0UP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C8 | sing | 1.51Å | 1.50Å | |
| C23 | N27 | sing | 1.47Å | 1.52Å | |
| C24 | C21 | sing | 1.53Å | 1.52Å | |
| C24 | O31 | sing | 1.43Å | 1.44Å | |
| C8 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O31 | sing | 1.36Å | 1.39Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| N27 | C16 | sing | 1.47Å | 1.48Å | |
| N27 | C17 | sing | 1.47Å | 1.50Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C4 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O30 | sing | 1.36Å | 1.39Å | |
| C16 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C18 | sing | 1.53Å | 1.51Å | |
| C14 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | N25 | sing | 1.47Å | 1.49Å | |
| C15 | N26 | sing | 1.47Å | 1.48Å | |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N25 | sing | 1.40Å | 1.43Å | |
| C9 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| N25 | S33 | sing | 1.67Å | 1.71Å | |
| C5 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | F32 | sing | 1.35Å | 1.35Å | |
| N26 | S33 | sing | 1.67Å | 1.69Å | |
| N26 | C22 | sing | 1.47Å | 1.48Å | |
| S33 | O28 | doub | 1.42Å | 1.45Å | |
| S33 | O29 | doub | 1.42Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| O30 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C24 | C21 | 109.1° | 109.5° |
| C20 | C24 | O31 | 111.5° | 109.5° |
| C24 | C20 | H20 | 109.5° | 109.5° |
| C24 | C20 | H21 | 109.5° | 109.5° |
| C24 | C20 | H22 | 109.5° | 109.5° |
| C20 | C24 | H31 | 110.0° | 109.5° |
| C8 | C23 | N27 | 112.7° | 109.5° |
| C23 | C8 | C6 | 118.8° | 119.9° |
| C23 | C8 | C2 | 121.7° | 119.9° |
| C8 | C23 | H29 | 108.7° | 109.4° |
| C8 | C23 | H30 | 108.7° | 109.5° |
| C23 | N27 | C16 | 113.1° | 111.0° |
| C23 | N27 | C17 | 113.3° | 111.0° |
| N27 | C23 | H29 | 108.7° | 109.5° |
| N27 | C23 | H30 | 108.6° | 109.5° |
| C21 | C24 | O31 | 105.0° | 109.5° |
| C24 | C21 | H23 | 109.5° | 109.5° |
| C24 | C21 | H24 | 109.5° | 109.5° |
| C24 | C21 | H25 | 109.5° | 109.4° |
| C21 | C24 | H31 | 110.0° | 109.5° |
| C24 | O31 | C11 | 115.1° | 117.0° |
| O31 | C24 | H31 | 111.2° | 109.5° |
| C6 | C8 | C2 | 119.4° | 120.2° |
| C8 | C6 | C11 | 119.8° | 120.0° |
| C8 | C6 | H6 | 120.1° | 120.0° |
| C8 | C2 | C4 | 121.2° | 120.1° |
| C8 | C2 | H2 | 119.4° | 120.0° |
| C6 | C11 | O31 | 123.9° | 120.1° |
| C6 | C11 | C10 | 120.3° | 119.9° |
| C11 | C6 | H6 | 120.1° | 120.0° |
| C2 | C4 | C10 | 118.7° | 120.0° |
| C4 | C2 | H2 | 119.4° | 119.9° |
| C2 | C4 | H4 | 120.6° | 120.0° |
| O31 | C11 | C10 | 115.7° | 120.1° |
| C11 | C10 | C4 | 120.5° | 119.8° |
| C11 | C10 | O30 | 117.6° | 120.1° |
| C16 | N27 | C17 | 111.5° | 111.2° |
