4TF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.56Å | 1.52Å | |
| C03 | C04 | sing | 1.55Å | 1.53Å | |
| O18 | C16 | doub | 1.21Å | 1.25Å | |
| C02 | C01 | sing | 1.56Å | 1.52Å | |
| C02 | O10 | sing | 1.47Å | 1.42Å | |
| C16 | C01 | sing | 1.51Å | 1.50Å | |
| C16 | O17 | sing | 1.34Å | 1.25Å | |
| C01 | C06 | sing | 1.55Å | 1.53Å | |
| O10 | C05 | sing | 1.46Å | 1.43Å | |
| C04 | C11 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.56Å | 1.53Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| C05 | C06 | sing | 1.56Å | 1.53Å | |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| C07 | O08 | doub | 1.21Å | 1.26Å | |
| C07 | O09 | sing | 1.34Å | 1.25Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| O09 | H4 | sing | 0.97Å | 0.95Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 101.6° | 102.8° |
| C03 | C02 | C01 | 107.5° | 105.4° |
| C03 | C02 | O10 | 102.0° | 101.2° |
| C03 | C02 | H5 | 114.0° | 115.9° |
| C02 | C03 | H7 | 111.4° | 110.7° |
| C02 | C03 | H8 | 111.4° | 110.7° |
| C03 | C04 | C11 | 111.3° | 110.7° |
| C03 | C04 | C05 | 102.1° | 102.8° |
| C04 | C03 | H7 | 111.4° | 110.8° |
| C04 | C03 | H8 | 111.4° | 110.7° |
| C03 | C04 | H9 | 109.7° | 110.8° |
| O18 | C16 | C01 | 116.9° | 120.0° |
| O18 | C16 | O17 | 122.6° | 120.0° |
| C01 | C02 | O10 | 101.9° | 101.2° |
| C02 | C01 | C16 | 112.8° | 110.7° |
| C02 | C01 | C06 | 102.5° | 102.8° |
| C02 | C01 | H2 | 108.5° | 110.9° |
| C01 | C02 | H5 | 114.1° | 115.4° |
| C02 | O10 | C05 | 98.2° | 99.7° |
| O10 | C02 | H5 | 115.9° | 115.7° |
| C01 | C16 | O17 | 120.4° | 120.0° |
| C16 | C01 | C06 | 115.5° | 110.8° |
| C16 | C01 | H2 | 108.8° | 110.7° |
| C16 | O17 | H1 | 109.5° | 117.0° |
| C01 | C06 | C05 | 100.7° | 102.8° |
| C01 | C06 | C07 | 113.7° | 110.8° |
| C06 | C01 | H2 | 108.3° | 110.8° |
| C01 | C06 | H3 | 109.9° | 110.8° |
| O10 | C05 | C04 | 101.6° | 101.2° |
| O10 | C05 | C06 | 100.7° | 101.2° |
| O10 | C05 | H6 | 115.2° | 115.7° |
| C11 | C04 | C05 | 114.3° | 110.8° |
| C04 | C11 | O12 | 111.2° | 109.5° |
| C11 | C04 | H9 | 109.6° | 110.7° |
| C04 | C11 | H10 | 109.1° | 109.5° |
| C04 | C11 | H11 | 109.0° | 109.5° |
| C04 | C05 | C06 | 111.1° | 105.3° |
| C04 | C05 | H6 | 113.5° | 115.9° |
| C05 | C04 | H9 | 109.6° | 110.9° |
| C11 | O12 | C13 | 113.7° | 114.0° |
| O12 | C11 | H10 | 109.0° | 109.5° |
| O12 | C11 | H11 | 109.0° | 109.5° |
