UKR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| F1 | C28 | sing | 1.35Å | 1.36Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| O | S | doub | 1.42Å | 1.44Å | |
| C25 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | S | sing | 1.76Å | 1.76Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| S | C | sing | 1.81Å | 1.78Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| F | C14 | sing | 1.35Å | 1.36Å | |
| C4 | N | sing | 1.47Å | 1.50Å | |
| C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.47Å | 1.50Å | |
| N | C7 | sing | 1.47Å | 1.50Å | |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.56Å | |
| C8 | C24 | sing | 1.55Å | 1.53Å | |
| C9 | C16 | sing | 1.54Å | 1.53Å | |
| C24 | N1 | sing | 1.49Å | 1.47Å | |
| C16 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C23 | C18 | sing | 1.54Å | 1.57Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| O1 | C19 | doub | 1.21Å | 1.31Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.54Å | 1.54Å | |
| C19 | O2 | sing | 1.34Å | 1.22Å | |
| C22 | C21 | sing | 1.55Å | 1.47Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| O2 | H37 | sing | 0.97Å | 0.95Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.08Å | 1.08Å | |
| C11 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 118.4° | 120.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C27 | C26 | H23 | 120.2° | 120.0° |
| C26 | C27 | H26 | 120.8° | 120.0° |
| C27 | C28 | F1 | 118.4° | 120.0° |
| C27 | C28 | C29 | 123.0° | 119.9° |
| C28 | C27 | H26 | 120.8° | 120.0° |
| F1 | C28 | C29 | 118.6° | 120.1° |
| C26 | C25 | C30 | 121.0° | 120.1° |
| C26 | C25 | S | 119.3° | 120.0° |
| C25 | C26 | H23 | 120.2° | 120.0° |
| C28 | C29 | C30 | 118.5° | 120.0° |
| C28 | C29 | H25 | 120.8° | 120.0° |
| O | S | C25 | 108.3° | 104.3° |
| O | S | C | 108.4° | 110.6° |
| O | S | O3 | 118.2° | 121.1° |
| C30 | C25 | S | 119.6° | 120.0° |
| C25 | C30 | C29 | 119.5° | 120.0° |
| C25 | C30 | H24 | 120.3° | 120.0° |
| C25 | S | C | 104.5° | 104.4° |
| C25 | S | O3 | 108.6° | 104.2° |
| C29 | C30 | H24 | 120.3° | 119.9° |
| C30 | C29 | H25 | 120.8° | 120.0° |
| C | S | O3 | 108.1° | 110.5° |
| S | C | C1 | 116.8° | 109.4° |
| S | C | H27 | 107.6° | 109.4° |
| S | C | H28 | 107.6° | 109.5° |
| C2 | C1 | C | 118.6° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.5° |
| C1 | C2 | C5 | 113.9° | 109.5° |
| C2 | C1 | H29 | 107.2° | 109.4° |
| C2 | C1 | H30 | 107.1° | 109.5° |
| C1 | C2 | H31 | 107.4° | 109.5° |
| C1 | C | H27 | 107.6° | 109.5° |
| C1 | C | H28 | 107.6° | 109.5° |
| C | C1 | H29 | 107.1° | 109.5° |
| C | C1 | H30 | 107.2° | 109.5° |
| C3 | C2 | C5 | 109.8° | 109.2° |
