7FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C6 | sing | 1.53Å | 1.55Å | |
| O5 | C4 | sing | 1.43Å | 1.39Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C2 | O3 | sing | 1.34Å | 1.23Å | |
| C2 | C4 | sing | 1.51Å | 1.57Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.47Å | |
| C6 | O7 | sing | 1.43Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O5 | H7 | sing | 0.97Å | 0.95Å | |
| O7 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 111.0° | 109.5° |
| C11 | C10 | C12 | 105.0° | 109.5° |
| C11 | C10 | H5 | 110.1° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| O1 | C2 | O3 | 126.2° | 120.0° |
| O1 | C2 | C4 | 115.2° | 120.0° |
| C9 | C8 | C6 | 97.0° | 109.5° |
| C8 | C9 | C10 | 121.2° | 109.5° |
| C9 | C8 | H3 | 112.5° | 109.5° |
| C9 | C8 | H4 | 112.5° | 109.5° |
| C8 | C9 | H9 | 106.4° | 109.5° |
| C8 | C9 | H10 | 106.4° | 109.5° |
| C8 | C6 | C4 | 112.5° | 109.5° |
| C8 | C6 | O7 | 110.3° | 109.5° |
| C8 | C6 | H2 | 108.3° | 109.5° |
| C6 | C8 | H3 | 112.5° | 109.5° |
| C6 | C8 | H4 | 112.5° | 109.5° |
| O5 | C4 | C2 | 112.1° | 109.5° |
| O5 | C4 | C6 | 106.6° | 109.5° |
| O5 | C4 | H1 | 106.6° | 109.5° |
| C4 | O5 | H7 | 109.5° | 114.0° |
| C9 | C10 | C12 | 110.8° | 109.5° |
| C9 | C10 | H5 | 110.1° | 109.4° |
| C10 | C9 | H9 | 106.5° | 109.5° |
| C10 | C9 | H10 | 106.5° | 109.5° |
| O3 | C2 | C4 | 118.5° | 120.0° |
| C2 | O3 | H6 | 109.5° | 117.0° |
| C2 | C4 | C6 | 120.1° | 109.4° |
| C2 | C4 | H1 | 104.7° | 109.5° |
| C12 | C10 | H5 | 109.7° | 109.5° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| C10 | C12 | H15 | 109.4° | 109.6° |
| C10 | C12 | H16 | 109.5° | 109.5° |
| C4 | C6 | O7 | 106.7° | 109.5° |
| C6 | C4 | H1 | 105.8° | 109.5° |
| C4 | C6 | H2 | 109.5° | 109.5° |
| O7 | C6 | H2 | 109.4° | 109.5° |
| C6 | O7 | H8 | 109.5° | 114.0° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | C8 | 89.6° | 175.0° |
| C11 | C10 | C9 | C12 | 116.3° | 120.0° |
| C11 | C10 | C9 | H5 | 122.2° | 120.0° |
| C11 | C10 | C12 | H5 | 118.3° | 120.0° |
| C11 | C10 | C9 | H9 | 148.8° | 54.9° |
| C11 | C10 | C9 | H10 | 32.0° | 65.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.1° |
| C10 | C11 | H11 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | C10 | C12 | H14 | 180.0° | 60.0° |
| C11 | C10 | C12 | H15 | 60.0° | 180.0° |
| C11 | C10 | C12 | H16 | 60.0° | 60.0° |
| O1 | C2 | C4 | O5 | 22.6° | 5.0° |
| O1 | C2 | O3 | C4 | 175.1° | 179.9° |
| O1 | C2 | C4 | C6 | 148.9° | 115.0° |
| O1 | C2 | C4 | H1 | 92.6° | 125.0° |
| O1 | C2 | O3 | H6 | 0.0° | 0.1° |
| C9 | C8 | C6 | H3 | 117.9° | 120.0° |
| C9 | C8 | C6 | H4 | 117.9° | 120.0° |
| C8 | C9 | C10 | H9 | 121.6° | 120.1° |
| C8 | C9 | C10 | H10 | 121.6° | 120.0° |
| C8 | C9 | C10 | C12 | 154.1° | 65.0° |
| C9 | C8 | C6 | C4 | 114.5° | 175.0° |
| C9 | C8 | C6 | O7 | 126.5° | 65.0° |
| C9 | C8 | C6 | H2 | 6.7° | 55.0° |
