.0° | 180.0° |
| C25 | C26 | C27 | H5 | 60.0° | 60.0° |
| C25 | C26 | C27 | H6 | 60.0° | 60.0° |
| C26 | C25 | H13 | H14 | 117.9° | 119.9° |
| C25 | C26 | H15 | H16 | 120.5° | 120.0° |
| C25 | N24 | S21 | C6 | 100.9° | 90.0° |
| C25 | N24 | C28 | S21 | 171.4° | 180.0° |
| C25 | N24 | S21 | O22 | 12.3° | 156.5° |
| C25 | N24 | S21 | O23 | 148.2° | 23.5° |
| N24 | C25 | H13 | H14 | 117.9° | 120.0° |
| N24 | C25 | C26 | H15 | 52.6° | 60.0° |
| N24 | C25 | C26 | H16 | 67.7° | 60.0° |
| C25 | N24 | C28 | H17 | 180.0° | 90.0° |
| C25 | N24 | C28 | H18 | 60.0° | 30.0° |
| C25 | N24 | C28 | H19 | 60.0° | 150.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H11 | 179.1° | 180.0° |
| C2 | C1 | C6 | O7 | 174.9° | 179.8° |
| C2 | C1 | C6 | S21 | 178.0° | 180.0° |
| C2 | C1 | O7 | H8 | 164.3° | 89.9° |
| C18 | C17 | C16 | H2 | 179.6° | 180.0° |
| C17 | C18 | C19 | H3 | 178.0° | 179.9° |
| C1 | C6 | S21 | N24 | 80.8° | 65.5° |
| C1 | C6 | S21 | O22 | 165.5° | 48.0° |
| C1 | C6 | S21 | O23 | 35.9° | 179.0° |
| C6 | C1 | C2 | H1 | 175.1° | 179.7° |
| C1 | C6 | C5 | H7 | 170.5° | 179.8° |
| C6 | C1 | O7 | H8 | 10.7° | 90.3° |
| C6 | S21 | N24 | C28 | 70.5° | 90.0° |
| C6 | S21 | N24 | O22 | 113.1° | 113.5° |
| C6 | S21 | N24 | O23 | 110.9° | 113.6° |
| C6 | S21 | O22 | O23 | 119.6° | 123.0° |
| S21 | C6 | C1 | O7 | 7.1° | 0.2° |
| S21 | C6 | C5 | H7 | 0.5° | 0.2° |
| C28 | N24 | S21 | O22 | 176.4° | 23.5° |
| C28 | N24 | S21 | O23 | 40.4° | 156.5° |
| C28 | N24 | C25 | H13 | 177.3° | 155.0° |
| C28 | N24 | C25 | H14 | 58.6° | 35.0° |
| N24 | C28 | H17 | H18 | 120.0° | 120.0° |
| N24 | C28 | H17 | H19 | 120.0° | 120.0° |
| N24 | C28 | H18 | H19 | 120.0° | 120.0° |
| N24 | S21 | O22 | O23 | 131.3° | 122.9° |
| S21 | N24 | C25 | H13 | 5.9° | 25.0° |
| S21 | N24 | C25 | H14 | 112.7° | 145.0° |
| S21 | N24 | C28 | H17 | 8.6° | 90.0° |
| S21 | N24 | C28 | H18 | 111.4° | 150.0° |
| S21 | N24 | C28 | H19 | 128.6° | 30.0° |
| O7 | C1 | C2 | H1 | 0.1° | 0.1° |
| H2 | C16 | C17 | H11 | 0.4° | 0.1° |
| H3 | C19 | C18 | H12 | 2.0° | 0.0° |
| H4 | C27 | H5 | H6 | 120.0° | 120.0° |
| H4 | C27 | C26 | H15 | 60.1° | 60.0° |
| H4 | C27 | C26 | H16 | 60.2° | 60.0° |
| H5 | C27 | C26 | H15 | 59.8° | 60.0° |
| H5 | C27 | C26 | H16 | 179.9° | 180.0° |
| H6 | C27 | C26 | H15 | 179.8° | 180.0° |
| H6 | C27 | C26 | H16 | 59.9° | 60.0° |
| H11 | C17 | C18 | H12 | 0.9° | 0.1° |
| H13 | C25 | C26 | H15 | 173.3° | 60.0° |
| H13 | C25 | C26 | H16 | 53.0° | 180.0° |
| H14 | C25 | C26 | H15 | 68.1° | 180.0° |
| H14 | C25 | C26 | H16 | 171.6° | 60.0° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
