FE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C3 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O7 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | C6 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.54Å | |
| C4 | O10 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C6 | O9 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O7 | H9 | sing | 0.97Å | 0.95Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| O9 | H11 | sing | 0.97Å | 0.95Å | |
| O10 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C3 | C2 | 108.7° | 110.0° |
| O8 | C3 | C4 | 112.1° | 110.0° |
| O8 | C3 | H4 | 110.9° | 110.1° |
| C3 | O8 | H10 | 109.5° | 114.0° |
| C2 | C1 | O7 | 116.4° | 109.5° |
| C1 | C2 | C3 | 116.6° | 110.0° |
| C1 | C2 | C6 | 115.8° | 110.0° |
| C2 | C1 | H1 | 107.7° | 109.5° |
| C2 | C1 | H2 | 107.7° | 109.5° |
| C1 | C2 | H3 | 106.8° | 110.0° |
| O7 | C1 | H1 | 107.7° | 109.4° |
| O7 | C1 | H2 | 107.7° | 109.5° |
| C1 | O7 | H9 | 109.5° | 114.0° |
| C3 | C2 | C6 | 102.9° | 106.7° |
| C2 | C3 | C4 | 106.4° | 106.5° |
| C3 | C2 | H3 | 107.2° | 110.1° |
| C2 | C3 | H4 | 109.4° | 110.0° |
| C2 | C6 | C5 | 108.7° | 104.1° |
| C2 | C6 | O9 | 109.6° | 110.5° |
| C6 | C2 | H3 | 107.0° | 110.1° |
| C2 | C6 | H8 | 109.2° | 110.5° |
| C3 | C4 | C5 | 108.8° | 104.2° |
| C3 | C4 | O10 | 110.9° | 110.5° |
| C4 | C3 | H4 | 109.2° | 110.0° |
| C3 | C4 | H7 | 108.1° | 110.4° |
| C5 | C4 | O10 | 112.0° | 110.5° |
| C4 | C5 | C6 | 103.2° | 102.8° |
| C4 | C5 | H5 | 111.0° | 110.8° |
| C4 | C5 | H6 | 111.0° | 110.7° |
| C5 | C4 | H7 | 107.8° | 110.5° |
| O10 | C4 | H7 | 109.1° | 110.5° |
| C4 | O10 | H12 | 109.5° | 114.0° |
| C5 | C6 | O9 | 109.1° | 110.5° |
| C6 | C5 | H5 | 111.0° | 110.7° |
| C6 | C5 | H6 | 111.0° | 110.9° |
| C5 | C6 | H8 | 109.2° | 110.5° |
| O9 | C6 | H8 | 111.0° | 110.6° |
| C6 | O9 | H11 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C3 | C2 | C1 | 82.4° | 121.4° |
| O8 | C3 | C2 | C4 | 120.9° | 119.3° |
| O8 | C3 | C2 | H4 | 121.2° | 121.5° |
| O8 | C3 | C2 | C6 | 149.7° | 119.3° |
| O8 | C3 | C4 | H4 | 123.3° | 121.5° |
| O8 | C3 | C4 | C5 | 135.0° | 95.7° |
| O8 | C3 | C4 | O10 | 101.4° | 145.6° |
| O8 | C3 | C2 | H3 | 37.1° | 0.1° |
| O8 | C3 | C4 | H7 | 18.2° | 23.0° |
| C2 | C1 | O7 | H1 | 121.0° | 120.0° |
| C2 | C1 | O7 | H2 | 121.0° | 120.0° |
| C1 | C2 | C3 | C6 | 127.9° | 119.3° |
| C1 | C2 | C3 | H3 | 119.5° | 121.3° |
| C1 | C2 | C6 | H3 | 118.9° | 121.4° |
| C1 | C2 | C3 | C4 | 156.6° | 119.3° |
| C1 | C2 | C6 | C5 | 160.2° | 142.9° |
| C1 | C2 | C6 | O9 | 41.1° | 24.2° |
| C2 | C1 | H1 | H2 | 116.9° | 120.0° |
| C1 | C2 | C3 | H4 | 38.8° | 0.0° |
| C1 | C2 | C6 | H8 | 80.7° | 98.4° |
| C2 | C1 | O7 | H9 | 180.0° | 180.0° |
