X80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.55Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C22 | C21 | sing | 1.55Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| F02 | C27 | sing | 1.35Å | 1.34Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C25 | sing | 1.54Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O04 | sing | 1.43Å | 1.43Å | |
| C27 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| O04 | C19 | sing | 1.36Å | 1.37Å | |
| O03 | C15 | doub | 1.22Å | 1.22Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | N03 | sing | 1.35Å | 1.39Å | |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | CL01 | sing | 1.74Å | 1.73Å | |
| N03 | S01 | sing | 1.66Å | 1.66Å | |
| F01 | C11 | sing | 1.35Å | 1.34Å | |
| S01 | O01 | doub | 1.42Å | 1.45Å | |
| S01 | C12 | sing | 1.76Å | 1.75Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.47Å | 1.51Å | |
| C09 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | N02 | sing | 1.40Å | 1.37Å | |
| N02 | C08 | sing | 1.47Å | 1.47Å | |
| C08 | C03 | sing | 1.53Å | 1.56Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| N01 | C03 | sing | 1.47Å | 1.55Å | |
| N01 | C01 | sing | 1.47Å | 1.50Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| N02 | H34 | sing | 0.97Å | 1.00Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 106.2° | 104.2° |
| C23 | C22 | C21 | 106.0° | 102.7° |
| C23 | C22 | H24 | 110.3° | 110.7° |
| C23 | C22 | H25 | 110.3° | 110.9° |
| C22 | C23 | H26 | 110.3° | 110.5° |
| C22 | C23 | H27 | 110.3° | 110.5° |
| C23 | C24 | C25 | 105.0° | 106.6° |
| C24 | C23 | H26 | 110.3° | 110.5° |
| C24 | C23 | H27 | 110.3° | 110.5° |
| C23 | C24 | H28 | 110.6° | 110.0° |
| C23 | C24 | H29 | 110.6° | 110.0° |
| C22 | C21 | C20 | 112.3° | 110.5° |
| C22 | C21 | C25 | 103.2° | 104.2° |
| C22 | C21 | H23 | 109.2° | 110.6° |
| C21 | C22 | H24 | 110.4° | 110.8° |
| C21 | C22 | H25 | 110.3° | 110.7° |
| C24 | C25 | C21 | 102.9° | 106.6° |
| C25 | C24 | H28 | 110.6° | 110.0° |
| C25 | C24 | H29 | 110.6° | 110.1° |
| C24 | C25 | H30 | 111.1° | 110.0° |
| C24 | C25 | H31 | 111.1° | 110.0° |
| F02 | C27 | C26 | 118.2° | 120.1° |
| F02 | C27 | C16 | 121.0° | 120.0° |
| C20 | C21 | C25 | 113.6° | 110.5° |
| C21 | C20 | O04 | 109.0° | 109.5° |
| C21 | C20 | H21 | 109.6° | 109.5° |
| C21 | C20 | H22 | 109.6° | 109.5° |
| C20 | C21 | H23 | 109.3° | 110.4° |
| C25 | C21 | H23 | 109.2° | 110.5° |
| C21 | C25 | H30 | 111.1° | 110.0° |
| C21 | C25 | H31 | 111.1° | 110.0° |
| C27 | C26 | C19 | 119.7° | 120.1° |
| C26 | C27 | C16 | 120.8° | 119.9° |
| C27 | C26 | H32 | 120.1° | 120.0° |
| C26 | C19 | O04 | 124.6° | 119.9° |
