DD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C01 | sing | 1.40Å | 1.35Å | |
| F01 | C01 | sing | 1.40Å | 1.35Å | |
| C01 | O01 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.37Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.38Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.46Å | |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C21 | N02 | sing | 1.35Å | 1.33Å | Aromatic |
| C03 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.36Å | |
| N01 | N02 | sing | 1.40Å | 1.34Å | Aromatic |
| N02 | C14 | sing | 1.47Å | 1.46Å | |
| O02 | C04 | sing | 1.43Å | 1.41Å | |
| O04 | C15 | sing | 1.43Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C04 | C05 | sing | 1.54Å | 1.51Å | |
| C04 | C08 | sing | 1.55Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C05 | C06 | sing | 1.54Å | 1.53Å | |
| C08 | C07 | sing | 1.55Å | 1.52Å | |
| C06 | C07 | sing | 1.54Å | 1.52Å | |
| C16 | N03 | sing | 1.47Å | 1.50Å | |
| N03 | C20 | sing | 1.47Å | 1.48Å | |
| N03 | C17 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | O03 | sing | 1.43Å | 1.44Å | |
| C18 | O03 | sing | 1.43Å | 1.44Å | |
| C15 | H01 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C04 | H03 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H04 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H09 | sing | 1.09Å | 1.10Å | |
| C07 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O04 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C01 | F01 | 109.1° | 109.5° |
| F02 | C01 | O01 | 112.3° | 109.4° |
| F02 | C01 | H02 | 109.2° | 109.5° |
| F01 | C01 | O01 | 108.5° | 109.5° |
| F01 | C01 | H02 | 109.2° | 109.5° |
| C01 | O01 | C02 | 120.9° | 117.0° |
| O01 | C01 | H02 | 108.4° | 109.5° |
| C11 | C12 | C02 | 120.4° | 120.1° |
| C12 | C11 | C10 | 120.3° | 120.0° |
| C12 | C11 | H13 | 119.8° | 120.0° |
| C11 | C12 | H14 | 119.8° | 119.9° |
| C12 | C02 | O01 | 127.5° | 120.0° |
| C12 | C02 | C03 | 118.9° | 120.1° |
| C02 | C12 | H14 | 119.8° | 120.0° |
| C11 | C10 | C13 | 126.5° | 120.0° |
| C11 | C10 | C09 | 118.2° | 119.9° |
| C10 | C11 | H13 | 119.8° | 120.0° |
| O01 | C02 | C03 | 113.6° | 119.9° |
| C02 | C03 | C09 | 120.2° | 120.0° |
| C02 | C03 | O02 | 115.9° | 120.0° |
| C13 | C22 | C21 | 104.9° | 107.9° |
| C22 | C13 | C10 | 130.8° | 126.1° |
| C22 | C13 | N01 | 109.2° | 107.9° |
| C13 | C22 | H28 | 127.5° | 126.0° |
| C22 | C21 | N02 | 107.8° | 108.0° |
| C22 | C21 | H27 | 126.1° | 126.0° |
| C21 | C22 | H28 | 127.5° | 126.1° |
| C13 | C10 | C09 | 115.3° | 120.0° |
| C10 | C13 | N01 | 119.9° | 126.1° |
| C10 | C09 | C03 | 121.9° | 119.8° |
| C10 | C09 | H12 | 119.1° | 120.1° |