| C2 | C3 | C4 | 111.5° | 109.3° |
| C3 | C2 | H31 | 107.6° | 109.5° |
| C2 | C3 | H33 | 109.0° | 109.6° |
| C2 | C3 | H34 | 109.0° | 109.5° |
| C2 | C5 | C6 | 112.3° | 109.3° |
| C2 | C5 | H4 | 108.8° | 109.5° |
| C2 | C5 | H5 | 108.8° | 109.5° |
| C5 | C2 | H31 | 107.5° | 109.6° |
| C3 | C4 | N | 109.9° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.5° |
| C3 | C4 | H3 | 109.3° | 109.5° |
| C4 | C3 | H33 | 109.0° | 109.5° |
| C4 | C3 | H34 | 109.0° | 109.5° |
| F | C14 | C13 | 118.6° | 120.0° |
| F | C14 | C15 | 118.1° | 120.1° |
| C4 | N | C6 | 109.5° | 111.2° |
| C4 | N | C7 | 109.0° | 111.0° |
| N | C4 | H2 | 109.4° | 109.5° |
| N | C4 | H3 | 109.4° | 109.4° |
| C13 | C14 | C15 | 123.3° | 120.0° |
| C14 | C13 | C12 | 117.8° | 120.0° |
| C14 | C13 | H11 | 121.1° | 120.0° |
| C14 | C15 | C10 | 118.8° | 120.0° |
| C14 | C15 | H12 | 120.6° | 120.0° |
| C5 | C6 | N | 110.3° | 109.5° |
| C6 | C5 | H4 | 108.7° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.5° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C12 | C13 | H11 | 121.1° | 120.0° |
| C13 | C12 | H41 | 119.7° | 120.0° |
| C6 | N | C7 | 113.6° | 111.0° |
| N | C6 | H6 | 109.3° | 109.5° |
| N | C6 | H7 | 109.3° | 109.5° |
| N | C7 | C8 | 114.1° | 109.5° |
| N | C7 | H8 | 108.3° | 109.5° |
| N | C7 | H9 | 108.3° | 109.5° |
| C15 | C10 | C11 | 119.1° | 120.0° |
| C15 | C10 | C9 | 118.9° | 120.0° |
| C10 | C15 | H12 | 120.6° | 120.0° |
| C7 | C8 | C9 | 112.9° | 110.8° |
| C7 | C8 | C24 | 112.7° | 110.7° |
| C8 | C7 | H8 | 108.3° | 109.5° |
| C8 | C7 | H9 | 108.3° | 109.5° |
| C7 | C8 | H10 | 109.9° | 110.6° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C11 | C12 | H41 | 119.8° | 120.0° |
| C12 | C11 | H42 | 119.7° | 120.0° |
| C11 | C10 | C9 | 122.0° | 120.0° |
| C10 | C11 | H42 | 119.7° | 120.0° |
| C10 | C9 | C8 | 118.0° | 110.3° |
| C10 | C9 | C16 | 115.2° | 110.3° |
| C10 | C9 | H40 | 106.4° | 110.3° |
| C9 | C8 | C24 | 101.9° | 102.9° |
| C8 | C9 | C16 | 104.3° | 105.2° |
| C9 | C8 | H10 | 109.4° | 110.7° |
| C8 | C9 | H40 | 105.9° | 110.3° |
| C8 | C24 | N1 | 100.0° | 103.2° |
| C24 | C8 | H10 | 109.8° | 110.9° |
| C8 | C24 | H21 | 111.8° | 110.7° |
| C8 | C24 | H22 | 111.8° | 110.7° |
| C9 | C16 | N1 | 104.3° | 107.1° |
| C9 | C16 | H38 | 110.7° | 109.9° |
| C9 | C16 | H39 | 110.7° | 110.1° |
| C16 | C9 | H40 | 106.2° | 110.4° |
| C24 | N1 | C16 | 104.5° | 105.8° |
| C24 | N1 | C17 | 115.8° | 111.0° |
| N1 | C24 | H21 | 111.8° | 110.7° |
| N1 | C24 | H22 | 111.8° | 110.6° |
| C16 | N1 | C17 | 116.0° | 111.0° |
| N1 | C16 | H38 | 110.7° | 109.9° |
| N1 | C16 | H39 | 110.7° | 110.0° |