| C26 | C19 | C18 | 119.3° | 120.2° |
| C19 | C26 | H32 | 120.1° | 119.9° |
| C20 | O04 | C19 | 119.5° | 117.0° |
| O04 | C20 | H21 | 109.6° | 109.5° |
| O04 | C20 | H22 | 109.6° | 109.4° |
| C27 | C16 | C15 | 122.4° | 120.1° |
| C27 | C16 | C17 | 119.0° | 119.8° |
| O04 | C19 | C18 | 116.0° | 119.9° |
| O03 | C15 | C16 | 122.1° | 120.0° |
| O03 | C15 | N03 | 124.5° | 120.0° |
| C19 | C18 | C17 | 120.8° | 120.1° |
| C19 | C18 | CL01 | 121.1° | 119.9° |
| C15 | C16 | C17 | 118.5° | 120.1° |
| C16 | C15 | N03 | 113.4° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | H20 | 119.8° | 120.1° |
| C15 | N03 | S01 | 130.6° | 120.0° |
| C15 | N03 | H35 | 114.7° | 120.0° |
| O02 | S01 | N03 | 110.5° | 106.4° |
| O02 | S01 | O01 | 119.8° | 123.1° |
| O02 | S01 | C12 | 109.2° | 106.4° |
| C17 | C18 | CL01 | 118.1° | 120.0° |
| C18 | C17 | H20 | 119.8° | 120.0° |
| N03 | S01 | O01 | 106.6° | 106.4° |
| N03 | S01 | C12 | 101.2° | 107.2° |
| S01 | N03 | H35 | 114.6° | 120.0° |
| F01 | C11 | C12 | 121.7° | 120.0° |
| F01 | C11 | C10 | 117.9° | 120.0° |
| O01 | S01 | C12 | 107.9° | 106.4° |
| S01 | C12 | C11 | 123.1° | 119.9° |
| S01 | C12 | C13 | 116.6° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C11 | C10 | C09 | 120.6° | 119.9° |
| C11 | C10 | H2 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.1° |
| C12 | C13 | H3 | 120.4° | 119.9° |
| C10 | C09 | C14 | 118.2° | 119.9° |
| C10 | C09 | N02 | 124.6° | 120.0° |
| C09 | C10 | H2 | 119.7° | 120.1° |
| C13 | C14 | C09 | 121.4° | 120.0° |
| C13 | C14 | H1 | 119.3° | 120.0° |
| C14 | C13 | H3 | 120.3° | 120.0° |
| C02 | N01 | C03 | 113.1° | 111.0° |
| C02 | N01 | C01 | 109.7° | 111.0° |
| N01 | C02 | H7 | 109.5° | 109.5° |
| N01 | C02 | H8 | 109.5° | 109.5° |
| N01 | C02 | H9 | 109.4° | 109.4° |
| C14 | C09 | N02 | 117.2° | 120.1° |
| C09 | C14 | H1 | 119.3° | 120.0° |
| C09 | N02 | C08 | 126.8° | 120.0° |
| C09 | N02 | H34 | 105.0° | 120.1° |
| N02 | C08 | C03 | 111.2° | 109.5° |
| N02 | C08 | C07 | 107.5° | 109.4° |
| N02 | C08 | H19 | 109.6° | 109.5° |
| C08 | N02 | H34 | 105.0° | 119.9° |
| C03 | C08 | C07 | 111.3° | 109.5° |
| C08 | C03 | N01 | 112.4° | 109.4° |
| C08 | C03 | C04 | 108.3° | 109.5° |
| C08 | C03 | H10 | 108.1° | 109.5° |
| C03 | C08 | H19 | 108.5° | 109.5° |
| C08 | C07 | C06 | 112.9° | 109.4° |
| C08 | C07 | H17 | 108.6° | 109.5° |
| C08 | C07 | H18 | 108.6° | 109.4° |
| C07 | C08 | H19 | 108.7° | 109.4° |
| C03 | N01 | C01 | 113.1° | 111.0° |
| N01 | C03 | C04 | 111.3° | 109.5° |
| N01 | C03 | H10 | 108.3° | 109.4° |
| N01 | C01 | H4 | 109.5° | 109.5° |
| N01 | C01 | H5 | 109.5° | 109.5° |
| N01 | C01 | H6 | 109.5° | 109.5° |