| C13 | N01 | N02 | 106.1° | 108.1° |
| C21 | N02 | N01 | 111.9° | 108.2° |
| C21 | N02 | C14 | 126.0° | 125.9° |
| N02 | C21 | H27 | 126.1° | 126.0° |
| C09 | C03 | O02 | 123.8° | 120.0° |
| C03 | C09 | H12 | 119.0° | 120.1° |
| C03 | O02 | C04 | 115.6° | 117.0° |
| N01 | N02 | C14 | 122.1° | 125.9° |
| N02 | C14 | C15 | 115.9° | 109.5° |
| N02 | C14 | H16 | 107.9° | 109.5° |
| N02 | C14 | H15 | 107.9° | 109.5° |
| O02 | C04 | C05 | 104.6° | 110.5° |
| O02 | C04 | C08 | 116.5° | 110.5° |
| O02 | C04 | H03 | 112.2° | 110.5° |
| O04 | C15 | C14 | 114.4° | 109.5° |
| O04 | C15 | C16 | 110.6° | 109.5° |
| O04 | C15 | H01 | 107.6° | 109.5° |
| C15 | O04 | H29 | 109.5° | 114.0° |
| C14 | C15 | C16 | 111.4° | 109.5° |
| C14 | C15 | H01 | 106.2° | 109.5° |
| C15 | C14 | H16 | 107.8° | 109.5° |
| C15 | C14 | H15 | 107.8° | 109.4° |
| C05 | C04 | C08 | 101.7° | 104.2° |
| C04 | C05 | C06 | 100.7° | 106.6° |
| C05 | C04 | H03 | 110.6° | 110.5° |
| C04 | C05 | H05 | 111.6° | 110.0° |
| C04 | C05 | H04 | 111.6° | 110.0° |
| C04 | C08 | C07 | 107.5° | 102.7° |
| C08 | C04 | H03 | 110.4° | 110.6° |
| C04 | C08 | H10 | 110.0° | 110.7° |
| C04 | C08 | H11 | 110.0° | 110.7° |
| C15 | C16 | N03 | 123.1° | 109.5° |
| C16 | C15 | H01 | 106.1° | 109.5° |
| C15 | C16 | H18 | 105.9° | 109.5° |
| C15 | C16 | H17 | 106.0° | 109.5° |
| C05 | C06 | C07 | 104.0° | 106.6° |
| C06 | C05 | H05 | 111.6° | 110.0° |
| C06 | C05 | H04 | 111.6° | 110.1° |
| C05 | C06 | H06 | 110.8° | 110.0° |
| C05 | C06 | H07 | 110.8° | 110.0° |
| C08 | C07 | C06 | 103.7° | 104.2° |
| C08 | C07 | H09 | 110.9° | 110.5° |
| C08 | C07 | H08 | 110.9° | 110.6° |
| C07 | C08 | H10 | 110.0° | 110.8° |
| C07 | C08 | H11 | 110.0° | 110.8° |
| C07 | C06 | H06 | 110.8° | 110.1° |
| C07 | C06 | H07 | 110.8° | 110.0° |
| C06 | C07 | H09 | 110.9° | 110.5° |
| C06 | C07 | H08 | 110.9° | 110.5° |
| C16 | N03 | C20 | 111.3° | 111.0° |
| C16 | N03 | C17 | 108.0° | 111.0° |
| N03 | C16 | H18 | 106.0° | 109.5° |
| N03 | C16 | H17 | 105.9° | 109.5° |
| C20 | N03 | C17 | 104.5° | 110.8° |
| N03 | C20 | C19 | 115.7° | 109.3° |
| N03 | C20 | H26 | 107.9° | 109.5° |
| N03 | C20 | H25 | 107.9° | 109.5° |
| N03 | C17 | C18 | 116.1° | 109.2° |
| N03 | C17 | H19 | 107.8° | 109.4° |
| N03 | C17 | H20 | 107.8° | 109.6° |
| C20 | C19 | O03 | 117.3° | 109.3° |
| C19 | C20 | H26 | 107.9° | 109.5° |
| C19 | C20 | H25 | 107.9° | 109.5° |
| C20 | C19 | H24 | 107.5° | 109.5° |
| C20 | C19 | H23 | 107.5° | 109.6° |
| C17 | C18 | O03 | 117.2° | 109.3° |
| C18 | C17 | H19 | 107.8° | 109.5° |
| C18 | C17 | H20 | 107.8° | 109.6° |
| C17 | C18 | H22 | 107.5° | 109.5° |
