0PF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | N13 | sing | 1.46Å | 1.47Å | |
| C12 | N13 | sing | 1.40Å | 1.40Å | |
| C12 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| N13 | S15 | sing | 1.67Å | 1.65Å | |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.48Å | |
| O17 | S15 | doub | 1.42Å | 1.42Å | |
| S15 | O16 | doub | 1.42Å | 1.42Å | |
| S15 | C18 | sing | 1.77Å | 1.76Å | |
| C24 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N21 | sing | 1.35Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | N21 | sing | 1.46Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N21 | N20 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | N20 | doub | 1.32Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.8° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C1 | C2 | H5 | 109.2° | 109.5° |
| C5 | C4 | C3 | 120.1° | 120.1° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C5 | C4 | H6 | 119.9° | 120.0° |
| C4 | C5 | H7 | 120.0° | 120.0° |
| C4 | C3 | C2 | 118.8° | 119.9° |
| C4 | C3 | C8 | 120.0° | 120.3° |
| C3 | C4 | H6 | 120.0° | 120.0° |
| C2 | C3 | C8 | 121.1° | 119.9° |
| C3 | C2 | H4 | 109.1° | 109.5° |
| C3 | C2 | H5 | 109.1° | 109.5° |
| C5 | C6 | C9 | 119.1° | 120.1° |
| C5 | C6 | C7 | 120.1° | 119.7° |
| C6 | C5 | H7 | 120.0° | 120.1° |
| C3 | C8 | C7 | 120.4° | 120.1° |
| C3 | C8 | H9 | 119.8° | 119.9° |
| C11 | C10 | C9 | 119.9° | 120.2° |
| C10 | C11 | C12 | 121.1° | 120.7° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | H11 | 119.4° | 119.6° |
| C10 | C9 | C6 | 120.9° | 120.1° |
| C10 | C9 | C26 | 119.8° | 119.8° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C11 | C12 | N13 | 118.1° | 117.7° |
| C11 | C12 | C25 | 118.9° | 119.3° |
| C12 | C11 | H11 | 119.4° | 119.7° |
| C9 | C6 | C7 | 120.8° | 120.1° |
| C6 | C9 | C26 | 119.3° | 120.1° |
| C6 | C7 | C8 | 119.3° | 119.9° |
| C6 | C7 | H8 | 120.3° | 120.0° |
| C8 | C7 | H8 | 120.3° | 120.1° |
| C7 | C8 | H9 | 119.8° | 120.0° |
| C9 | C26 | C25 | 120.7° | 120.1° |
| C9 | C26 | H21 | 119.7° | 119.9° |
| C14 | N13 | C12 | 122.7° | 120.3° |
| C14 | N13 | S15 | 117.8° | 120.3° |
| N13 | C14 | H12 | 109.5° | 109.5° |
| N13 | C14 | H13 | 109.5° | 109.4° |
| N13 | C14 | H14 | 109.4° | 109.5° |
| N13 | C12 | C25 | 123.0° | 123.0° |
| C12 | N13 | S15 | 119.5° | 119.4° |
| C12 | C25 | C26 | 119.5° | 119.9° |
| C12 | C25 | C24 | 122.0° | 121.1° |
| N13 | S15 | O17 | 106.0° | 107.0° |
| N13 | S15 | O16 | 105.6° | 107.0° |
| N13 | S15 | C18 | 104.9° | 103.4° |
| C26 | C25 | C24 | 118.4° | 119.0° |
| C25 | C26 | H21 | 119.6° | 120.0° |
| C25 | C24 | C18 | 121.0° | 122.2° |
| C25 | C24 | N21 | 132.3° | 131.0° |
| O17 | S15 | O16 | 125.1° | 123.7° |
| O17 | S15 | C18 | 106.2° | 107.1° |
| O16 | S15 | C18 | 107.4° | 107.0° |
| S15 | C18 | C24 | 120.9° | 120.2° |
| S15 | C18 | C19 | 129.5° | 131.1° |
| C18 | C24 | N21 | 106.6° | 106.8° |
| C24 | C18 | C19 | 109.6° | 108.7° |
| C24 | N21 | C22 | 128.5° | 126.1° |
| C24 | N21 | N20 | 106.4° | 107.7° |
| C18 | C19 | N20 | 107.1° | 108.1° |
| C18 | C19 | H15 | 126.4° | 125.9° |
| N21 | C22 | C23 | 111.2° | 109.5° |
| C22 | N21 | N20 | 125.0° | 126.1° |
| N21 | C22 | H16 | 109.0° | 109.5° |
| N21 | C22 | H17 | 109.0° | 109.5° |
| C23 | C22 | H16 | 109.0° | 109.4° |