| N27 | C16 | C13 | 109.4° | 109.6° |
| N27 | C16 | H14 | 109.5° | 109.5° |
| N27 | C16 | H15 | 109.5° | 109.4° |
| N27 | C17 | C19 | 107.6° | 109.4° |
| N27 | C17 | C14 | 113.3° | 109.5° |
| N27 | C17 | H16 | 109.8° | 109.4° |
| C19 | C17 | C14 | 106.8° | 109.5° |
| C19 | C17 | H16 | 109.6° | 109.5° |
| C17 | C19 | H17 | 109.5° | 109.4° |
| C17 | C19 | H18 | 109.4° | 109.5° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| C4 | C10 | O30 | 121.8° | 120.1° |
| C10 | C4 | H4 | 120.7° | 120.0° |
| C10 | O30 | H33 | 109.5° | 114.0° |
| C16 | C13 | C18 | 113.2° | 109.2° |
| C16 | C13 | H8 | 108.5° | 109.5° |
| C16 | C13 | H9 | 108.6° | 109.6° |
| C13 | C16 | H14 | 109.5° | 109.5° |
| C13 | C16 | H15 | 109.5° | 109.5° |
| C17 | C14 | C18 | 112.7° | 109.2° |
| C17 | C14 | H10 | 108.7° | 109.5° |
| C17 | C14 | H11 | 108.7° | 109.6° |
| C14 | C17 | H16 | 109.6° | 109.5° |
| C13 | C18 | C14 | 110.2° | 109.1° |
| C13 | C18 | C15 | 108.4° | 109.5° |
| C13 | C18 | N25 | 111.1° | 109.0° |
| C18 | C13 | H8 | 108.6° | 109.5° |
| C18 | C13 | H9 | 108.5° | 109.5° |
| C14 | C18 | C15 | 106.8° | 109.4° |
| C14 | C18 | N25 | 115.5° | 109.0° |
| C18 | C14 | H10 | 108.7° | 109.5° |
| C18 | C14 | H11 | 108.7° | 109.5° |
| C15 | C18 | N25 | 104.5° | 110.8° |
| C18 | C15 | N26 | 107.8° | 109.5° |
| C18 | C15 | H12 | 109.9° | 109.5° |
| C18 | C15 | H13 | 109.9° | 109.4° |
| C18 | N25 | C9 | 130.7° | 127.1° |
| C18 | N25 | S33 | 113.8° | 105.8° |
| C15 | N26 | S33 | 110.6° | 103.5° |
| C15 | N26 | C22 | 114.5° | 128.3° |
| N26 | C15 | H12 | 109.9° | 109.5° |
| N26 | C15 | H13 | 109.9° | 109.4° |
| C1 | C3 | C9 | 120.8° | 120.0° |
| C3 | C1 | C5 | 119.7° | 120.1° |
| C3 | C1 | H1 | 120.2° | 120.0° |
| C1 | C3 | H3 | 119.6° | 120.0° |
| C3 | C9 | N25 | 117.9° | 120.1° |
| C3 | C9 | C7 | 119.8° | 119.9° |
| C9 | C3 | H3 | 119.6° | 120.0° |
| C1 | C5 | C12 | 119.5° | 120.1° |
| C5 | C1 | H1 | 120.2° | 119.9° |
| C1 | C5 | H5 | 120.3° | 119.9° |
| N25 | C9 | C7 | 121.8° | 120.1° |
| C9 | N25 | S33 | 115.1° | 127.2° |
| C9 | C7 | C12 | 118.9° | 119.9° |
| C9 | C7 | H7 | 120.6° | 120.0° |
| N25 | S33 | N26 | 93.1° | 101.8° |
| N25 | S33 | O28 | 107.6° | 107.2° |
| N25 | S33 | O29 | 111.7° | 107.3° |
| C5 | C12 | C7 | 121.2° | 120.0° |
| C5 | C12 | F32 | 118.9° | 120.0° |
| C12 | C5 | H5 | 120.3° | 119.9° |
| C7 | C12 | F32 | 119.9° | 120.0° |
| C12 | C7 | H7 | 120.5° | 120.1° |
| S33 | N26 | C22 | 117.6° | 128.3° |
| N26 | S33 | O28 | 111.1° | 107.2° |
| N26 | S33 | O29 | 109.6° | 107.3° |
| N26 | C22 | H26 | 109.5° | 109.5° |
| N26 | C22 | H27 | 109.5° | 109.5° |
| N26 | C22 | H28 | 109.4° | 109.5° |
