40F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.35Å | |
| N | C1 | sing | 1.47Å | 1.48Å | |
| C | C1 | sing | 1.51Å | 1.55Å | |
| C | O1 | sing | 1.34Å | 1.22Å | |
| C1 | C2 | sing | 1.54Å | 1.50Å | |
| C1 | C7 | sing | 1.55Å | 1.56Å | |
| C2 | C3 | sing | 1.55Å | 1.50Å | |
| C2 | C5 | sing | 1.54Å | 1.53Å | |
| C7 | C6 | sing | 1.55Å | 1.58Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | doub | 1.21Å | 1.22Å | |
| C4 | O2 | sing | 1.34Å | 1.36Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 118.2° | 120.0° |
| O | C | O1 | 116.3° | 120.0° |
| N | C1 | C | 110.6° | 110.5° |
| N | C1 | C2 | 110.5° | 110.5° |
| N | C1 | C7 | 113.9° | 110.5° |
| C1 | N | H10 | 109.5° | 111.0° |
| C1 | N | H11 | 109.4° | 111.0° |
| C1 | C | O1 | 125.5° | 120.0° |
| C | C1 | C2 | 107.8° | 110.4° |
| C | C1 | C7 | 109.2° | 110.5° |
| C | O1 | H1 | 109.5° | 117.0° |
| C2 | C1 | C7 | 104.5° | 104.2° |
| C1 | C2 | C3 | 115.3° | 118.3° |
| C1 | C2 | C5 | 109.7° | 106.6° |
| C1 | C2 | H9 | 119.2° | 117.4° |
| C1 | C7 | C6 | 106.5° | 102.7° |
| C1 | C7 | H2 | 110.2° | 110.7° |
| C1 | C7 | H3 | 110.2° | 110.9° |
| C3 | C2 | C5 | 60.8° | 59.3° |
| C2 | C3 | C4 | 118.8° | 117.2° |
| C2 | C3 | C5 | 60.4° | 59.8° |
| C2 | C3 | H8 | 114.8° | 118.0° |
| C3 | C2 | H9 | 119.3° | 119.5° |
| C2 | C5 | C3 | 58.8° | 60.9° |
| C2 | C5 | C6 | 108.4° | 106.6° |
| C2 | C5 | H7 | 120.1° | 121.3° |
| C5 | C2 | H9 | 118.7° | 122.1° |
| C7 | C6 | C5 | 104.5° | 104.1° |
| C6 | C7 | H2 | 110.2° | 110.7° |
| C6 | C7 | H3 | 110.2° | 110.8° |
| C7 | C6 | H5 | 110.7° | 110.4° |
| C7 | C6 | H6 | 110.7° | 110.5° |
| C4 | C3 | C5 | 122.3° | 117.5° |
| C3 | C4 | O3 | 123.9° | 120.0° |
| C3 | C4 | O2 | 115.4° | 120.0° |
| C4 | C3 | H8 | 115.2° | 115.5° |
| C3 | C5 | C6 | 113.8° | 118.2° |
| C3 | C5 | H7 | 120.0° | 119.3° |
| C5 | C3 | H8 | 114.3° | 117.4° |
| O3 | C4 | O2 | 120.7° | 120.0° |
| C4 | O2 | H4 | 109.5° | 117.0° |
| C5 | C6 | H5 | 110.7° | 110.5° |
| C5 | C6 | H6 | 110.7° | 110.6° |
| C6 | C5 | H7 | 120.3° | 117.4° |
| H2 | C7 | H3 | 109.5° | 110.8° |
| H5 | C6 | H6 | 109.4° | 110.5° |
| H10 | N | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | N | 1.9° | 147.6° |
| O | C | C1 | O1 | 178.8° | 179.9° |
| O | C | C1 | C2 | 122.8° | 25.1° |
| O | C | C1 | C7 | 124.3° | 89.7° |
| O | C | O1 | H1 | 0.0° | 0.1° |
| N | C1 | C | C2 | 120.9° | 122.6° |
| N | C1 | C | C7 | 126.1° | 122.7° |
| N | C1 | C | O1 | 179.4° | 32.4° |
| N | C1 | C2 | C7 | 122.9° | 118.7° |
| N | C1 | C2 | C3 | 73.2° | 31.5° |
| N | C1 | C2 | C5 | 139.4° | 95.1° |
| N | C1 | C7 | C6 | 145.6° | 80.7° |
| N | C1 | C7 | H2 | 94.8° | 37.5° |
| N | C1 | C7 | H3 | 26.1° | 160.9° |
| N | C1 | C2 | H9 | 78.8° | 123.8° |
| C1 | N | H10 | H11 | 120.0° | 124.0° |
| C | C1 | C2 | C7 | 116.1° | 118.7° |
| C | C1 | C2 | C3 | 165.8° | 154.2° |
| C | C1 | C2 | C5 | 99.6° | 142.3° |
| C | C1 | C7 | C6 | 90.2° | 156.6° |
| C1 | C | O1 | H1 | 178.8° | 180.0° |