| C05 | C06 | C07 | 111.8° | 110.7° |
| C05 | C06 | H3 | 110.1° | 110.9° |
| C06 | C05 | H6 | 113.5° | 115.4° |
| C06 | C07 | O08 | 120.3° | 120.0° |
| C06 | C07 | O09 | 118.1° | 120.0° |
| C07 | C06 | H3 | 110.3° | 110.6° |
| O12 | C13 | C14 | 111.8° | 109.5° |
| O12 | C13 | H12 | 108.9° | 109.5° |
| O12 | C13 | H13 | 108.9° | 109.5° |
| O08 | C07 | O09 | 121.6° | 120.0° |
| C07 | O09 | H4 | 109.5° | 117.0° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C14 | C13 | H12 | 108.9° | 109.5° |
| C14 | C13 | H13 | 108.9° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| C13 | C14 | H15 | 109.2° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C15 | C14 | H15 | 109.2° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 110.9° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.4° | 109.4° |
| H16 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H7 | 118.7° | 118.3° |
| C02 | C03 | C04 | H8 | 118.7° | 118.3° |
| C03 | C02 | C01 | O10 | 106.8° | 105.1° |
| C03 | C02 | C01 | H5 | 127.5° | 129.2° |
| C03 | C02 | O10 | H5 | 124.5° | 126.2° |
| C03 | C02 | C01 | C16 | 157.8° | 169.0° |
| C03 | C02 | C01 | C06 | 77.3° | 72.7° |
| C03 | C02 | O10 | C05 | 56.1° | 54.2° |
| C02 | C03 | C04 | C11 | 122.1° | 118.3° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | H2 | 37.1° | 45.7° |
| C02 | C03 | H7 | H8 | 123.7° | 123.3° |
| C02 | C03 | C04 | H9 | 116.4° | 118.5° |
| C04 | C03 | C02 | C01 | 72.8° | 72.7° |
| C04 | C03 | C02 | O10 | 33.9° | 32.4° |
| C03 | C04 | C05 | O10 | 33.3° | 32.4° |
| C03 | C04 | C11 | C05 | 115.0° | 113.4° |
| C03 | C04 | C11 | H9 | 121.5° | 123.2° |
| C03 | C04 | C05 | H9 | 116.2° | 118.4° |
| C03 | C04 | C11 | O12 | 125.3° | 66.7° |
| C03 | C04 | C05 | C06 | 73.1° | 72.7° |
| C04 | C03 | C02 | H5 | 159.7° | 158.4° |
| C03 | C04 | C05 | H6 | 157.6° | 158.4° |
| C04 | C03 | H7 | H8 | 123.7° | 123.3° |
| C03 | C04 | C11 | H10 | 5.0° | 53.4° |
| C03 | C04 | C11 | H11 | 114.5° | 173.4° |
| O18 | C16 | C01 | C02 | 117.8° | 24.3° |
| O18 | C16 | C01 | O17 | 179.7° | 179.8° |
| O18 | C16 | C01 | C06 | 124.7° | 89.0° |
| O18 | C16 | O17 | H1 | 0.0° | 0.0° |
| O18 | C16 | C01 | H2 | 2.6° | 147.7° |
| C01 | C02 | O10 | H5 | 124.5° | 125.5° |
| C02 | C01 | C16 | C06 | 117.4° | 113.3° |
| C02 | C01 | C16 | H2 | 120.5° | 123.4° |
| C02 | C01 | C16 | O17 | 62.5° | 155.9° |
| C02 | C01 | C06 | H2 | 114.6° | 118.4° |
| C01 | C02 | O10 | C05 | 54.9° | 54.2° |