| C9 | C8 | H3 | H4 | 125.8° | 120.0° |
| C8 | C9 | C10 | H5 | 32.6° | 55.0° |
| C8 | C9 | H9 | H10 | 114.7° | 120.0° |
| C8 | C6 | C4 | O5 | 65.9° | 60.0° |
| C6 | C8 | C9 | C10 | 116.3° | 180.0° |
| C8 | C6 | C4 | C2 | 62.9° | 180.0° |
| C8 | C6 | C4 | O7 | 121.1° | 120.0° |
| C8 | C6 | C4 | H2 | 120.5° | 120.0° |
| C8 | C6 | O7 | H2 | 119.1° | 120.0° |
| C8 | C6 | C4 | H1 | 179.1° | 60.0° |
| C6 | C8 | H3 | H4 | 125.8° | 120.0° |
| C8 | C6 | O7 | H8 | 180.0° | 60.0° |
| C6 | C8 | C9 | H9 | 5.4° | 60.0° |
| C6 | C8 | C9 | H10 | 122.1° | 60.0° |
| O5 | C4 | C2 | O3 | 161.8° | 175.0° |
| O5 | C4 | C2 | C6 | 126.3° | 120.0° |
| O5 | C4 | C2 | H1 | 115.2° | 120.0° |
| O5 | C4 | C6 | H1 | 113.3° | 120.0° |
| O5 | C4 | C6 | O7 | 55.3° | 180.0° |
| O5 | C4 | C6 | H2 | 173.6° | 60.0° |
| C9 | C10 | C12 | H5 | 121.8° | 120.0° |
| C10 | C9 | C8 | H3 | 1.6° | 59.9° |
| C10 | C9 | C8 | H4 | 125.8° | 60.0° |
| C10 | C9 | H9 | H10 | 114.7° | 120.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H12 | 60.0° | 60.0° |
| C9 | C10 | C11 | H13 | 60.0° | 60.0° |
| C9 | C10 | C12 | H14 | 60.1° | 60.0° |
| C9 | C10 | C12 | H15 | 59.9° | 60.0° |
| C9 | C10 | C12 | H16 | 179.9° | 180.0° |
| O3 | C2 | C4 | C6 | 35.5° | 65.0° |
| O3 | C2 | C4 | H1 | 83.0° | 54.9° |
| C2 | C4 | C6 | H1 | 118.0° | 120.0° |
| C2 | C4 | C6 | O7 | 176.0° | 60.0° |
| C2 | C4 | C6 | H2 | 57.6° | 60.0° |
| C4 | C2 | O3 | H6 | 175.1° | 180.0° |
| C2 | C4 | O5 | H7 | 10.4° | 60.0° |
| C12 | C10 | C9 | H9 | 32.5° | 175.0° |
| C12 | C10 | C9 | H10 | 84.2° | 55.0° |
| C12 | C10 | C11 | H11 | 60.2° | 60.0° |
| C12 | C10 | C11 | H12 | 59.8° | 180.0° |
| C12 | C10 | C11 | H13 | 179.8° | 60.0° |
| C10 | C12 | H14 | H15 | 120.0° | 120.1° |
| C10 | C12 | H14 | H16 | 120.0° | 120.0° |
| C10 | C12 | H15 | H16 | 120.0° | 120.1° |
| C4 | C6 | O7 | H2 | 118.4° | 120.0° |
| C4 | C6 | C8 | H3 | 127.6° | 55.0° |
| C4 | C6 | C8 | H4 | 3.4° | 65.0° |
| C6 | C4 | O5 | H7 | 143.7° | 60.0° |
| C4 | C6 | O7 | H8 | 57.5° | 60.0° |
| O7 | C6 | C4 | H1 | 58.0° | 60.0° |
| O7 | C6 | C8 | H3 | 8.6° | 175.0° |
| O7 | C6 | C8 | H4 | 115.6° | 55.0° |
| H1 | C4 | C6 | H2 | 60.3° | NaN° |
| H1 | C4 | O5 | H7 | 103.6° | 180.0° |
| H2 | C6 | C8 | H3 | 111.2° | 65.0° |
| H2 | C6 | C8 | H4 | 124.6° | 175.0° |
| H2 | C6 | O7 | H8 | 60.9° | 180.0° |
| H3 | C8 | C9 | H9 | 123.3° | 180.0° |
| H3 | C8 | C9 | H10 | 120.0° | 60.1° |
| H4 | C8 | C9 | H9 | 112.5° | 60.0° |
| H4 | C8 | C9 | H10 | 4.2° | 180.0° |
| H5 | C10 | C9 | H9 | 89.1° | 65.0° |
| H5 | C10 | C9 | H10 | 154.2° | 175.0° |
| H5 | C10 | C11 | H11 | 57.9° | 60.0° |
| H5 | C10 | C11 | H12 | 177.9° | 60.0° |
| H5 | C10 | C11 | H13 | 62.2° | 180.0° |
| H5 | C10 | C12 | H14 | 61.7° | 180.0° |
| H5 | C10 | C12 | H15 | 178.3° | 60.0° |
| H5 | C10 | C12 | H16 | 58.3° | 60.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | H15 | H16 | 120.0° | 119.9° |