| C23 | C22 | H17 | 109.0° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.5° | 109.4° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| N21 | N20 | C19 | 110.2° | 108.7° |
| N20 | C19 | H15 | 126.5° | 126.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 106.8° | 89.8° |
| C1 | C2 | C3 | H4 | 120.2° | 120.0° |
| C1 | C2 | C3 | H5 | 120.2° | 120.0° |
| C1 | C2 | C3 | C8 | 73.4° | 90.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.4° | 120.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H7 | 180.0° | 179.9° |
| C5 | C4 | C3 | C8 | 0.3° | 0.2° |
| C4 | C5 | C6 | C9 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C3 | C2 | C8 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C8 | C7 | 0.0° | 0.5° |
| C4 | C3 | C2 | H4 | 133.0° | 150.2° |
| C4 | C3 | C2 | H5 | 13.4° | 30.2° |
| C3 | C4 | C5 | H7 | 179.6° | 180.0° |
| C4 | C3 | C8 | H9 | 180.0° | 179.8° |
| C2 | C3 | C8 | C7 | 179.8° | 179.7° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 119.4° | 120.1° |
| C2 | C3 | C4 | H6 | 0.1° | 0.1° |
| C2 | C3 | C8 | H9 | 0.2° | 0.0° |
| C5 | C6 | C9 | C10 | 40.4° | 0.2° |
| C5 | C6 | C9 | C7 | 179.5° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.2° |
| C5 | C6 | C9 | C26 | 139.3° | 180.0° |
| C6 | C5 | C4 | H6 | 179.6° | 180.0° |
| C5 | C6 | C7 | H8 | 179.8° | 180.0° |
| C3 | C8 | C7 | C6 | 0.3° | 0.5° |
| C3 | C8 | C7 | H9 | 180.0° | 179.7° |
| C8 | C3 | C2 | H4 | 46.8° | 30.0° |
| C8 | C3 | C2 | H5 | 166.4° | 150.0° |
| C8 | C3 | C4 | H6 | 179.7° | 179.7° |
| C3 | C8 | C7 | H8 | 179.7° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C6 | 180.0° | 179.7° |
| C11 | C10 | C9 | C26 | 0.4° | 0.6° |
| C10 | C11 | C12 | N13 | 178.9° | 179.1° |
| C10 | C11 | C12 | C25 | 0.1° | 0.2° |
| C9 | C10 | C11 | C12 | 0.6° | 0.2° |
| C10 | C9 | C6 | C26 | 179.6° | 179.7° |
| C10 | C9 | C6 | C7 | 140.1° | 179.7° |
| C10 | C9 | C26 | C25 | 0.5° | 0.5° |
| C9 | C10 | C11 | H11 | 179.4° | 179.8° |
| C10 | C9 | C26 | H21 | 179.5° | 179.8° |
| C11 | C12 | N13 | C14 | 28.6° | 29.3° |
| C11 | C12 | N13 | C25 | 178.7° | 179.3° |
| C11 | C12 | N13 | S15 | 153.0° | 150.7° |
| C11 | C12 | C25 | C26 | 1.0° | 0.3° |
| C11 | C12 | C25 | C24 | 178.2° | 178.9° |
| C12 | C11 | C10 | H10 | 179.4° | 179.8° |
| C9 | C6 | C7 | C8 | 179.7° | 179.8° |
| C6 | C9 | C26 | C25 | 179.2° | 179.8° |
| C9 | C6 | C5 | H7 | 0.7° | 0.1° |
| C9 | C6 | C7 | H8 | 0.3° | 0.0° |
| C6 | C9 | C10 | H10 | 0.0° | 0.3° |
| C6 | C9 | C26 | H21 | 0.9° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 179.8° |
| C7 | C6 | C9 | C26 | 40.2° | 0.0° |
| C7 | C6 | C5 | H7 | 179.8° | 180.0° |
| C6 | C7 | C8 | H9 | 179.7° | 179.8° |
| C9 | C26 | C25 | C12 | 1.2° | 0.0° |
| C9 | C26 | C25 | H21 | 180.0° | 179.6° |
| C9 | C26 | C25 | C24 | 178.5° | 179.3° |
| C26 | C9 | C10 | H10 | 179.6° | 179.4° |
| C14 | N13 | C12 | S15 | 178.4° | 180.0° |
| C14 | N13 | C12 | C25 | 150.1° | 150.0° |
| C14 | N13 | S15 | O17 | 102.3° | 103.8° |
| C14 | N13 | S15 | O16 | 32.2° | 30.7° |
| C14 | N13 | S15 | C18 | 145.5° | 143.4° |
| N13 | C14 | H12 | H13 | 120.0° | 120.0° |
| N13 | C14 | H12 | H14 | 120.0° | 120.0° |
| N13 | C14 | H13 | H14 | 120.0° | 120.0° |
| N13 | C12 | C25 | C26 | 179.7° | 179.0° |
| N13 | C12 | C25 | C24 | 3.1° | 1.8° |
| C12 | N13 | S15 | O17 | 79.2° | 76.3° |
| C12 | N13 | S15 | O16 | 146.3° | 149.3° |
| C12 | N13 | S15 | C18 | 33.0° | 36.6° |
