FE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N20 | C7 | sing | 1.38Å | 1.34Å | |
| C7 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | O9 | sing | 1.34Å | 1.37Å | Aromatic |
| N6 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| O9 | C13 | sing | 1.35Å | 1.38Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C4 | sing | 1.48Å | 1.49Å | |
| C23 | C17 | sing | 1.53Å | 1.52Å | |
| C4 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| N21 | C12 | sing | 1.38Å | 1.34Å | |
| C5 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C17 | sing | 1.47Å | 1.48Å | |
| N3 | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | N14 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | N11 | doub | 1.33Å | 1.34Å | Aromatic |
| N14 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| N11 | C16 | sing | 1.31Å | 1.34Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| N20 | H6 | sing | 0.97Å | 1.00Å | |
| N20 | H7 | sing | 0.97Å | 1.00Å | |
| N21 | H8 | sing | 0.97Å | 1.00Å | |
| N21 | H9 | sing | 0.97Å | 1.00Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C7 | N6 | 128.0° | 125.0° |
| N20 | C7 | O9 | 116.8° | 124.9° |
| C7 | N20 | H6 | 109.5° | 120.0° |
| C7 | N20 | H7 | 109.5° | 120.0° |
| N6 | C7 | O9 | 115.2° | 110.1° |
| C7 | N6 | C8 | 103.7° | 108.7° |
| C7 | O9 | C13 | 103.8° | 108.2° |
| N6 | C8 | C13 | 109.3° | 106.6° |
| N6 | C8 | C15 | 131.1° | 133.6° |
| O9 | C13 | C8 | 107.9° | 106.4° |
| O9 | C13 | C19 | 128.7° | 133.6° |
| C13 | C8 | C15 | 119.6° | 119.8° |
| C8 | C13 | C19 | 123.3° | 120.1° |
| C8 | C15 | C10 | 118.4° | 119.6° |
| C8 | C15 | H1 | 120.8° | 120.2° |
| C13 | C19 | C18 | 117.1° | 120.1° |
| C13 | C19 | H5 | 121.5° | 120.0° |
| C15 | C10 | C18 | 120.5° | 120.1° |
| C15 | C10 | C4 | 119.1° | 120.0° |
| C10 | C15 | H1 | 120.8° | 120.1° |
| C19 | C18 | C10 | 121.1° | 120.3° |
| C19 | C18 | H4 | 119.5° | 119.8° |
| C18 | C19 | H5 | 121.4° | 119.9° |
| C18 | C10 | C4 | 120.4° | 119.9° |
| C10 | C18 | H4 | 119.5° | 119.9° |
| C10 | C4 | N2 | 117.9° | 126.3° |
| C10 | C4 | C5 | 131.6° | 126.3° |
| C23 | C17 | N3 | 110.0° | 109.5° |
| C23 | C17 | C22 | 110.5° | 109.5° |
| C23 | C17 | H3 | 108.7° | 109.5° |
| C17 | C23 | H13 | 109.5° | 109.4° |
| C17 | C23 | H14 | 109.4° | 109.5° |
| C17 | C23 | H15 | 109.5° | 109.5° |
| N2 | C4 | C5 | 110.5° | 107.4° |
| C4 | N2 | N3 | 106.9° | 109.8° |
| C4 | C5 | C12 | 139.6° | 135.1° |
| C4 | C5 | C1 | 104.5° | 106.4° |
| N2 | N3 | C17 | 116.9° | 125.3° |
| N2 | N3 | C1 | 111.2° | 109.5° |
| N21 | C12 | C5 | 123.2° | 120.8° |
| N21 | C12 | N14 | 118.1° | 120.9° |
| C12 | N21 | H8 | 109.5° | 120.0° |
| C12 | N21 | H9 | 109.5° | 120.0° |
| C12 | C5 | C1 | 115.8° | 118.5° |
| C5 | C12 | N14 | 118.7° | 118.4° |
| C5 | C1 | N3 | 106.8° | 106.9° |
| C5 | C1 | N11 | 126.3° | 118.6° |
| C17 | N3 | C1 | 131.9° | 125.2° |