| N1 | C17 | C18 | 106.0° | 109.4° |
| N1 | C17 | H13 | 110.3° | 109.5° |
| N1 | C17 | H14 | 110.4° | 109.4° |
| C17 | C18 | C23 | 112.2° | 110.1° |
| C17 | C18 | C19 | 106.2° | 110.0° |
| C17 | C18 | C20 | 114.5° | 110.0° |
| C18 | C17 | H13 | 110.4° | 109.5° |
| C18 | C17 | H14 | 110.3° | 109.5° |
| C18 | C23 | C22 | 107.1° | 106.6° |
| C23 | C18 | C19 | 113.0° | 110.1° |
| C23 | C18 | C20 | 102.4° | 106.6° |
| C18 | C23 | H35 | 110.1° | 110.0° |
| C18 | C23 | H36 | 110.1° | 110.1° |
| C23 | C22 | C21 | 106.9° | 104.2° |
| C23 | C22 | H19 | 110.1° | 110.5° |
| C23 | C22 | H20 | 110.1° | 110.6° |
| C22 | C23 | H35 | 110.1° | 110.0° |
| C22 | C23 | H36 | 110.1° | 110.1° |
| O1 | C19 | C18 | 114.5° | 120.0° |
| O1 | C19 | O2 | 122.1° | 120.0° |
| C19 | C18 | C20 | 108.8° | 110.0° |
| C18 | C19 | O2 | 123.3° | 119.9° |
| C18 | C20 | C21 | 104.5° | 104.1° |
| C18 | C20 | H15 | 110.7° | 110.5° |
| C18 | C20 | H16 | 110.7° | 110.6° |
| C19 | O2 | H37 | 109.5° | 116.9° |
| C22 | C21 | C20 | 106.0° | 102.8° |
| C22 | C21 | H17 | 110.3° | 110.8° |
| C22 | C21 | H18 | 110.3° | 110.9° |
| C21 | C22 | H19 | 110.1° | 110.5° |
| C21 | C22 | H20 | 110.1° | 110.5° |
| C21 | C20 | H15 | 110.7° | 110.5° |
| C21 | C20 | H16 | 110.7° | 110.4° |
| C20 | C21 | H17 | 110.3° | 110.8° |
| C20 | C21 | H18 | 110.4° | 110.7° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.5° | 110.5° |
| H17 | C21 | H18 | 109.5° | 110.7° |
| H19 | C22 | H20 | 109.5° | 110.4° |
| H21 | C24 | H22 | 109.5° | 110.7° |
| H27 | C | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 110.0° |
| H38 | C16 | H39 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H26 | 180.0° | 179.5° |
| C26 | C27 | C28 | F1 | 178.1° | 179.7° |
| C27 | C26 | C25 | H23 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.6° | 0.5° |
| C27 | C26 | C25 | C30 | 0.2° | 0.3° |
| C27 | C26 | C25 | S | 178.1° | 179.8° |
| C27 | C28 | F1 | C29 | 178.7° | 179.7° |
| C28 | C27 | C26 | C25 | 0.1° | 0.6° |
| C27 | C28 | C29 | C30 | 0.6° | 0.3° |
| C28 | C27 | C26 | H23 | 179.8° | 179.7° |
| C27 | C28 | C29 | H25 | 179.4° | 179.9° |
| F1 | C28 | C29 | C30 | 178.0° | 180.0° |
| F1 | C28 | C29 | H25 | 2.0° | 0.2° |
| F1 | C28 | C27 | H26 | 1.9° | 0.2° |
| C26 | C25 | S | O | 40.6° | 26.1° |
| C26 | C25 | C30 | S | 177.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.0° |
| C26 | C25 | S | C | 74.8° | 90.0° |
| C26 | C25 | S | O3 | 170.0° | 153.9° |
| C26 | C25 | C30 | H24 | 179.9° | 179.9° |
| C25 | C26 | C27 | H26 | 179.8° | 180.0° |
| C28 | C29 | C30 | C25 | 0.3° | 0.0° |
| C28 | C29 | C30 | H25 | 180.0° | 179.8° |
| C28 | C29 | C30 | H24 | 179.7° | 179.9° |