| O28 | S33 | O29 | 120.4° | 124.0° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C24 | C21 | O31 | 119.6° | 120.0° |
| C20 | C24 | C21 | H31 | 120.7° | 120.0° |
| C20 | C24 | O31 | H31 | 123.1° | 120.0° |
| C20 | C24 | O31 | C11 | 77.7° | 84.1° |
| C24 | C20 | H20 | H21 | 120.0° | 120.0° |
| C24 | C20 | H20 | H22 | 120.0° | 120.0° |
| C24 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C24 | C21 | H23 | 180.0° | 60.0° |
| C20 | C24 | C21 | H24 | 60.0° | 180.0° |
| C20 | C24 | C21 | H25 | 60.0° | 60.0° |
| C8 | C23 | N27 | H29 | 120.5° | 120.0° |
| C8 | C23 | N27 | H30 | 120.5° | 120.0° |
| C23 | C8 | C6 | C2 | 178.7° | 180.0° |
| C23 | C8 | C6 | C11 | 178.1° | 179.5° |
| C23 | C8 | C2 | C4 | 176.0° | 180.0° |
| C8 | C23 | N27 | C16 | 60.8° | 69.5° |
| C8 | C23 | N27 | C17 | 67.3° | 166.3° |
| C23 | C8 | C2 | H2 | 4.0° | 0.3° |
| C23 | C8 | C6 | H6 | 1.9° | 0.6° |
| C8 | C23 | H29 | H30 | 118.5° | 120.0° |
| N27 | C23 | C8 | C6 | 91.0° | 90.0° |
| N27 | C23 | C8 | C2 | 87.7° | 90.0° |
| C23 | N27 | C16 | C17 | 129.1° | 124.2° |
| C23 | N27 | C17 | C19 | 59.8° | 54.1° |
| C23 | N27 | C16 | C13 | 174.9° | 174.1° |
| C23 | N27 | C17 | C14 | 177.6° | 174.1° |
| C23 | N27 | C16 | H14 | 54.9° | 65.8° |
| C23 | N27 | C16 | H15 | 65.1° | 54.1° |
| C23 | N27 | C17 | H16 | 59.4° | 65.8° |
| N27 | C23 | H29 | H30 | 118.5° | 120.0° |
| C21 | C24 | O31 | H31 | 118.9° | 120.0° |
| C21 | C24 | O31 | C11 | 164.4° | 156.0° |
| C21 | C24 | C20 | H20 | 180.0° | 180.0° |
| C21 | C24 | C20 | H21 | 60.0° | 60.0° |
| C21 | C24 | C20 | H22 | 60.0° | 60.1° |
| C24 | C21 | H23 | H24 | 120.0° | 120.0° |
| C24 | C21 | H23 | H25 | 120.0° | 120.0° |
| C24 | C21 | H24 | H25 | 120.0° | 120.0° |
| C24 | O31 | C11 | C6 | 15.2° | 5.5° |
| C24 | O31 | C11 | C10 | 167.1° | 173.6° |
| O31 | C24 | C20 | H20 | 64.5° | 60.0° |
| O31 | C24 | C20 | H21 | 55.5° | 60.0° |
| O31 | C24 | C20 | H22 | 175.5° | 180.0° |
| O31 | C24 | C21 | H23 | 60.4° | 60.0° |
| O31 | C24 | C21 | H24 | 179.6° | 60.0° |
| O31 | C24 | C21 | H25 | 59.6° | 180.0° |
| C8 | C6 | C11 | H6 | 180.0° | 179.9° |
| C6 | C8 | C2 | C4 | 2.6° | 0.1° |
| C8 | C6 | C11 | O31 | 179.6° | 180.0° |
| C8 | C6 | C11 | C10 | 2.1° | 0.8° |
| C6 | C8 | C2 | H2 | 177.4° | 179.7° |
| C6 | C8 | C23 | H29 | 148.5° | 150.0° |
| C6 | C8 | C23 | H30 | 29.5° | 30.0° |
| C2 | C8 | C6 | C11 | 0.6° | 0.5° |
| C8 | C2 | C4 | H2 | 180.0° | 179.7° |
| C8 | C2 | C4 | C10 | 1.9° | 0.3° |
| C8 | C2 | C4 | H4 | 178.1° | 179.8° |
| C2 | C8 | C6 | H6 | 179.4° | 179.4° |
| C2 | C8 | C23 | H29 | 32.8° | 30.0° |
| C2 | C8 | C23 | H30 | 151.9° | 150.0° |
| C6 | C11 | O31 | C10 | 177.6° | 179.1° |
| C6 | C11 | C10 | C4 | 2.9° | 0.6° |