| C03 | C04 | C05 | 112.8° | 109.5° |
| C04 | C03 | H10 | 108.3° | 109.5° |
| C03 | C04 | H11 | 108.7° | 109.4° |
| C03 | C04 | H12 | 108.6° | 109.5° |
| C07 | C06 | C05 | 112.6° | 109.5° |
| C07 | C06 | H15 | 108.7° | 109.5° |
| C07 | C06 | H16 | 108.7° | 109.5° |
| C06 | C07 | H17 | 108.6° | 109.5° |
| C06 | C07 | H18 | 108.6° | 109.5° |
| C04 | C05 | C06 | 112.0° | 109.4° |
| C05 | C04 | H11 | 108.6° | 109.4° |
| C05 | C04 | H12 | 108.7° | 109.5° |
| C04 | C05 | H13 | 108.8° | 109.5° |
| C04 | C05 | H14 | 108.8° | 109.4° |
| C06 | C05 | H13 | 108.8° | 109.5° |
| C06 | C05 | H14 | 108.8° | 109.5° |
| C05 | C06 | H15 | 108.7° | 109.4° |
| C05 | C06 | H16 | 108.7° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H7 | C02 | H9 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.4° |
| H24 | C22 | H25 | 109.5° | 110.7° |
| H26 | C23 | H27 | 109.5° | 110.5° |
| H28 | C24 | H29 | 109.5° | 110.1° |
| H30 | C25 | H31 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H26 | 119.5° | 118.7° |
| C22 | C23 | C24 | H27 | 119.5° | 118.7° |
| C23 | C22 | C21 | H24 | 119.5° | 118.3° |
| C23 | C22 | C21 | H25 | 119.5° | 118.5° |
| C22 | C23 | C24 | C25 | 18.5° | 23.6° |
| C23 | C22 | C21 | C20 | 152.1° | 156.6° |
| C23 | C22 | C21 | C25 | 29.4° | 37.9° |
| C23 | C22 | C21 | H23 | 86.6° | 80.8° |
| C23 | C22 | H24 | H25 | 121.6° | 123.5° |
| C22 | C23 | H26 | H27 | 121.5° | 122.6° |
| C22 | C23 | C24 | H28 | 100.8° | 142.9° |
| C22 | C23 | C24 | H29 | 137.8° | 95.7° |
| C24 | C23 | C22 | C21 | 6.9° | 37.9° |
| C23 | C24 | C25 | H28 | 119.3° | 119.3° |
| C23 | C24 | C25 | H29 | 119.3° | 119.3° |
| C23 | C24 | C25 | C21 | 36.7° | 0.0° |
| C24 | C23 | C22 | H24 | 112.6° | 156.3° |
| C24 | C23 | C22 | H25 | 126.3° | 80.4° |
| C24 | C23 | H26 | H27 | 121.5° | 122.6° |
| C23 | C24 | H28 | H29 | 122.1° | 121.4° |
| C23 | C24 | C25 | H30 | 155.7° | 119.3° |
| C23 | C24 | C25 | H31 | 82.2° | 119.3° |
| C22 | C21 | C25 | C24 | 40.7° | 23.6° |
| C22 | C21 | C20 | C25 | 116.6° | 114.8° |
| C22 | C21 | C20 | H23 | 121.3° | 122.7° |
| C22 | C21 | C25 | H23 | 116.0° | 118.8° |
| C22 | C21 | C20 | O04 | 179.5° | 70.2° |
| C22 | C21 | C20 | H21 | 59.6° | 169.8° |
| C22 | C21 | C20 | H22 | 60.6° | 49.8° |
| C21 | C22 | H24 | H25 | 121.6° | 123.2° |
| C21 | C22 | C23 | H26 | 112.6° | 80.8° |
| C21 | C22 | C23 | H27 | 126.3° | 156.6° |
| C22 | C21 | C25 | H30 | 159.6° | 95.7° |
| C22 | C21 | C25 | H31 | 78.3° | 142.9° |
| C24 | C25 | C21 | C20 | 162.5° | 142.3° |
| C24 | C25 | C21 | H30 | 118.9° | 119.3° |
| C24 | C25 | C21 | H31 | 119.0° | 119.3° |
| C24 | C25 | C21 | H23 | 75.3° | 95.2° |