| C29 | C28 | C27 | H26 | 179.4° | 180.0° |
| O | S | C25 | C30 | 141.5° | 153.9° |
| O | S | C25 | C | 115.3° | 116.1° |
| O | S | C25 | O3 | 129.5° | 127.9° |
| O | S | C | O3 | 129.2° | 136.8° |
| O | S | C | C1 | 10.2° | 68.4° |
| O | S | C | H27 | 110.8° | 51.6° |
| O | S | C | H28 | 131.3° | 171.6° |
| C25 | C30 | C29 | H24 | 180.0° | 179.9° |
| C30 | C25 | S | C | 103.1° | 90.0° |
| C30 | C25 | S | O3 | 12.1° | 26.0° |
| C30 | C25 | C26 | H23 | 179.8° | 180.0° |
| C25 | C30 | C29 | H25 | 179.7° | 179.8° |
| S | C25 | C30 | C29 | 178.0° | 180.0° |
| C25 | S | C | O3 | 115.5° | 111.6° |
| C25 | S | C | C1 | 125.5° | 180.0° |
| S | C25 | C26 | H23 | 1.9° | 0.0° |
| S | C25 | C30 | H24 | 2.0° | 0.1° |
| C25 | S | C | H27 | 4.4° | 60.1° |
| C25 | S | C | H28 | 113.4° | 60.0° |
| S | C | C1 | C2 | 158.1° | 180.0° |
| S | C | C1 | H27 | 121.1° | 119.9° |
| S | C | C1 | H28 | 121.1° | 120.0° |
| S | C | H27 | H28 | 116.7° | 120.0° |
| S | C | C1 | H29 | 36.8° | 60.1° |
| S | C | C1 | H30 | 80.7° | 60.0° |
| O3 | S | C | C1 | 119.0° | 68.5° |
| O3 | S | C | H27 | 120.0° | 171.6° |
| O3 | S | C | H28 | 2.1° | 51.6° |
| C2 | C1 | C | H29 | 121.3° | 120.0° |
| C2 | C1 | C | H30 | 121.3° | 120.0° |
| C1 | C2 | C3 | C5 | 126.3° | 119.9° |
| C1 | C2 | C3 | H31 | 116.9° | 120.1° |
| C1 | C2 | C5 | H31 | 118.9° | 120.1° |
| C1 | C2 | C3 | C4 | 179.9° | 177.6° |
| C1 | C2 | C5 | C6 | 176.0° | 177.6° |
| C1 | C2 | C5 | H4 | 63.6° | 57.6° |
| C1 | C2 | C5 | H5 | 55.6° | 62.5° |
| C2 | C1 | C | H27 | 37.0° | 60.1° |
| C2 | C1 | C | H28 | 80.8° | 60.0° |
| C2 | C1 | H29 | H30 | 115.9° | 120.0° |
| C1 | C2 | C3 | H33 | 59.8° | 62.4° |
| C1 | C2 | C3 | H34 | 59.6° | 57.6° |
| C | C1 | C2 | C3 | 148.1° | 175.0° |
| C | C1 | C2 | C5 | 24.2° | 65.3° |
| C1 | C | H27 | H28 | 116.6° | 120.0° |
| C | C1 | H29 | H30 | 115.9° | 120.1° |
| C | C1 | C2 | H31 | 94.8° | 54.9° |
| C3 | C2 | C5 | H31 | 116.8° | 119.9° |
| C2 | C3 | C4 | H33 | 120.3° | 120.0° |
| C2 | C3 | C4 | H34 | 120.3° | 119.9° |
| C2 | C3 | C4 | N | 59.7° | 59.2° |
| C3 | C2 | C5 | C6 | 51.8° | 57.6° |
| C2 | C3 | C4 | H2 | 179.8° | 60.9° |
| C2 | C3 | C4 | H3 | 60.3° | 179.1° |
| C3 | C2 | C5 | H4 | 172.2° | 62.3° |
| C3 | C2 | C5 | H5 | 68.6° | 177.6° |
| C3 | C2 | C1 | H29 | 90.6° | 65.0° |
| C3 | C2 | C1 | H30 | 26.8° | 55.0° |
| C2 | C3 | H33 | H34 | 119.1° | 120.1° |
| C5 | C2 | C3 | C4 | 53.8° | 57.6° |
| C2 | C5 | C6 | H4 | 120.4° | 119.9° |
| C2 | C5 | C6 | H5 | 120.4° | 119.9° |
| C2 | C5 | C6 | N | 55.4° | 59.2° |
| C2 | C5 | H4 | H5 | 118.7° | 120.1° |
| C2 | C5 | C6 | H6 | 64.7° | 60.9° |
| C2 | C5 | C6 | H7 | 175.5° | 179.2° |