| C6 | C11 | C10 | O30 | 179.7° | 179.5° |
| C2 | C4 | C10 | C11 | 0.9° | 0.0° |
| C2 | C4 | C10 | H4 | 180.0° | 179.9° |
| C2 | C4 | C10 | O30 | 178.2° | 179.9° |
| O31 | C11 | C10 | C4 | 179.4° | 179.7° |
| O31 | C11 | C10 | O30 | 2.0° | 0.4° |
| O31 | C11 | C6 | H6 | 0.3° | 0.1° |
| C11 | O31 | C24 | H31 | 45.4° | 36.0° |
| C11 | C10 | C4 | O30 | 177.3° | 179.9° |
| C11 | C10 | C4 | H4 | 179.1° | 179.9° |
| C10 | C11 | C6 | H6 | 177.9° | 179.1° |
| C11 | C10 | O30 | H33 | 180.0° | 90.1° |
| C16 | N27 | C17 | C19 | 171.2° | 178.2° |
| N27 | C16 | C13 | H14 | 120.0° | 120.0° |
| N27 | C16 | C13 | H15 | 120.0° | 120.0° |
| C16 | N27 | C17 | C14 | 53.4° | 61.7° |
| N27 | C16 | C13 | C18 | 58.4° | 59.3° |
| N27 | C16 | C13 | H8 | 62.1° | 60.6° |
| N27 | C16 | C13 | H9 | 179.0° | 179.2° |
| N27 | C16 | H14 | H15 | 120.0° | 119.9° |
| C16 | N27 | C17 | H16 | 69.5° | 58.3° |
| C16 | N27 | C23 | H29 | 178.7° | 50.5° |
| C16 | N27 | C23 | H30 | 59.7° | 170.5° |
| N27 | C17 | C19 | C14 | 122.0° | 120.1° |
| N27 | C17 | C19 | H16 | 119.3° | 119.9° |
| C17 | N27 | C16 | C13 | 56.0° | 61.7° |
| N27 | C17 | C14 | H16 | 123.0° | 120.0° |
| N27 | C17 | C14 | C18 | 50.4° | 59.3° |
| N27 | C17 | C14 | H10 | 170.9° | 179.2° |
| N27 | C17 | C14 | H11 | 70.0° | 60.7° |
| C17 | N27 | C16 | H14 | 176.0° | 58.3° |
| C17 | N27 | C16 | H15 | 64.0° | 178.3° |
| N27 | C17 | C19 | H17 | 180.0° | 172.5° |
| N27 | C17 | C19 | H18 | 60.0° | 67.5° |
| N27 | C17 | C19 | H19 | 60.0° | 52.5° |
| C17 | N27 | C23 | H29 | 53.2° | 73.8° |
| C17 | N27 | C23 | H30 | 172.2° | 46.2° |
| C19 | C17 | C14 | H16 | 118.7° | 120.0° |
| C19 | C17 | C14 | C18 | 168.7° | 179.3° |
| C19 | C17 | C14 | H10 | 70.8° | 60.8° |
| C19 | C17 | C14 | H11 | 48.3° | 59.3° |
| C17 | C19 | H17 | H18 | 120.0° | 120.1° |
| C17 | C19 | H17 | H19 | 120.0° | 120.0° |
| C17 | C19 | H18 | H19 | 120.0° | 120.0° |
| C10 | C4 | C2 | H2 | 178.1° | 180.0° |
| C4 | C10 | O30 | H33 | 2.6° | 90.0° |
| O30 | C10 | C4 | H4 | 1.8° | 0.0° |
| C16 | C13 | C18 | H8 | 120.5° | 119.9° |
| C16 | C13 | C18 | H9 | 120.6° | 120.0° |
| C16 | C13 | C18 | C14 | 55.2° | 57.8° |
| C16 | C13 | C18 | C15 | 171.8° | 177.6° |
| C16 | C13 | C18 | N25 | 74.0° | 61.1° |
| C16 | C13 | H8 | H9 | 118.3° | 120.2° |
| C13 | C16 | H14 | H15 | 120.0° | 120.0° |
| C17 | C14 | C18 | C13 | 50.2° | 57.9° |
| C17 | C14 | C18 | H10 | 120.5° | 119.9° |
| C17 | C14 | C18 | H11 | 120.5° | 120.0° |
| C17 | C14 | C18 | C15 | 167.7° | 177.6° |
| C17 | C14 | C18 | N25 | 76.6° | 61.1° |
| C17 | C14 | H10 | H11 | 118.6° | 120.2° |
| C14 | C17 | C19 | H17 | 58.0° | 52.4° |
| C14 | C17 | C19 | H18 | 178.0° | 172.5° |
| C14 | C17 | C19 | H19 | 62.0° | 67.5° |