| C17 | C18 | H21 | 107.5° | 109.5° |
| C19 | O03 | C18 | 117.6° | 113.7° |
| O03 | C19 | H24 | 107.5° | 109.5° |
| O03 | C19 | H23 | 107.5° | 109.5° |
| O03 | C18 | H22 | 107.5° | 109.5° |
| O03 | C18 | H21 | 107.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H26 | C20 | H25 | 109.5° | 109.5° |
| H05 | C05 | H04 | 109.4° | 110.1° |
| H06 | C06 | H07 | 109.5° | 110.1° |
| H09 | C07 | H08 | 109.4° | 110.4° |
| H10 | C08 | H11 | 109.4° | 110.9° |
| H16 | C14 | H15 | 109.5° | 109.5° |
| H18 | C16 | H17 | 109.5° | 109.4° |
| H22 | C18 | H21 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C01 | F01 | O01 | 122.6° | 120.0° |
| F02 | C01 | F01 | H02 | 119.4° | 120.1° |
| F02 | C01 | O01 | H02 | 120.8° | 120.0° |
| F02 | C01 | O01 | C02 | 51.8° | 60.0° |
| F01 | C01 | O01 | H02 | 118.5° | 120.0° |
| F01 | C01 | O01 | C02 | 68.9° | 60.0° |
| C01 | O01 | C02 | C12 | 6.2° | 0.3° |
| C01 | O01 | C02 | C03 | 172.6° | 179.9° |
| C11 | C12 | C02 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C11 | C12 | C02 | O01 | 179.2° | 180.0° |
| C11 | C12 | C02 | C03 | 0.5° | 0.3° |
| C12 | C11 | C10 | C13 | 178.1° | 180.0° |
| C12 | C11 | C10 | C09 | 0.8° | 0.3° |
| C02 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C02 | O01 | C03 | 178.8° | 179.7° |
| C12 | C02 | C03 | C09 | 0.3° | 0.3° |
| C12 | C02 | C03 | O02 | 179.9° | 179.8° |
| C02 | C12 | C11 | H13 | 179.9° | 180.0° |
| C11 | C10 | C13 | C22 | 4.3° | 0.1° |
| C11 | C10 | C13 | C09 | 177.4° | 179.6° |
| C11 | C10 | C13 | N01 | 179.6° | 179.7° |
| C11 | C10 | C09 | C03 | 1.0° | 0.3° |
| C11 | C10 | C09 | H12 | 179.0° | 179.7° |
| C10 | C11 | C12 | H14 | 180.0° | 180.0° |
| O01 | C02 | C03 | C09 | 179.2° | 180.0° |
| O01 | C02 | C03 | O02 | 1.2° | 0.1° |
| C02 | O01 | C01 | H02 | 172.5° | 180.0° |
| O01 | C02 | C12 | H14 | 0.8° | 0.0° |
| C02 | C03 | C09 | C10 | 0.5° | 0.0° |
| C02 | C03 | C09 | O02 | 179.6° | 179.9° |
| C02 | C03 | O02 | C04 | 163.8° | 174.7° |
| C02 | C03 | C09 | H12 | 179.5° | 179.9° |
| C03 | C02 | C12 | H14 | 179.5° | 179.7° |
| C13 | C22 | C21 | H28 | 180.0° | 180.0° |
| C22 | C13 | C10 | N01 | 176.0° | 179.7° |
| C22 | C13 | C10 | C09 | 173.1° | 179.7° |
| C13 | C22 | C21 | N02 | 1.7° | 0.1° |
| C22 | C13 | N01 | N02 | 1.0° | 0.2° |
| C13 | C22 | C21 | H27 | 178.3° | 179.8° |
| C21 | C22 | C13 | C10 | 178.0° | 180.0° |
| C21 | C22 | C13 | N01 | 1.7° | 0.2° |
| C22 | C21 | N02 | H27 | 180.0° | 179.9° |
| C22 | C21 | N02 | N01 | 1.2° | 0.0° |
| C22 | C21 | N02 | C14 | 180.0° | 180.0° |
| C13 | C10 | C09 | C03 | 178.6° | 179.9° |
| C10 | C13 | N01 | N02 | 177.8° | 180.0° |
| C10 | C13 | C22 | H28 | 2.0° | 0.0° |