| C5 | C2 | C1 | H29 | 145.4° | 54.7° |
| C5 | C2 | C1 | H30 | 97.2° | 174.7° |
| C5 | C2 | C3 | H33 | 66.5° | 177.6° |
| C5 | C2 | C3 | H34 | 174.1° | 62.3° |
| C3 | C4 | N | H2 | 120.0° | 120.1° |
| C3 | C4 | N | H3 | 120.0° | 120.0° |
| C3 | C4 | N | C6 | 62.1° | 61.7° |
| C3 | C4 | N | C7 | 173.1° | 174.2° |
| C3 | C4 | H2 | H3 | 119.8° | 120.0° |
| C4 | C3 | C2 | H31 | 63.0° | 62.3° |
| C4 | C3 | H33 | H34 | 119.1° | 120.1° |
| F | C14 | C13 | C15 | 179.5° | 180.0° |
| F | C14 | C13 | C12 | 179.1° | 179.7° |
| F | C14 | C15 | C10 | 179.7° | 179.9° |
| F | C14 | C13 | H11 | 0.9° | 0.2° |
| F | C14 | C15 | H12 | 0.3° | 0.0° |
| C4 | N | C6 | C5 | 59.8° | 61.8° |
| C4 | N | C6 | C7 | 122.1° | 124.1° |
| C4 | N | C7 | C8 | 173.1° | 170.0° |
| N | C4 | H2 | H3 | 119.8° | 119.9° |
| C4 | N | C6 | H6 | 60.3° | 58.3° |
| C4 | N | C6 | H7 | 179.9° | 178.2° |
| C4 | N | C7 | H8 | 52.4° | 70.0° |
| C4 | N | C7 | H9 | 66.2° | 50.0° |
| N | C4 | C3 | H33 | 60.6° | 179.2° |
| N | C4 | C3 | H34 | 180.0° | 60.7° |
| C14 | C13 | C12 | H11 | 180.0° | 179.4° |
| C13 | C14 | C15 | C10 | 0.3° | 0.1° |
| C14 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C14 | C15 | H12 | 179.7° | 180.0° |
| C14 | C13 | C12 | H41 | 179.5° | 179.4° |
| C15 | C14 | C13 | C12 | 0.4° | 0.3° |
| C14 | C15 | C10 | H12 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.8° | 0.1° |
| C14 | C15 | C10 | C9 | 176.6° | 179.7° |
| C15 | C14 | C13 | H11 | 179.6° | 179.7° |
| C5 | C6 | N | H6 | 120.1° | 120.1° |
| C5 | C6 | N | H7 | 120.1° | 120.0° |
| C5 | C6 | N | C7 | 178.1° | 174.1° |
| C6 | C5 | H4 | H5 | 118.7° | 120.1° |
| C5 | C6 | H6 | H7 | 119.7° | 120.0° |
| C6 | C5 | C2 | H31 | 65.0° | 62.3° |
| C13 | C12 | C11 | H41 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.5° |
| C13 | C12 | C11 | H42 | 179.9° | 179.4° |
| C6 | N | C7 | C8 | 64.5° | 65.8° |
| C6 | N | C4 | H2 | 177.8° | 58.3° |
| C6 | N | C4 | H3 | 57.9° | 178.3° |
| N | C6 | C5 | H4 | 175.8° | 60.7° |
| N | C6 | C5 | H5 | 65.0° | 179.1° |
| N | C6 | H6 | H7 | 119.6° | 119.9° |
| C6 | N | C7 | H8 | 174.8° | 54.2° |
| C6 | N | C7 | H9 | 56.2° | 174.2° |
| N | C7 | C8 | H8 | 120.7° | 120.0° |
| N | C7 | C8 | H9 | 120.7° | 120.0° |
| N | C7 | C8 | C9 | 173.0° | 175.0° |
| N | C7 | C8 | C24 | 72.3° | 71.5° |
| C7 | N | C4 | H2 | 53.0° | 65.8° |
| C7 | N | C4 | H3 | 66.9° | 54.2° |
| C7 | N | C6 | H6 | 61.8° | 65.8° |
| C7 | N | C6 | H7 | 58.0° | 54.1° |
| N | C7 | H8 | H9 | 117.9° | 120.0° |
| N | C7 | C8 | H10 | 50.6° | 51.9° |
| C15 | C10 | C11 | C12 | 0.7° | 0.3° |
| C15 | C10 | C11 | C9 | 177.3° | 179.7° |
| C15 | C10 | C9 | C8 | 134.8° | 59.7° |