| C25 | C24 | C23 | H26 | 138.0° | 95.1° |
| C25 | C24 | C23 | H27 | 101.0° | 142.3° |
| C25 | C24 | H28 | H29 | 122.1° | 121.5° |
| C24 | C25 | H30 | H31 | 123.0° | 121.4° |
| F02 | C27 | C26 | C16 | 179.2° | 179.3° |
| F02 | C27 | C26 | C19 | 178.9° | 180.0° |
| F02 | C27 | C16 | C15 | 2.6° | 0.4° |
| F02 | C27 | C16 | C17 | 179.0° | 180.0° |
| F02 | C27 | C26 | H32 | 1.1° | 0.6° |
| C20 | C21 | C25 | H23 | 122.2° | 122.5° |
| C21 | C20 | O04 | H21 | 119.9° | 120.1° |
| C21 | C20 | O04 | H22 | 119.9° | 120.0° |
| C21 | C20 | O04 | C19 | 125.1° | 180.0° |
| C21 | C20 | H21 | H22 | 120.2° | 120.0° |
| C20 | C21 | C22 | H24 | 32.6° | 85.1° |
| C20 | C21 | C22 | H25 | 88.5° | 38.1° |
| C20 | C21 | C25 | H30 | 78.6° | 23.0° |
| C20 | C21 | C25 | H31 | 43.5° | 98.4° |
| C25 | C21 | C20 | O04 | 63.0° | 175.0° |
| C25 | C21 | C20 | H21 | 57.0° | 55.0° |
| C25 | C21 | C20 | H22 | 177.1° | 65.0° |
| C25 | C21 | C22 | H24 | 90.1° | 156.2° |
| C25 | C21 | C22 | H25 | 148.9° | 80.5° |
| C21 | C25 | C24 | H28 | 82.6° | 119.3° |
| C21 | C25 | C24 | H29 | 156.0° | 119.3° |
| C21 | C25 | H30 | H31 | 123.1° | 121.4° |
| C27 | C26 | C19 | H32 | 180.0° | 179.4° |
| C27 | C26 | C19 | O04 | 178.1° | 179.7° |
| C27 | C26 | C19 | C18 | 2.0° | 0.3° |
| C26 | C27 | C16 | C15 | 178.1° | 179.7° |
| C26 | C27 | C16 | C17 | 1.8° | 0.7° |
| C26 | C19 | O04 | C20 | 51.6° | 0.0° |
| C19 | C26 | C27 | C16 | 0.3° | 0.6° |
| C26 | C19 | O04 | C18 | 176.3° | 180.0° |
| C26 | C19 | C18 | C17 | 1.5° | 0.0° |
| C26 | C19 | C18 | CL01 | 179.0° | 180.0° |
| C20 | O04 | C19 | C18 | 132.2° | 180.0° |
| O04 | C20 | H21 | H22 | 120.2° | 120.0° |
| O04 | C20 | C21 | H23 | 59.2° | 52.5° |
| C27 | C16 | C15 | O03 | 31.0° | 0.4° |
| C27 | C16 | C15 | C17 | 176.3° | 179.6° |
| C27 | C16 | C15 | N03 | 147.7° | 179.7° |
| C27 | C16 | C17 | C18 | 2.3° | 0.4° |
| C27 | C16 | C17 | H20 | 177.6° | 179.7° |
| C16 | C27 | C26 | H32 | 179.7° | 179.9° |
| O04 | C19 | C18 | C17 | 177.9° | 180.0° |
| O04 | C19 | C18 | CL01 | 2.5° | 0.0° |
| C19 | O04 | C20 | H21 | 115.0° | 60.0° |
| C19 | O04 | C20 | H22 | 5.2° | 60.0° |
| O04 | C19 | C26 | H32 | 1.9° | 0.3° |
| O03 | C15 | C16 | N03 | 178.6° | 180.0° |
| O03 | C15 | C16 | C17 | 145.4° | 180.0° |
| O03 | C15 | N03 | S01 | 4.5° | 5.3° |
| O03 | C15 | N03 | H35 | 175.4° | 174.7° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C19 | C18 | C17 | CL01 | 179.5° | 180.0° |
| C19 | C18 | C17 | H20 | 179.3° | 180.0° |
| C18 | C19 | C26 | H32 | 178.0° | 179.7° |
| C15 | C16 | C17 | C18 | 178.8° | 180.0° |
| C16 | C15 | N03 | S01 | 176.9° | 174.8° |
| C15 | C16 | C17 | H20 | 1.2° | 0.1° |
| C16 | C15 | N03 | H35 | 3.2° | 5.2° |