| N3 | C17 | C22 | 109.9° | 109.5° |
| N3 | C17 | H3 | 109.2° | 109.5° |
| N3 | C1 | N11 | 126.9° | 134.6° |
| C12 | N14 | C16 | 118.7° | 121.1° |
| C22 | C17 | H3 | 108.6° | 109.4° |
| C17 | C22 | H10 | 109.5° | 109.5° |
| C17 | C22 | H11 | 109.5° | 109.4° |
| C17 | C22 | H12 | 109.5° | 109.5° |
| C1 | N11 | C16 | 111.9° | 120.8° |
| N14 | C16 | N11 | 128.7° | 122.6° |
| N14 | C16 | H2 | 115.7° | 118.6° |
| N11 | C16 | H2 | 115.7° | 118.7° |
| H6 | N20 | H7 | 109.4° | 120.0° |
| H8 | N21 | H9 | 109.5° | 120.0° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H12 | 109.4° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C7 | N6 | O9 | 180.0° | 179.8° |
| N20 | C7 | N6 | C8 | 180.0° | 179.7° |
| N20 | C7 | O9 | C13 | 180.0° | 179.7° |
| C7 | N20 | H6 | H7 | 120.0° | 180.0° |
| N6 | C7 | O9 | C13 | 0.0° | 0.0° |
| C7 | N6 | C8 | C13 | 0.0° | 0.0° |
| C7 | N6 | C8 | C15 | 180.0° | 180.0° |
| N6 | C7 | N20 | H6 | 0.0° | 0.0° |
| N6 | C7 | N20 | H7 | 120.0° | 179.9° |
| O9 | C7 | N6 | C8 | 0.0° | 0.0° |
| C7 | O9 | C13 | C8 | 0.1° | 0.0° |
| C7 | O9 | C13 | C19 | 180.0° | 179.9° |
| O9 | C7 | N20 | H6 | 180.0° | 179.7° |
| O9 | C7 | N20 | H7 | 60.0° | 0.3° |
| N6 | C8 | C13 | O9 | 0.0° | 0.0° |
| N6 | C8 | C13 | C15 | 180.0° | 180.0° |
| N6 | C8 | C13 | C19 | 180.0° | 179.9° |
| N6 | C8 | C15 | C10 | 180.0° | 179.9° |
| N6 | C8 | C15 | H1 | 0.0° | 0.1° |
| O9 | C13 | C8 | C19 | 180.0° | 180.0° |
| O9 | C13 | C8 | C15 | 180.0° | 180.0° |
| O9 | C13 | C19 | C18 | 180.0° | 180.0° |
| O9 | C13 | C19 | H5 | 0.0° | 0.1° |
| C13 | C8 | C15 | C10 | 0.0° | 0.1° |
| C8 | C13 | C19 | C18 | 0.0° | 0.0° |
| C13 | C8 | C15 | H1 | 180.0° | 179.9° |
| C8 | C13 | C19 | H5 | 180.0° | 180.0° |
| C15 | C8 | C13 | C19 | 0.0° | 0.1° |
| C8 | C15 | C10 | H1 | 180.0° | 179.9° |
| C8 | C15 | C10 | C18 | 0.0° | 0.1° |
| C8 | C15 | C10 | C4 | 180.0° | 179.9° |
| C13 | C19 | C18 | H5 | 180.0° | 179.9° |
| C13 | C19 | C18 | C10 | 0.0° | 0.0° |
| C13 | C19 | C18 | H4 | 180.0° | 180.0° |
| C15 | C10 | C18 | C19 | 0.0° | 0.0° |
| C15 | C10 | C18 | C4 | 180.0° | 180.0° |
| C15 | C10 | C4 | N2 | 124.8° | 135.6° |
| C15 | C10 | C4 | C5 | 55.3° | 44.7° |
| C15 | C10 | C18 | H4 | 180.0° | 180.0° |
| C19 | C18 | C10 | H4 | 180.0° | 180.0° |
| C19 | C18 | C10 | C4 | 180.0° | 180.0° |
| C18 | C10 | C4 | N2 | 55.2° | 44.4° |
| C18 | C10 | C4 | C5 | 124.7° | 135.3° |
| C18 | C10 | C15 | H1 | 180.0° | 179.9° |
| C10 | C18 | C19 | H5 | 180.0° | 180.0° |
| C10 | C4 | N2 | C5 | 179.9° | 179.7° |
| C10 | C4 | N2 | N3 | 179.9° | 179.8° |
| C10 | C4 | C5 | C12 | 0.1° | 0.2° |
| C10 | C4 | C5 | C1 | 179.9° | 179.8° |
| C4 | C10 | C15 | H1 | 0.0° | 0.1° |
| C4 | C10 | C18 | H4 | 0.0° | 0.0° |
| C23 | C17 | N3 | N2 | 38.5° | 60.0° |
| C23 | C17 | N3 | C22 | 121.8° | 120.0° |
| C23 | C17 | N3 | H3 | 119.1° | 120.1° |