| C13 | C10 | C09 | H12 | 1.3° | 0.1° |
| C13 | C10 | C11 | H13 | 1.9° | 0.1° |
| C09 | C10 | C13 | N01 | 3.0° | 0.1° |
| C10 | C09 | C03 | H12 | 180.0° | 180.0° |
| C10 | C09 | C03 | O02 | 179.1° | 179.9° |
| C09 | C10 | C11 | H13 | 179.2° | 179.7° |
| C13 | N01 | N02 | C21 | 0.1° | 0.2° |
| C13 | N01 | N02 | C14 | 179.0° | 179.9° |
| N01 | C13 | C22 | H28 | 178.3° | 179.8° |
| C21 | N02 | N01 | C14 | 178.9° | 180.0° |
| C21 | N02 | C14 | C15 | 54.9° | 125.0° |
| N02 | C21 | C22 | H28 | 178.3° | 179.9° |
| C21 | N02 | C14 | H16 | 66.1° | 5.0° |
| C21 | N02 | C14 | H15 | 175.8° | 115.0° |
| C09 | C03 | O02 | C04 | 16.6° | 5.2° |
| C03 | O02 | C04 | C05 | 170.3° | 155.7° |
| C03 | O02 | C04 | C08 | 78.3° | 89.5° |
| C03 | O02 | C04 | H03 | 50.3° | 33.1° |
| O02 | C03 | C09 | H12 | 0.9° | 0.0° |
| N01 | N02 | C14 | C15 | 126.4° | 55.0° |
| N01 | N02 | C21 | H27 | 178.9° | 179.9° |
| N01 | N02 | C14 | H16 | 112.7° | 175.0° |
| N01 | N02 | C14 | H15 | 5.4° | 65.0° |
| N02 | C14 | C15 | O04 | 21.8° | 65.0° |
| N02 | C14 | C15 | H16 | 120.9° | 120.0° |
| N02 | C14 | C15 | H15 | 121.0° | 120.0° |
| N02 | C14 | C15 | C16 | 148.1° | 175.0° |
| N02 | C14 | C15 | H01 | 96.8° | 55.0° |
| C14 | N02 | C21 | H27 | 0.0° | 0.1° |
| N02 | C14 | H16 | H15 | 117.1° | 120.0° |
| O02 | C04 | C05 | C08 | 121.7° | 118.6° |
| O02 | C04 | C05 | H03 | 121.0° | 122.5° |
| O02 | C04 | C08 | H03 | 129.4° | 122.6° |
| O02 | C04 | C05 | C06 | 77.5° | 142.3° |
| O02 | C04 | C08 | C07 | 85.5° | 156.6° |
| O02 | C04 | C05 | H05 | 41.0° | 23.0° |
| O02 | C04 | C05 | H04 | 163.9° | 98.5° |
| O02 | C04 | C08 | H10 | 154.8° | 85.1° |
| O02 | C04 | C08 | H11 | 34.2° | 38.3° |
| O04 | C15 | C14 | C16 | 126.3° | 120.0° |
| O04 | C15 | C14 | H01 | 118.5° | 120.0° |
| O04 | C15 | C16 | H01 | 116.4° | 120.0° |
| O04 | C15 | C16 | N03 | 93.2° | 61.4° |
| O04 | C15 | C14 | H16 | 142.7° | 55.0° |
| O04 | C15 | C14 | H15 | 99.2° | 175.0° |
| O04 | C15 | C16 | H18 | 28.7° | 178.6° |
| O04 | C15 | C16 | H17 | 145.0° | 58.6° |
| C14 | C15 | C16 | H01 | 115.2° | 120.0° |
| C14 | C15 | C16 | N03 | 35.2° | 178.6° |
| C15 | C14 | H16 | H15 | 117.0° | 120.0° |
| C14 | C15 | C16 | H18 | 157.1° | 58.6° |
| C14 | C15 | C16 | H17 | 86.6° | 61.3° |
| C14 | C15 | O04 | H29 | 180.0° | 60.0° |
| C05 | C04 | C08 | H03 | 117.5° | 118.8° |
| C04 | C05 | C06 | H05 | 118.6° | 119.2° |
| C04 | C05 | C06 | H04 | 118.6° | 119.2° |
| C05 | C04 | C08 | C07 | 27.6° | 38.0° |
| C04 | C05 | C06 | C07 | 45.8° | 0.0° |
| C04 | C05 | H05 | H04 | 124.1° | 121.4° |
| C04 | C05 | C06 | H06 | 73.3° | 119.3° |
| C04 | C05 | C06 | H07 | 164.9° | 119.3° |