| C17 | C16 | C15 | N03 | 36.0° | 0.1° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C16 | C17 | C18 | CL01 | 178.8° | 179.9° |
| C15 | N03 | S01 | O02 | 29.2° | 178.1° |
| C15 | N03 | S01 | H35 | 180.0° | 180.0° |
| C15 | N03 | S01 | O01 | 161.0° | 49.0° |
| C15 | N03 | S01 | C12 | 86.3° | 64.5° |
| O02 | S01 | N03 | O01 | 131.7° | 132.9° |
| O02 | S01 | N03 | C12 | 115.6° | 113.5° |
| O02 | S01 | O01 | C12 | 125.7° | 122.9° |
| O02 | S01 | C12 | C11 | 29.9° | 49.0° |
| O02 | S01 | C12 | C13 | 155.5° | 131.2° |
| O02 | S01 | N03 | H35 | 150.7° | 2.0° |
| CL01 | C18 | C17 | H20 | 1.2° | 0.0° |
| N03 | S01 | O01 | C12 | 108.0° | 114.1° |
| N03 | S01 | C12 | C11 | 86.6° | 64.6° |
| N03 | S01 | C12 | C13 | 88.0° | 115.3° |
| F01 | C11 | C12 | S01 | 5.8° | 0.2° |
| F01 | C11 | C12 | C10 | 174.9° | 179.8° |
| F01 | C11 | C12 | C13 | 179.8° | 180.0° |
| F01 | C11 | C10 | C09 | 178.6° | 179.9° |
| F01 | C11 | C10 | H2 | 1.4° | 0.3° |
| O01 | S01 | C12 | C11 | 161.6° | 178.2° |
| O01 | S01 | C12 | C13 | 23.7° | 1.7° |
| O01 | S01 | N03 | H35 | 19.0° | 130.9° |
| S01 | C12 | C11 | C13 | 174.4° | 179.8° |
| S01 | C12 | C11 | C10 | 179.3° | 180.0° |
| S01 | C12 | C13 | C14 | 178.8° | 179.7° |
| S01 | C12 | C13 | H3 | 1.2° | 0.2° |
| C12 | S01 | N03 | H35 | 93.7° | 115.5° |
| C12 | C11 | C10 | C09 | 3.5° | 0.3° |
| C11 | C12 | C13 | C14 | 4.0° | 0.1° |
| C12 | C11 | C10 | H2 | 176.5° | 179.9° |
| C11 | C12 | C13 | H3 | 176.0° | 180.0° |
| C10 | C11 | C12 | C13 | 4.9° | 0.2° |
| C11 | C10 | C09 | H2 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 1.2° | 0.0° |
| C11 | C10 | C09 | N02 | 179.3° | 180.0° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 1.7° | 0.3° |
| C12 | C13 | C14 | H1 | 178.3° | 180.0° |
| C10 | C09 | C14 | C13 | 0.3° | 0.2° |
| C10 | C09 | C14 | N02 | 179.5° | 180.0° |
| C10 | C09 | N02 | C08 | 50.1° | 179.9° |
| C10 | C09 | C14 | H1 | 179.6° | 179.9° |
| C10 | C09 | N02 | H34 | 172.4° | 0.0° |
| C13 | C14 | C09 | H1 | 180.0° | 179.7° |
| C13 | C14 | C09 | N02 | 179.8° | 179.7° |
| C02 | N01 | C03 | C08 | 54.1° | 170.0° |
| C02 | N01 | C03 | C01 | 125.4° | 124.0° |
| C02 | N01 | C03 | C04 | 175.8° | 70.0° |
| C02 | N01 | C01 | H4 | 180.0° | 56.1° |
| C02 | N01 | C01 | H5 | 60.0° | 176.1° |
| C02 | N01 | C01 | H6 | 60.0° | 64.0° |
| N01 | C02 | H7 | H8 | 120.0° | 120.1° |
| N01 | C02 | H7 | H9 | 120.0° | 120.0° |
| N01 | C02 | H8 | H9 | 120.0° | 119.9° |
| C02 | N01 | C03 | H10 | 65.3° | 50.0° |
| C14 | C09 | N02 | C08 | 130.4° | 0.0° |
| C14 | C09 | C10 | H2 | 178.8° | 179.7° |
| C09 | C14 | C13 | H3 | 178.3° | 179.7° |
| C14 | C09 | N02 | H34 | 8.1° | 180.0° |