| C | C1 | C7 | H2 | 29.3° | 85.2° |
| C | C1 | C7 | H3 | 150.3° | 38.2° |
| C | C1 | C2 | H9 | 42.1° | 1.2° |
| C | C1 | N | H10 | 180.0° | 57.4° |
| C | C1 | N | H11 | 60.0° | 66.6° |
| O1 | C | C1 | C2 | 58.4° | 155.0° |
| O1 | C | C1 | C7 | 54.5° | 90.2° |
| C1 | C2 | C3 | C5 | 99.4° | 93.2° |
| C1 | C2 | C3 | H9 | 152.1° | 154.8° |
| C1 | C2 | C5 | H9 | 142.0° | 138.9° |
| C2 | C1 | C7 | C6 | 24.9° | 38.0° |
| C1 | C2 | C3 | C4 | 147.7° | 159.2° |
| C1 | C2 | C5 | C6 | 1.5° | 0.0° |
| C2 | C1 | C7 | H2 | 144.4° | 156.2° |
| C2 | C1 | C7 | H3 | 94.6° | 80.4° |
| C1 | C2 | C5 | H7 | 142.4° | 138.0° |
| C1 | C2 | C3 | H8 | 5.6° | 13.9° |
| C2 | C1 | N | H10 | 60.7° | 180.0° |
| C2 | C1 | N | H11 | 179.3° | 56.0° |
| C7 | C1 | C2 | C3 | 49.7° | 87.2° |
| C7 | C1 | C2 | C5 | 16.5° | 23.6° |
| C1 | C7 | C6 | H2 | 119.5° | 118.2° |
| C1 | C7 | C6 | H3 | 119.5° | 118.5° |
| C1 | C7 | C6 | C5 | 24.1° | 38.0° |
| C1 | C7 | H2 | H3 | 121.4° | 123.5° |
| C1 | C7 | C6 | H5 | 95.2° | 156.6° |
| C1 | C7 | C6 | H6 | 143.3° | 80.8° |
| C7 | C1 | C2 | H9 | 158.2° | 117.5° |
| C7 | C1 | N | H10 | 56.6° | 65.2° |
| C7 | C1 | N | H11 | 63.5° | 170.8° |
| C3 | C2 | C5 | H9 | 109.4° | 107.6° |
| C2 | C3 | C4 | C5 | 71.4° | 68.3° |
| C2 | C3 | C4 | H8 | 142.0° | 146.2° |
| C2 | C3 | C5 | H8 | 105.9° | 108.1° |
| C2 | C3 | C4 | O3 | 134.7° | 0.3° |
| C2 | C3 | C4 | O2 | 45.0° | 179.7° |
| C3 | C2 | C5 | C6 | 107.1° | 113.5° |
| C3 | C2 | C5 | H7 | 108.9° | 108.5° |
| C2 | C5 | C6 | C7 | 14.0° | 23.7° |
| C2 | C5 | C6 | H7 | 143.9° | 140.0° |
| C2 | C5 | C6 | H5 | 105.3° | 142.3° |
| C2 | C5 | C6 | H6 | 133.2° | 95.0° |
| C7 | C6 | C5 | C3 | 49.3° | 89.1° |
| C7 | C6 | C5 | H5 | 119.2° | 118.6° |
| C7 | C6 | C5 | H6 | 119.2° | 118.7° |
| C6 | C7 | H2 | H3 | 121.3° | 123.2° |
| C7 | C6 | H5 | H6 | 122.3° | 122.6° |
| C7 | C6 | C5 | H7 | 157.8° | 116.4° |
| C4 | C3 | C5 | H8 | 146.9° | 144.9° |
| C3 | C4 | O3 | O2 | 179.7° | 180.0° |
| C4 | C3 | C5 | C6 | 154.9° | 158.7° |
| C3 | C4 | O2 | H4 | 179.7° | 180.0° |
| C4 | C3 | C5 | H7 | 1.9° | 4.7° |
| C4 | C3 | C2 | H9 | 4.4° | 4.4° |
| C5 | C3 | C4 | O3 | 153.9° | 68.6° |
| C5 | C3 | C4 | O2 | 26.4° | 111.4° |
| C3 | C5 | C6 | H7 | 152.9° | 154.6° |
| C3 | C5 | C6 | H5 | 168.5° | 152.3° |
| C3 | C5 | C6 | H6 | 69.9° | 29.6° |
| O3 | C4 | O2 | H4 | 0.0° | 0.0° |
| O3 | C4 | C3 | H8 | 7.3° | 145.9° |
| O2 | C4 | C3 | H8 | 173.0° | 34.1° |
| C5 | C6 | C7 | H2 | 143.6° | 156.2° |
| C5 | C6 | C7 | H3 | 95.5° | 80.5° |
| C5 | C6 | H5 | H6 | 122.3° | 122.7° |
| C6 | C5 | C3 | H8 | 8.0° | 13.9° |
| C6 | C5 | C2 | H9 | 143.5° | 138.9° |
| H2 | C7 | C6 | H5 | 24.4° | 85.1° |
| H2 | C7 | C6 | H6 | 97.2° | 37.4° |
| H3 | C7 | C6 | H5 | 145.3° | 38.1° |
| H3 | C7 | C6 | H6 | 23.7° | 160.7° |
| H5 | C6 | C5 | H7 | 38.6° | 2.2° |
| H6 | C6 | C5 | H7 | 82.9° | 124.9° |
| H7 | C5 | C3 | H8 | 145.0° | 140.2° |
| H7 | C5 | C2 | H9 | 0.5° | 0.8° |
| H8 | C3 | C2 | H9 | 146.5° | 140.9° |