| C02 | C01 | C06 | C05 | 5.4° | 0.0° |
| C02 | C01 | C06 | C07 | 114.4° | 118.3° |
| C02 | C01 | C06 | H3 | 121.4° | 118.5° |
| C01 | C02 | C03 | H7 | 168.5° | 169.0° |
| C01 | C02 | C03 | H8 | 45.9° | 45.6° |
| O10 | C02 | C01 | C16 | 95.4° | 85.9° |
| O10 | C02 | C01 | C06 | 29.5° | 32.4° |
| C02 | O10 | C05 | C04 | 55.6° | 54.2° |
| C02 | O10 | C05 | C06 | 58.7° | 54.1° |
| O10 | C02 | C01 | H2 | 144.0° | 150.8° |
| C02 | O10 | C05 | H6 | 178.8° | 179.6° |
| O10 | C02 | C03 | H7 | 84.8° | 85.9° |
| O10 | C02 | C03 | H8 | 152.7° | 150.7° |
| C16 | C01 | C06 | H2 | 122.4° | 123.2° |
| C16 | C01 | C06 | C05 | 128.4° | 118.3° |
| C16 | C01 | C06 | C07 | 8.7° | 0.0° |
| C01 | C16 | O17 | H1 | 179.7° | 179.7° |
| C16 | C01 | C06 | H3 | 115.5° | 123.2° |
| C16 | C01 | C02 | H5 | 30.3° | 39.8° |
| O17 | C16 | C01 | C06 | 55.0° | 90.8° |
| O17 | C16 | C01 | H2 | 177.1° | 32.5° |
| C01 | C06 | C05 | O10 | 38.5° | 32.4° |
| C01 | C06 | C05 | C04 | 68.5° | 72.7° |
| C01 | C06 | C05 | C07 | 121.0° | 118.3° |
| C01 | C06 | C05 | H3 | 116.0° | 118.4° |
| C01 | C06 | C07 | H3 | 124.0° | 123.2° |
| C01 | C06 | C07 | O08 | 101.4° | 89.1° |
| C01 | C06 | C07 | O09 | 77.9° | 90.9° |
| C06 | C01 | C02 | H5 | 155.2° | 158.1° |
| C01 | C06 | C05 | H6 | 162.2° | 158.1° |
| O10 | C05 | C04 | C11 | 153.6° | 150.7° |
| O10 | C05 | C04 | C06 | 106.4° | 105.1° |
| O10 | C05 | C04 | H6 | 124.3° | 126.1° |
| O10 | C05 | C06 | H6 | 123.7° | 125.7° |
| O10 | C05 | C06 | C07 | 82.6° | 85.9° |
| O10 | C05 | C06 | H3 | 154.4° | 150.8° |
| C05 | O10 | C02 | H5 | 179.4° | 179.7° |
| O10 | C05 | C04 | H9 | 82.9° | 86.0° |
| C11 | C04 | C05 | H9 | 123.5° | 123.3° |
| C04 | C11 | O12 | H10 | 120.3° | 120.0° |
| C04 | C11 | O12 | H11 | 120.3° | 120.0° |
| C11 | C04 | C05 | C06 | 47.3° | 45.6° |
| C04 | C11 | O12 | C13 | 143.2° | 180.0° |
| C11 | C04 | C05 | H6 | 82.1° | 83.2° |
| C11 | C04 | C03 | H7 | 119.2° | 123.4° |
| C11 | C04 | C03 | H8 | 3.4° | 0.0° |
| C04 | C11 | H10 | H11 | 119.2° | 120.0° |
| C05 | C04 | C11 | O12 | 119.7° | 180.0° |
| C04 | C05 | C06 | H6 | 129.3° | 129.2° |
| C04 | C05 | C06 | C07 | 170.4° | 169.0° |
| C04 | C05 | C06 | H3 | 47.4° | 45.7° |
| C05 | C04 | C03 | H7 | 118.5° | 118.3° |
| C05 | C04 | C03 | H8 | 119.0° | 118.3° |
| C05 | C04 | C11 | H10 | 120.0° | 60.0° |
| C05 | C04 | C11 | H11 | 0.5° | 60.0° |
| C11 | O12 | C13 | C14 | 75.6° | 180.0° |