| C05 | C04 | C08 | H10 | 92.1° | 156.3° |
| C05 | C04 | C08 | H11 | 147.3° | 80.3° |
| C08 | C04 | C05 | C06 | 44.1° | 23.6° |
| C04 | C08 | C07 | H10 | 119.7° | 118.3° |
| C04 | C08 | C07 | H11 | 119.7° | 118.3° |
| C04 | C08 | C07 | C06 | 0.4° | 38.0° |
| C08 | C04 | C05 | H05 | 162.7° | 95.6° |
| C08 | C04 | C05 | H04 | 74.4° | 142.9° |
| C04 | C08 | C07 | H09 | 118.7° | 156.6° |
| C04 | C08 | C07 | H08 | 119.5° | 80.8° |
| C04 | C08 | H10 | H11 | 120.9° | 123.3° |
| C15 | C16 | N03 | H18 | 121.9° | 120.0° |
| C15 | C16 | N03 | H17 | 121.9° | 120.0° |
| C15 | C16 | N03 | C20 | 112.8° | 75.6° |
| C15 | C16 | N03 | C17 | 133.1° | 160.7° |
| C16 | C15 | C14 | H16 | 91.0° | 65.0° |
| C16 | C15 | C14 | H15 | 27.1° | 55.0° |
| C15 | C16 | H18 | H17 | 113.9° | 119.9° |
| C16 | C15 | O04 | H29 | 53.3° | 60.0° |
| C05 | C06 | C07 | C08 | 28.2° | 23.7° |
| C05 | C06 | C07 | H06 | 119.1° | 119.3° |
| C05 | C06 | C07 | H07 | 119.1° | 119.2° |
| C06 | C05 | C04 | H03 | 161.4° | 95.2° |
| C06 | C05 | H05 | H04 | 124.0° | 121.5° |
| C05 | C06 | H06 | H07 | 122.6° | 121.4° |
| C05 | C06 | C07 | H09 | 90.9° | 142.3° |
| C05 | C06 | C07 | H08 | 147.3° | 95.2° |
| C08 | C07 | C06 | H09 | 119.1° | 118.7° |
| C08 | C07 | C06 | H08 | 119.1° | 118.9° |
| C07 | C08 | C04 | H03 | 145.1° | 80.8° |
| C08 | C07 | C06 | H06 | 90.9° | 95.6° |
| C08 | C07 | C06 | H07 | 147.4° | 142.9° |
| C08 | C07 | H09 | H08 | 122.7° | 122.7° |
| C07 | C08 | H10 | H11 | 120.9° | 123.4° |
| C07 | C06 | C05 | H05 | 164.3° | 119.2° |
| C07 | C06 | C05 | H04 | 72.8° | 119.2° |
| C07 | C06 | H06 | H07 | 122.5° | 121.4° |
| C06 | C07 | H09 | H08 | 122.7° | 122.6° |
| C06 | C07 | C08 | H10 | 120.1° | 156.2° |
| C06 | C07 | C08 | H11 | 119.3° | 80.3° |
| C16 | N03 | C20 | C17 | 116.3° | 123.8° |
| C16 | N03 | C20 | C19 | 172.6° | 177.6° |
| C16 | N03 | C17 | C18 | 174.1° | 177.6° |
| N03 | C16 | C15 | H01 | 150.5° | 58.6° |
| C16 | N03 | C17 | H19 | 53.1° | 62.5° |
| C16 | N03 | C17 | H20 | 65.0° | 57.6° |
| C16 | N03 | C20 | H26 | 66.5° | 57.6° |
| C16 | N03 | C20 | H25 | 51.7° | 62.4° |
| N03 | C16 | H18 | H17 | 113.8° | 120.0° |
| N03 | C20 | C19 | H26 | 120.9° | 120.0° |
| N03 | C20 | C19 | H25 | 120.9° | 120.0° |
| C20 | N03 | C17 | C18 | 55.5° | 58.5° |
| N03 | C20 | C19 | O03 | 42.4° | 56.8° |
| C20 | N03 | C17 | H19 | 65.5° | 61.3° |
| C20 | N03 | C17 | H20 | 176.4° | 178.6° |
| N03 | C20 | H26 | H25 | 117.1° | 120.1° |
| C20 | N03 | C16 | H18 | 9.0° | 44.4° |
| C20 | N03 | C16 | H17 | 125.3° | 164.4° |
| N03 | C20 | C19 | H24 | 78.7° | 63.1° |
| N03 | C20 | C19 | H23 | 163.5° | 176.7° |
| C17 | N03 | C20 | C19 | 56.3° | 58.6° |