| C13 | C18 | C14 | C15 | 117.5° | 119.7° |
| C13 | C18 | C14 | N25 | 126.8° | 118.9° |
| C13 | C18 | C15 | N25 | 118.5° | 120.2° |
| C13 | C18 | C15 | N26 | 88.0° | 140.9° |
| C13 | C18 | N25 | C9 | 88.5° | 58.1° |
| C13 | C18 | N25 | S33 | 100.1° | 121.9° |
| C18 | C13 | H8 | H9 | 118.3° | 120.1° |
| C13 | C18 | C14 | H10 | 170.7° | 177.7° |
| C13 | C18 | C14 | H11 | 70.3° | 62.1° |
| C13 | C18 | C15 | H12 | 152.2° | 99.1° |
| C13 | C18 | C15 | H13 | 31.7° | 20.9° |
| C18 | C13 | C16 | H14 | 178.4° | 60.8° |
| C18 | C13 | C16 | H15 | 61.6° | 179.3° |
| C14 | C18 | C15 | N25 | 122.8° | 120.3° |
| C14 | C18 | C15 | N26 | 153.3° | 99.7° |
| C14 | C18 | N25 | C9 | 37.8° | 60.8° |
| C14 | C18 | N25 | S33 | 133.6° | 119.2° |
| C14 | C18 | C13 | H8 | 65.3° | 62.0° |
| C14 | C18 | C13 | H9 | 175.8° | 177.8° |
| C18 | C14 | H10 | H11 | 118.5° | 120.1° |
| C14 | C18 | C15 | H12 | 33.5° | 20.4° |
| C14 | C18 | C15 | H13 | 87.0° | 140.4° |
| C18 | C14 | C17 | H16 | 72.6° | 60.7° |
| C18 | C15 | N26 | H12 | 119.8° | 120.1° |
| C18 | C15 | N26 | H13 | 119.7° | 120.0° |
| C15 | C18 | N25 | C9 | 154.9° | 178.7° |
| C15 | C18 | N25 | S33 | 16.6° | 1.4° |
| C18 | C15 | N26 | S33 | 33.7° | 29.4° |
| C18 | C15 | N26 | C22 | 169.4° | 150.6° |
| C15 | C18 | C13 | H8 | 51.2° | 57.7° |
| C15 | C18 | C13 | H9 | 67.7° | 62.4° |
| C15 | C18 | C14 | H10 | 71.8° | 62.5° |
| C15 | C18 | C14 | H11 | 47.2° | 57.6° |
| C18 | C15 | H12 | H13 | 120.8° | 120.0° |
| N25 | C18 | C15 | N26 | 30.4° | 20.6° |
| C18 | N25 | C9 | C3 | 111.3° | 90.4° |
| C18 | N25 | C9 | S33 | 171.3° | 180.0° |
| C18 | N25 | C9 | C7 | 76.6° | 89.6° |
| C18 | N25 | S33 | N26 | 1.7° | 15.4° |
| C18 | N25 | S33 | O28 | 115.0° | 97.0° |
| C18 | N25 | S33 | O29 | 110.9° | 127.8° |
| N25 | C18 | C13 | H8 | 165.5° | 179.0° |
| N25 | C18 | C13 | H9 | 46.6° | 58.9° |
| N25 | C18 | C14 | H10 | 43.9° | 58.8° |
| N25 | C18 | C14 | H11 | 162.9° | 178.9° |
| N25 | C18 | C15 | H12 | 89.3° | 140.7° |
| N25 | C18 | C15 | H13 | 150.2° | 99.3° |
| C15 | N26 | S33 | N25 | 20.8° | 26.9° |
| C15 | N26 | S33 | C22 | 134.1° | 180.0° |
| C15 | N26 | S33 | O28 | 131.0° | 85.5° |
| C15 | N26 | S33 | O29 | 93.6° | 139.4° |
| N26 | C15 | H12 | H13 | 120.8° | 119.9° |
| C15 | N26 | C22 | H26 | 132.4° | 90.0° |
| C15 | N26 | C22 | H27 | 12.4° | 150.0° |
| C15 | N26 | C22 | H28 | 107.6° | 30.0° |
| C1 | C3 | C9 | H3 | 180.0° | 180.0° |
| C3 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C3 | C9 | N25 | 175.2° | 180.0° |
| C1 | C3 | C9 | C7 | 2.9° | 0.0° |
| C3 | C1 | C5 | C12 | 1.9° | 0.2° |
| C3 | C1 | C5 | H5 | 178.1° | 179.7° |
| C9 | C3 | C1 | C5 | 0.5° | 0.1° |