| O7 | C1 | C2 | C3 | 49.3° | 175.0° |
| O7 | C1 | C2 | C6 | 72.1° | 67.8° |
| O7 | C1 | H1 | H2 | 116.8° | 120.0° |
| O7 | C1 | C2 | H3 | 168.9° | 53.6° |
| C3 | C2 | C6 | H3 | 112.7° | 119.4° |
| C2 | C3 | C4 | H4 | 118.0° | 119.3° |
| C2 | C3 | C4 | C5 | 16.3° | 23.6° |
| C2 | C3 | C4 | O10 | 139.9° | 95.1° |
| C3 | C2 | C6 | C5 | 31.9° | 23.6° |
| C3 | C2 | C6 | O9 | 87.2° | 95.0° |
| C3 | C2 | C1 | H1 | 71.8° | 65.0° |
| C3 | C2 | C1 | H2 | 170.3° | 55.0° |
| C2 | C3 | C4 | H7 | 100.5° | 142.3° |
| C3 | C2 | C6 | H8 | 151.0° | 142.3° |
| C2 | C3 | O8 | H10 | 180.0° | 180.0° |
| C6 | C2 | C3 | C4 | 28.7° | 0.0° |
| C2 | C6 | C5 | C4 | 21.8° | 38.0° |
| C2 | C6 | C5 | O9 | 119.4° | 118.7° |
| C2 | C6 | C5 | H8 | 119.1° | 118.7° |
| C2 | C6 | O9 | H8 | 120.7° | 122.6° |
| C6 | C2 | C1 | H1 | 166.9° | 52.2° |
| C6 | C2 | C1 | H2 | 49.0° | 172.2° |
| C6 | C2 | C3 | H4 | 89.2° | 119.2° |
| C2 | C6 | C5 | H5 | 97.2° | 80.4° |
| C2 | C6 | C5 | H6 | 140.8° | 156.4° |
| C2 | C6 | O9 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | O10 | 122.9° | 118.7° |
| C3 | C4 | C5 | H7 | 117.0° | 118.7° |
| C3 | C4 | O10 | H7 | 118.9° | 122.6° |
| C3 | C4 | C5 | C6 | 3.2° | 38.0° |
| C4 | C3 | C2 | H3 | 83.9° | 119.4° |
| C3 | C4 | C5 | H5 | 115.8° | 80.4° |
| C3 | C4 | C5 | H6 | 122.2° | 156.5° |
| C4 | C3 | O8 | H10 | 62.6° | 62.9° |
| C3 | C4 | O10 | H12 | 180.0° | 180.0° |
| C5 | C4 | O10 | H7 | 119.3° | 122.6° |
| C4 | C5 | C6 | H5 | 119.0° | 118.3° |
| C4 | C5 | C6 | H6 | 119.0° | 118.4° |
| C4 | C5 | C6 | O9 | 97.7° | 80.7° |
| C5 | C4 | C3 | H4 | 101.7° | 142.9° |
| C4 | C5 | H5 | H6 | 122.9° | 123.2° |
| C4 | C5 | C6 | H8 | 140.9° | 156.6° |
| C5 | C4 | O10 | H12 | 58.2° | 65.2° |
| O10 | C4 | C5 | C6 | 119.7° | 80.7° |
| O10 | C4 | C3 | H4 | 21.9° | 24.2° |
| O10 | C4 | C5 | H5 | 121.3° | 161.0° |
| O10 | C4 | C5 | H6 | 0.7° | 37.8° |
| C5 | C6 | O9 | H8 | 120.4° | 122.6° |
| C5 | C6 | C2 | H3 | 80.9° | 95.7° |
| C6 | C5 | H5 | H6 | 122.9° | 123.4° |
| C6 | C5 | C4 | H7 | 120.2° | 156.6° |
| C5 | C6 | O9 | H11 | 61.1° | 65.3° |
| O9 | C6 | C2 | H3 | 160.0° | 145.6° |
| O9 | C6 | C5 | H5 | 143.3° | 161.0° |
| O9 | C6 | C5 | H6 | 21.4° | 37.7° |
| H1 | C1 | C2 | H3 | 47.9° | 173.6° |
| H1 | C1 | O7 | H9 | 59.0° | 60.0° |
| H2 | C1 | C2 | H3 | 70.0° | 66.4° |
| H2 | C1 | O7 | H9 | 59.0° | 60.0° |
| H3 | C2 | C3 | H4 | 158.2° | 121.4° |
| H3 | C2 | C6 | H8 | 38.2° | 22.9° |
| H4 | C3 | C4 | H7 | 141.5° | 98.4° |
| H4 | C3 | O8 | H10 | 59.8° | 58.6° |
| H5 | C5 | C4 | H7 | 1.2° | 38.3° |
| H5 | C5 | C6 | H8 | 21.9° | 38.3° |
| H6 | C5 | C4 | H7 | 120.8° | 84.9° |
| H6 | C5 | C6 | H8 | 100.1° | 85.0° |
| H7 | C4 | O10 | H12 | 61.1° | 57.4° |
| H8 | C6 | O9 | H11 | 59.3° | 57.4° |