| C09 | N02 | C08 | H34 | 122.3° | 180.0° |
| C09 | N02 | C08 | C03 | 110.5° | 155.0° |
| C09 | N02 | C08 | C07 | 127.4° | 85.0° |
| N02 | C09 | C14 | H1 | 0.1° | 0.1° |
| N02 | C09 | C10 | H2 | 0.7° | 0.3° |
| C09 | N02 | C08 | H19 | 9.4° | 34.9° |
| N02 | C08 | C03 | C07 | 119.8° | 120.0° |
| N02 | C08 | C03 | H19 | 120.7° | 120.0° |
| N02 | C08 | C07 | H19 | 118.6° | 120.0° |
| N02 | C08 | C03 | N01 | 173.1° | 60.0° |
| N02 | C08 | C03 | C04 | 63.5° | 180.0° |
| N02 | C08 | C07 | C06 | 67.9° | 180.0° |
| N02 | C08 | C03 | H10 | 53.6° | 60.0° |
| N02 | C08 | C07 | H17 | 171.6° | 60.0° |
| N02 | C08 | C07 | H18 | 52.6° | 60.0° |
| C03 | C08 | C07 | H19 | 119.4° | 120.0° |
| C08 | C03 | N01 | C04 | 121.7° | 120.0° |
| C08 | C03 | N01 | H10 | 119.3° | 120.0° |
| C08 | C03 | N01 | C01 | 179.5° | 66.1° |
| C08 | C03 | C04 | H10 | 117.0° | 120.0° |
| C03 | C08 | C07 | C06 | 54.1° | 60.0° |
| C08 | C03 | C04 | C05 | 57.6° | 60.1° |
| C08 | C03 | C04 | H11 | 62.9° | 180.0° |
| C08 | C03 | C04 | H12 | 178.1° | 60.0° |
| C03 | C08 | C07 | H17 | 66.4° | 60.0° |
| C03 | C08 | C07 | H18 | 174.6° | 179.9° |
| C03 | C08 | N02 | H34 | 127.2° | 25.0° |
| C07 | C08 | C03 | N01 | 67.1° | 180.0° |
| C07 | C08 | C03 | C04 | 56.3° | 60.0° |
| C08 | C07 | C06 | H17 | 120.5° | 120.0° |
| C08 | C07 | C06 | H18 | 120.5° | 119.9° |
| C08 | C07 | C06 | C05 | 50.5° | 60.0° |
| C07 | C08 | C03 | H10 | 173.4° | 60.0° |
| C08 | C07 | C06 | H15 | 171.0° | 180.0° |
| C08 | C07 | C06 | H16 | 70.0° | 60.0° |
| C08 | C07 | H17 | H18 | 118.4° | 120.0° |
| C07 | C08 | N02 | H34 | 5.1° | 95.0° |
| N01 | C03 | C04 | H10 | 118.9° | 120.0° |
| N01 | C03 | C04 | C05 | 66.4° | 180.0° |
| C03 | N01 | C01 | H4 | 52.8° | 180.0° |
| C03 | N01 | C01 | H5 | 67.2° | 60.0° |
| C03 | N01 | C01 | H6 | 172.8° | 60.0° |
| C03 | N01 | C02 | H7 | 180.0° | 60.0° |
| C03 | N01 | C02 | H8 | 60.0° | 179.9° |
| C03 | N01 | C02 | H9 | 60.0° | 60.0° |
| N01 | C03 | C04 | H11 | 173.1° | 60.0° |
| N01 | C03 | C04 | H12 | 54.1° | 60.0° |
| N01 | C03 | C08 | H19 | 52.4° | 60.1° |
| C01 | N01 | C03 | C04 | 58.8° | 53.9° |
| N01 | C01 | H4 | H5 | 120.0° | 120.0° |
| N01 | C01 | H4 | H6 | 120.0° | 120.0° |
| N01 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N01 | C02 | H7 | 52.8° | 176.1° |
| C01 | N01 | C02 | H8 | 67.2° | 56.0° |
| C01 | N01 | C02 | H9 | 172.8° | 63.9° |
| C01 | N01 | C03 | H10 | 60.1° | 174.0° |
| C03 | C04 | C05 | H11 | 120.5° | 119.9° |
| C03 | C04 | C05 | H12 | 120.5° | 120.1° |
| C03 | C04 | C05 | C06 | 55.4° | 60.1° |
| C03 | C04 | H11 | H12 | 118.5° | 120.0° |
| C03 | C04 | C05 | H13 | 175.8° | 59.9° |