| N03 | C17 | C18 | H19 | 121.0° | 119.8° |
| N03 | C17 | C18 | H20 | 121.0° | 120.0° |
| N03 | C17 | C18 | O03 | 40.5° | 56.8° |
| N03 | C17 | H19 | H20 | 117.0° | 120.1° |
| C17 | N03 | C20 | H26 | 177.2° | 178.5° |
| C17 | N03 | C20 | H25 | 64.6° | 61.4° |
| C17 | N03 | C16 | H18 | 105.1° | 79.3° |
| C17 | N03 | C16 | H17 | 11.1° | 40.7° |
| N03 | C17 | C18 | H22 | 161.6° | 176.7° |
| N03 | C17 | C18 | H21 | 80.7° | 63.1° |
| C20 | C19 | O03 | H24 | 121.1° | 119.9° |
| C20 | C19 | O03 | H23 | 121.1° | 120.0° |
| C20 | C19 | O03 | C18 | 21.9° | 58.6° |
| C19 | C20 | H26 | H25 | 117.2° | 120.1° |
| C20 | C19 | H24 | H23 | 116.5° | 120.2° |
| C17 | C18 | O03 | C19 | 21.0° | 58.6° |
| C17 | C18 | O03 | H22 | 121.1° | 120.0° |
| C17 | C18 | O03 | H21 | 121.1° | 120.0° |
| C18 | C17 | H19 | H20 | 117.0° | 120.1° |
| C17 | C18 | H22 | H21 | 116.5° | 120.1° |
| O03 | C19 | C20 | H26 | 163.3° | 176.8° |
| O03 | C19 | C20 | H25 | 78.5° | 63.2° |
| C19 | O03 | C18 | H22 | 142.1° | 178.6° |
| C19 | O03 | C18 | H21 | 100.1° | 61.4° |
| O03 | C19 | H24 | H23 | 116.4° | 120.0° |
| O03 | C18 | C17 | H19 | 80.5° | 63.1° |
| O03 | C18 | C17 | H20 | 161.4° | 176.8° |
| O03 | C18 | H22 | H21 | 116.5° | 120.0° |
| C18 | O03 | C19 | H24 | 99.2° | 61.3° |
| C18 | O03 | C19 | H23 | 143.1° | 178.6° |
| H01 | C15 | C14 | H16 | 24.2° | 175.0° |
| H01 | C15 | C14 | H15 | 142.3° | 65.0° |
| H01 | C15 | C16 | H18 | 87.7° | 61.4° |
| H01 | C15 | C16 | H17 | 28.6° | 178.7° |
| H01 | C15 | O04 | H29 | 62.2° | 180.0° |
| H19 | C17 | C18 | H22 | 40.6° | 56.9° |
| H19 | C17 | C18 | H21 | 158.3° | 177.0° |
| H20 | C17 | C18 | H22 | 77.5° | 63.2° |
| H20 | C17 | C18 | H21 | 40.3° | 56.9° |
| H26 | C20 | C19 | H24 | 42.2° | 56.9° |
| H26 | C20 | C19 | H23 | 75.6° | 63.3° |
| H25 | C20 | C19 | H24 | 160.4° | 176.9° |
| H25 | C20 | C19 | H23 | 42.6° | 56.8° |
| H27 | C21 | C22 | H28 | 1.7° | 0.2° |
| H03 | C04 | C05 | H05 | 80.0° | 145.6° |
| H03 | C04 | C05 | H04 | 42.8° | 24.1° |
| H03 | C04 | C08 | H10 | 25.3° | 37.5° |
| H03 | C04 | C08 | H11 | 95.2° | 160.9° |
| H05 | C05 | C06 | H06 | 45.2° | 0.1° |
| H05 | C05 | C06 | H07 | 76.5° | 121.5° |
| H04 | C05 | C06 | H06 | 168.1° | 121.4° |
| H04 | C05 | C06 | H07 | 46.3° | 0.0° |
| H06 | C06 | C07 | H09 | 150.0° | 23.0° |
| H06 | C06 | C07 | H08 | 28.2° | 145.5° |
| H07 | C06 | C07 | H09 | 28.3° | 98.5° |
| H07 | C06 | C07 | H08 | 93.6° | 24.0° |
| H09 | C07 | C08 | H10 | 1.0° | 85.1° |
| H09 | C07 | C08 | H11 | 121.6° | 38.4° |
| H08 | C07 | C08 | H10 | 120.8° | 37.4° |
| H08 | C07 | C08 | H11 | 0.2° | 160.9° |
| H13 | C11 | C12 | H14 | 0.1° | 0.0° |