| C3 | C9 | N25 | C7 | 172.1° | 179.9° |
| C3 | C9 | N25 | S33 | 77.4° | 89.6° |
| C3 | C9 | C7 | C12 | 4.8° | 0.2° |
| C9 | C3 | C1 | H1 | 179.5° | 179.7° |
| C3 | C9 | C7 | H7 | 175.2° | 179.7° |
| C1 | C5 | C12 | H5 | 180.0° | 179.9° |
| C1 | C5 | C12 | C7 | 0.1° | 0.4° |
| C1 | C5 | C12 | F32 | 179.4° | 179.9° |
| C5 | C1 | C3 | H3 | 179.5° | 179.9° |
| N25 | C9 | C7 | C12 | 176.8° | 179.7° |
| C9 | N25 | S33 | N26 | 174.5° | 164.6° |
| C9 | N25 | S33 | O28 | 72.2° | 83.0° |
| C9 | N25 | S33 | O29 | 62.0° | 52.2° |
| N25 | C9 | C3 | H3 | 4.8° | 0.0° |
| N25 | C9 | C7 | H7 | 3.2° | 0.2° |
| C7 | C9 | N25 | S33 | 94.8° | 90.4° |
| C9 | C7 | C12 | C5 | 3.4° | 0.4° |
| C9 | C7 | C12 | H7 | 180.0° | 179.5° |
| C9 | C7 | C12 | F32 | 177.2° | 179.9° |
| C7 | C9 | C3 | H3 | 177.1° | 179.9° |
| N25 | S33 | N26 | O28 | 110.2° | 112.4° |
| N25 | S33 | N26 | O29 | 114.3° | 112.5° |
| N25 | S33 | N26 | C22 | 154.9° | 153.1° |
| N25 | S33 | O28 | O29 | 129.3° | 125.7° |
| C5 | C12 | C7 | F32 | 179.3° | 179.5° |
| C12 | C5 | C1 | H1 | 178.1° | 180.0° |
| C5 | C12 | C7 | H7 | 176.6° | 180.0° |
| C7 | C12 | C5 | H5 | 179.9° | 179.5° |
| F32 | C12 | C5 | H5 | 0.6° | 0.0° |
| F32 | C12 | C7 | H7 | 2.7° | 0.5° |
| N26 | S33 | O28 | O29 | 130.1° | 125.7° |
| S33 | N26 | C15 | H12 | 86.1° | 149.5° |
| S33 | N26 | C15 | H13 | 153.4° | 90.5° |
| S33 | N26 | C22 | H26 | 0.0° | 90.0° |
| S33 | N26 | C22 | H27 | 120.0° | 30.0° |
| S33 | N26 | C22 | H28 | 120.0° | 150.0° |
| C22 | N26 | S33 | O28 | 94.9° | 94.5° |
| C22 | N26 | S33 | O29 | 40.6° | 40.6° |
| C22 | N26 | C15 | H12 | 49.6° | 30.5° |
| C22 | N26 | C15 | H13 | 70.9° | 89.5° |
| N26 | C22 | H26 | H27 | 120.0° | 120.0° |
| N26 | C22 | H26 | H28 | 120.0° | 120.0° |
| N26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H1 | C1 | C3 | H3 | 0.5° | 0.3° |
| H1 | C1 | C5 | H5 | 1.9° | 0.1° |
| H2 | C2 | C4 | H4 | 1.9° | 0.1° |
| H8 | C13 | C16 | H14 | 57.9° | 179.3° |
| H8 | C13 | C16 | H15 | 177.9° | 59.4° |
| H9 | C13 | C16 | H14 | 61.0° | 59.2° |
| H9 | C13 | C16 | H15 | 59.0° | 60.8° |
| H10 | C14 | C17 | H16 | 47.9° | 59.2° |
| H11 | C14 | C17 | H16 | 166.9° | 179.4° |
| H16 | C17 | C19 | H17 | 60.7° | 67.7° |
| H16 | C17 | C19 | H18 | 59.4° | 52.4° |
| H16 | C17 | C19 | H19 | 179.4° | 172.4° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H20 | C20 | C24 | H31 | 59.2° | 60.0° |
| H21 | C20 | C24 | H31 | 179.2° | 179.9° |
| H22 | C20 | C24 | H31 | 60.7° | 59.9° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H23 | C21 | C24 | H31 | 59.3° | 180.0° |
| H24 | C21 | C24 | H31 | 60.7° | 60.0° |
| H25 | C21 | C24 | H31 | 179.3° | 60.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