| C03 | C04 | C05 | H14 | 65.0° | 180.0° |
| C04 | C03 | C08 | H19 | 175.8° | 60.0° |
| C07 | C06 | C05 | C04 | 50.5° | 60.1° |
| C07 | C06 | C05 | H15 | 120.5° | 120.0° |
| C07 | C06 | C05 | H16 | 120.5° | 120.0° |
| C07 | C06 | C05 | H13 | 170.9° | 60.0° |
| C07 | C06 | C05 | H14 | 69.9° | 180.0° |
| C07 | C06 | H15 | H16 | 118.5° | 120.0° |
| C06 | C07 | H17 | H18 | 118.4° | 120.0° |
| C06 | C07 | C08 | H19 | 173.5° | 60.0° |
| C04 | C05 | C06 | H13 | 120.4° | 120.0° |
| C04 | C05 | C06 | H14 | 120.4° | 119.9° |
| C05 | C04 | C03 | H10 | 174.6° | 60.0° |
| C05 | C04 | H11 | H12 | 118.5° | 120.0° |
| C04 | C05 | H13 | H14 | 118.8° | 120.0° |
| C04 | C05 | C06 | H15 | 170.9° | 180.0° |
| C04 | C05 | C06 | H16 | 70.0° | 59.9° |
| C06 | C05 | C04 | H11 | 65.1° | 180.0° |
| C06 | C05 | C04 | H12 | 175.9° | 60.0° |
| C06 | C05 | H13 | H14 | 118.8° | 120.0° |
| C05 | C06 | H15 | H16 | 118.6° | 120.0° |
| C05 | C06 | C07 | H17 | 70.0° | 59.9° |
| C05 | C06 | C07 | H18 | 171.0° | 180.0° |
| H1 | C14 | C13 | H3 | 1.7° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C02 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 54.1° | 60.0° |
| H10 | C03 | C04 | H12 | 64.9° | 180.0° |
| H10 | C03 | C08 | H19 | 67.0° | 180.0° |
| H11 | C04 | C05 | H13 | 55.3° | 60.0° |
| H11 | C04 | C05 | H14 | 174.5° | 60.1° |
| H12 | C04 | C05 | H13 | 63.7° | 180.0° |
| H12 | C04 | C05 | H14 | 55.5° | 59.9° |
| H13 | C05 | C06 | H15 | 68.7° | 60.0° |
| H13 | C05 | C06 | H16 | 50.4° | 180.0° |
| H14 | C05 | C06 | H15 | 50.6° | 60.0° |
| H14 | C05 | C06 | H16 | 169.6° | 60.0° |
| H15 | C06 | C07 | H17 | 50.5° | 60.0° |
| H15 | C06 | C07 | H18 | 68.5° | 60.1° |
| H16 | C06 | C07 | H17 | 169.5° | 179.9° |
| H16 | C06 | C07 | H18 | 50.5° | 60.0° |
| H17 | C07 | C08 | H19 | 53.0° | 180.0° |
| H18 | C07 | C08 | H19 | 66.0° | 59.9° |
| H19 | C08 | N02 | H34 | 112.9° | 145.0° |
| H21 | C20 | C21 | H23 | 179.1° | 67.6° |
| H22 | C20 | C21 | H23 | 60.7° | 172.4° |
| H23 | C21 | C22 | H24 | 153.9° | 37.5° |
| H23 | C21 | C22 | H25 | 32.8° | 160.7° |
| H23 | C21 | C25 | H30 | 43.6° | 145.5° |
| H23 | C21 | C25 | H31 | 165.8° | 24.1° |
| H24 | C22 | C23 | H26 | 127.9° | 37.6° |
| H24 | C22 | C23 | H27 | 6.8° | 85.1° |
| H25 | C22 | C23 | H26 | 6.8° | 160.9° |
| H25 | C22 | C23 | H27 | 114.2° | 38.3° |
| H26 | C23 | C24 | H28 | 18.7° | 24.2° |
| H26 | C23 | C24 | H29 | 102.7° | 145.6° |
| H27 | C23 | C24 | H28 | 139.7° | 98.4° |
| H27 | C23 | C24 | H29 | 18.3° | 23.0° |
| H28 | C24 | C25 | H30 | 36.4° | 121.5° |
| H28 | C24 | C25 | H31 | 158.5° | 0.0° |
| H29 | C24 | C25 | H30 | 85.0° | 0.0° |
| H29 | C24 | C25 | H31 | 37.1° | 121.4° |