| O12 | C11 | C04 | H9 | 3.8° | 56.6° |
| O12 | C11 | H10 | H11 | 119.2° | 120.0° |
| C11 | O12 | C13 | H12 | 44.7° | 60.0° |
| C11 | O12 | C13 | H13 | 164.0° | 60.0° |
| C05 | C06 | C07 | H3 | 122.8° | 123.4° |
| C05 | C06 | C07 | O08 | 11.8° | 24.3° |
| C05 | C06 | C07 | O09 | 168.9° | 155.7° |
| C05 | C06 | C01 | H2 | 109.2° | 118.5° |
| C06 | C05 | C04 | H9 | 170.7° | 168.9° |
| C06 | C07 | O08 | O09 | 179.3° | 180.0° |
| C07 | C06 | C01 | H2 | 131.1° | 123.2° |
| C06 | C07 | O09 | H4 | 179.3° | 180.0° |
| C07 | C06 | C05 | H6 | 41.1° | 39.8° |
| O12 | C13 | C14 | H12 | 120.3° | 120.0° |
| O12 | C13 | C14 | H13 | 120.4° | 120.0° |
| O12 | C13 | C14 | C15 | 152.4° | 180.0° |
| C13 | O12 | C11 | H10 | 96.5° | 60.0° |
| C13 | O12 | C11 | H11 | 23.0° | 60.0° |
| O12 | C13 | H12 | H13 | 118.9° | 120.0° |
| O12 | C13 | C14 | H14 | 87.5° | 60.0° |
| O12 | C13 | C14 | H15 | 32.2° | 60.0° |
| O08 | C07 | C06 | H3 | 134.6° | 147.7° |
| O08 | C07 | O09 | H4 | 0.0° | 0.0° |
| O09 | C07 | C06 | H3 | 46.1° | 32.3° |
| C13 | C14 | C15 | H14 | 120.2° | 120.0° |
| C13 | C14 | C15 | H15 | 120.1° | 120.0° |
| C14 | C13 | H12 | H13 | 119.0° | 120.0° |
| C13 | C14 | H14 | H15 | 119.5° | 120.0° |
| C13 | C14 | C15 | H16 | 180.0° | 60.0° |
| C13 | C14 | C15 | H17 | 60.0° | 59.9° |
| C13 | C14 | C15 | H18 | 60.0° | 180.0° |
| C15 | C14 | C13 | H12 | 32.0° | 60.0° |
| C15 | C14 | C13 | H13 | 87.3° | 60.0° |
| C15 | C14 | H14 | H15 | 119.5° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H18 | 120.0° | 120.1° |
| H2 | C01 | C06 | H3 | 6.9° | 0.1° |
| H2 | C01 | C02 | H5 | 90.3° | 83.5° |
| H3 | C06 | C05 | H6 | 81.9° | 83.5° |
| H5 | C02 | C03 | H7 | 41.0° | 40.1° |
| H5 | C02 | C03 | H8 | 81.6° | 83.3° |
| H6 | C05 | C04 | H9 | 41.4° | 40.0° |
| H7 | C03 | C04 | H9 | 2.3° | 0.2° |
| H8 | C03 | C04 | H9 | 124.8° | 123.2° |
| H9 | C04 | C11 | H10 | 116.5° | 176.6° |
| H9 | C04 | C11 | H11 | 124.0° | 63.4° |
| H12 | C13 | C14 | H14 | 152.2° | NaN° |
| H12 | C13 | C14 | H15 | 88.1° | 60.0° |
| H13 | C13 | C14 | H14 | 32.9° | 60.0° |
| H13 | C13 | C14 | H15 | 152.6° | 180.0° |
| H14 | C14 | C15 | H16 | 59.8° | 180.0° |
| H14 | C14 | C15 | H17 | 179.8° | 60.1° |
| H14 | C14 | C15 | H18 | 60.2° | 60.1° |
| H15 | C14 | C15 | H16 | 59.9° | 60.0° |
| H15 | C14 | C15 | H17 | 60.1° | 180.0° |
| H15 | C14 | C15 | H18 | 179.8° | 59.9° |
| H16 | C15 | H17 | H18 | 120.0° | 119.9° |