| N13 | C12 | C11 | H11 | 1.1° | 0.9° |
| C12 | N13 | C14 | H12 | 178.4° | 90.0° |
| C12 | N13 | C14 | H13 | 58.4° | 150.0° |
| C12 | N13 | C14 | H14 | 61.6° | 30.0° |
| C25 | C12 | N13 | S15 | 28.3° | 30.0° |
| C12 | C25 | C26 | C24 | 177.3° | 179.3° |
| C12 | C25 | C24 | C18 | 12.3° | 13.9° |
| C12 | C25 | C24 | N21 | 171.2° | 166.3° |
| C25 | C12 | C11 | H11 | 179.9° | 179.8° |
| C12 | C25 | C26 | H21 | 178.8° | 179.7° |
| N13 | S15 | O17 | O16 | 122.9° | 124.8° |
| N13 | S15 | O17 | C18 | 111.2° | 110.3° |
| N13 | S15 | O16 | C18 | 111.5° | 110.2° |
| N13 | S15 | C18 | C24 | 18.8° | 22.1° |
| N13 | S15 | C18 | C19 | 161.3° | 157.9° |
| S15 | N13 | C14 | H12 | 0.0° | 90.0° |
| S15 | N13 | C14 | H13 | 120.0° | 30.0° |
| S15 | N13 | C14 | H14 | 120.0° | 150.0° |
| C26 | C25 | C24 | C18 | 165.0° | 165.4° |
| C26 | C25 | C24 | N21 | 11.6° | 14.4° |
| C25 | C24 | C18 | S15 | 1.5° | 0.3° |
| C25 | C24 | C18 | N21 | 177.3° | 179.8° |
| C25 | C24 | C18 | C19 | 178.3° | 179.7° |
| C25 | C24 | N21 | C22 | 3.8° | 0.3° |
| C25 | C24 | N21 | N20 | 178.0° | 179.7° |
| C24 | C25 | C26 | H21 | 1.5° | 1.1° |
| O17 | S15 | O16 | C18 | 125.4° | 125.0° |
| O17 | S15 | C18 | C24 | 93.2° | 90.6° |
| O17 | S15 | C18 | C19 | 86.7° | 89.4° |
| O16 | S15 | C18 | C24 | 130.8° | 134.8° |
| O16 | S15 | C18 | C19 | 49.3° | 45.1° |
| S15 | C18 | C24 | C19 | 179.9° | 180.0° |
| S15 | C18 | C24 | N21 | 178.9° | 179.9° |
| S15 | C18 | C19 | N20 | 179.4° | 179.9° |
| S15 | C18 | C19 | H15 | 0.5° | 0.1° |
| C18 | C24 | N21 | C22 | 179.3° | 179.9° |
| C18 | C24 | N21 | N20 | 1.1° | 0.1° |
| C24 | C18 | C19 | N20 | 0.4° | 0.0° |
| C24 | C18 | C19 | H15 | 179.6° | 179.9° |
| N21 | C24 | C18 | C19 | 1.0° | 0.1° |
| C24 | N21 | C22 | N20 | 177.9° | 180.0° |
| C24 | N21 | C22 | C23 | 96.1° | 89.6° |
| C24 | N21 | N20 | C19 | 0.9° | 0.1° |
| C24 | N21 | C22 | H16 | 24.1° | 30.3° |
| C24 | N21 | C22 | H17 | 143.6° | 150.4° |
| C18 | C19 | N20 | N21 | 0.3° | 0.0° |
| C18 | C19 | N20 | H15 | 180.0° | 179.9° |
| N21 | C22 | C23 | H16 | 120.2° | 120.0° |
| N21 | C22 | C23 | H17 | 120.3° | 120.1° |
| C22 | N21 | N20 | C19 | 179.2° | 179.9° |
| N21 | C22 | H16 | H17 | 119.2° | 120.0° |
| N21 | C22 | C23 | H18 | 180.0° | 180.0° |
| N21 | C22 | C23 | H19 | 60.0° | 60.0° |
| N21 | C22 | C23 | H20 | 60.0° | 60.0° |
| C23 | C22 | N21 | N20 | 86.0° | 90.3° |
| C23 | C22 | H16 | H17 | 119.2° | 120.0° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 120.0° |
| N21 | N20 | C19 | H15 | 179.7° | 180.0° |
| N20 | N21 | C22 | H16 | 153.8° | 149.7° |
| N20 | N21 | C22 | H17 | 34.3° | 29.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.8° | 60.0° |
| H1 | C1 | C2 | H5 | 59.8° | 60.0° |
| H2 | C1 | C2 | H4 | 60.2° | 60.0° |
| H2 | C1 | C2 | H5 | 179.8° | 180.0° |
| H3 | C1 | C2 | H4 | 179.8° | 180.0° |
| H3 | C1 | C2 | H5 | 60.2° | 60.0° |
| H6 | C4 | C5 | H7 | 0.4° | 0.1° |
| H8 | C7 | C8 | H9 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.6° | 0.2° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
| H16 | C22 | C23 | H18 | 59.8° | 60.0° |
| H16 | C22 | C23 | H19 | 179.8° | 180.0° |
| H16 | C22 | C23 | H20 | 60.2° | 60.0° |
| H17 | C22 | C23 | H18 | 59.7° | 60.0° |
| H17 | C22 | C23 | H19 | 60.3° | 60.0° |
| H17 | C22 | C23 | H20 | 179.8° | 180.0° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