| C23 | C17 | N3 | C1 | 141.5° | 120.0° |
| C23 | C17 | C22 | H3 | 119.1° | 120.0° |
| C23 | C17 | C22 | H10 | 180.0° | 180.0° |
| C23 | C17 | C22 | H11 | 60.0° | 60.0° |
| C23 | C17 | C22 | H12 | 60.0° | 60.0° |
| C17 | C23 | H13 | H14 | 120.0° | 120.0° |
| C17 | C23 | H13 | H15 | 120.0° | 120.0° |
| C17 | C23 | H14 | H15 | 120.0° | 120.0° |
| N2 | C4 | C5 | C12 | 180.0° | 179.9° |
| N2 | C4 | C5 | C1 | 0.0° | 0.0° |
| C4 | N2 | N3 | C17 | 180.0° | 180.0° |
| C4 | N2 | N3 | C1 | 0.0° | 0.1° |
| C5 | C4 | N2 | N3 | 0.0° | 0.1° |
| C4 | C5 | C12 | N21 | 0.0° | 0.1° |
| C4 | C5 | C12 | C1 | 180.0° | 180.0° |
| C4 | C5 | C1 | N3 | 0.0° | 0.0° |
| C4 | C5 | C12 | N14 | 180.0° | 180.0° |
| C4 | C5 | C1 | N11 | 179.9° | 179.9° |
| N2 | N3 | C1 | C5 | 0.0° | 0.0° |
| N2 | N3 | C17 | C1 | 180.0° | 179.9° |
| N2 | N3 | C17 | C22 | 83.3° | 60.0° |
| N2 | N3 | C1 | N11 | 179.9° | 179.9° |
| N2 | N3 | C17 | H3 | 157.6° | 179.9° |
| N21 | C12 | C5 | N14 | 180.0° | 179.9° |
| N21 | C12 | C5 | C1 | 180.0° | 179.9° |
| N21 | C12 | N14 | C16 | 180.0° | 180.0° |
| C12 | N21 | H8 | H9 | 120.0° | 179.9° |
| C12 | C5 | C1 | N3 | 180.0° | 180.0° |
| C12 | C5 | C1 | N11 | 0.1° | 0.0° |
| C5 | C12 | N14 | C16 | 0.0° | 0.1° |
| C5 | C12 | N21 | H8 | 180.0° | 16.6° |
| C5 | C12 | N21 | H9 | 60.1° | 163.5° |
| C5 | C1 | N3 | C17 | 180.0° | 179.9° |
| C5 | C1 | N3 | N11 | 180.0° | 179.9° |
| C1 | C5 | C12 | N14 | 0.0° | 0.0° |
| C5 | C1 | N11 | C16 | 0.1° | 0.1° |
| N3 | C17 | C22 | H3 | 119.4° | 120.0° |
| C17 | N3 | C1 | N11 | 0.0° | 0.0° |
| N3 | C17 | C22 | H10 | 58.5° | 60.0° |
| N3 | C17 | C22 | H11 | 178.5° | 60.0° |
| N3 | C17 | C22 | H12 | 61.5° | 180.0° |
| N3 | C17 | C23 | H13 | 180.0° | 60.0° |
| N3 | C17 | C23 | H14 | 60.0° | 180.0° |
| N3 | C17 | C23 | H15 | 60.0° | 60.0° |
| C1 | N3 | C17 | C22 | 96.7° | 120.0° |
| N3 | C1 | N11 | C16 | 180.0° | 180.0° |
| C1 | N3 | C17 | H3 | 22.3° | 0.0° |
| C12 | N14 | C16 | N11 | 0.0° | 0.1° |
| C12 | N14 | C16 | H2 | 180.0° | 180.0° |
| N14 | C12 | N21 | H8 | 0.0° | 163.6° |
| N14 | C12 | N21 | H9 | 120.0° | 16.3° |
| C17 | C22 | H10 | H11 | 120.0° | 119.9° |
| C17 | C22 | H10 | H12 | 120.0° | 120.0° |
| C17 | C22 | H11 | H12 | 120.0° | 120.0° |
| C22 | C17 | C23 | H13 | 58.5° | 180.0° |
| C22 | C17 | C23 | H14 | 178.5° | 60.0° |
| C22 | C17 | C23 | H15 | 61.5° | 60.0° |
| C1 | N11 | C16 | N14 | 0.0° | 0.0° |
| C1 | N11 | C16 | H2 | 180.0° | 179.9° |
| N14 | C16 | N11 | H2 | 180.0° | 180.0° |
| H3 | C17 | C22 | H10 | 60.9° | 60.0° |
| H3 | C17 | C22 | H11 | 59.1° | 180.0° |
| H3 | C17 | C22 | H12 | 179.1° | 60.0° |
| H3 | C17 | C23 | H13 | 60.5° | 60.0° |
| H3 | C17 | C23 | H14 | 59.5° | 60.0° |
| H3 | C17 | C23 | H15 | 179.5° | 179.9° |
| H4 | C18 | C19 | H5 | 0.0° | 0.0° |
| H10 | C22 | H11 | H12 | 119.9° | 120.1° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