| C15 | C10 | C9 | C16 | 101.2° | 56.1° |
| C15 | C10 | C9 | H40 | 16.1° | 178.2° |
| C15 | C10 | C11 | H42 | 179.3° | 179.7° |
| C7 | C8 | C9 | C10 | 88.3° | 100.8° |
| C7 | C8 | C9 | C24 | 121.1° | 118.4° |
| C7 | C8 | C9 | H10 | 122.7° | 123.1° |
| C7 | C8 | C24 | H10 | 122.9° | 123.2° |
| C7 | C8 | C9 | C16 | 142.4° | 140.3° |
| C7 | C8 | C24 | N1 | 164.3° | 155.8° |
| C8 | C7 | H8 | H9 | 117.9° | 120.0° |
| C7 | C8 | C24 | H21 | 77.3° | 37.4° |
| C7 | C8 | C24 | H22 | 45.8° | 85.8° |
| C7 | C8 | C9 | H40 | 30.6° | 21.3° |
| C12 | C11 | C10 | H42 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 176.6° | 179.9° |
| C11 | C12 | C13 | H11 | 179.5° | 180.0° |
| C11 | C10 | C9 | C8 | 47.9° | 120.0° |
| C11 | C10 | C9 | C16 | 76.1° | 124.3° |
| C11 | C10 | C15 | H12 | 179.2° | 180.0° |
| C11 | C10 | C9 | H40 | 166.6° | 2.1° |
| C10 | C11 | C12 | H41 | 179.9° | 179.4° |
| C10 | C9 | C8 | C16 | 129.3° | 118.9° |
| C10 | C9 | C8 | H40 | 118.9° | 122.1° |
| C10 | C9 | C8 | C24 | 150.6° | 140.9° |
| C10 | C9 | C16 | H40 | 117.4° | 122.1° |
| C10 | C9 | C16 | N1 | 122.6° | 117.7° |
| C10 | C9 | C8 | H10 | 34.4° | 22.3° |
| C9 | C10 | C15 | H12 | 3.4° | 0.3° |
| C10 | C9 | C16 | H38 | 118.2° | 1.6° |
| C10 | C9 | C16 | H39 | 3.4° | 122.8° |
| C9 | C10 | C11 | H42 | 3.4° | 0.0° |
| C9 | C8 | C24 | H10 | 115.9° | 118.4° |
| C8 | C9 | C16 | H40 | 111.6° | 118.9° |
| C9 | C8 | C24 | N1 | 43.0° | 37.4° |
| C8 | C9 | C16 | N1 | 8.3° | 1.3° |
| C9 | C8 | C7 | H8 | 66.4° | 55.0° |
| C9 | C8 | C7 | H9 | 52.3° | 65.0° |
| C9 | C8 | C24 | H21 | 161.5° | 81.0° |
| C9 | C8 | C24 | H22 | 75.4° | 155.8° |
| C8 | C9 | C16 | H38 | 110.9° | 120.6° |
| C8 | C9 | C16 | H39 | 127.5° | 118.2° |
| C24 | C8 | C9 | C16 | 21.3° | 21.9° |
| C8 | C24 | N1 | H21 | 118.4° | 118.5° |
| C8 | C24 | N1 | H22 | 118.4° | 118.5° |
| C8 | C24 | N1 | C16 | 50.4° | 39.2° |
| C8 | C24 | N1 | C17 | 179.3° | 159.7° |
| C24 | C8 | C7 | H8 | 48.4° | 168.5° |
| C24 | C8 | C7 | H9 | 167.0° | 48.5° |
| C8 | C24 | H21 | H22 | 124.4° | 123.1° |
| C24 | C8 | C9 | H40 | 90.5° | 97.1° |
| C9 | C16 | N1 | C24 | 36.7° | 25.4° |
| C9 | C16 | N1 | H38 | 119.2° | 119.3° |
| C9 | C16 | N1 | H39 | 119.2° | 119.6° |
| C9 | C16 | N1 | C17 | 165.5° | 145.9° |
| C16 | C9 | C8 | H10 | 94.8° | 96.6° |
| C9 | C16 | H38 | H39 | 122.4° | 121.3° |
| C24 | N1 | C16 | C17 | 128.8° | 120.5° |
| C24 | N1 | C17 | C18 | 141.3° | 161.3° |
| N1 | C24 | C8 | H10 | 72.8° | 81.0° |
| C24 | N1 | C17 | H13 | 21.8° | 41.2° |
| C24 | N1 | C17 | H14 | 99.3° | 78.8° |
| N1 | C24 | H21 | H22 | 124.4° | 123.0° |
| C24 | N1 | C16 | H38 | 82.4° | 144.7° |
| C24 | N1 | C16 | H39 | 155.9° | 94.2° |
| C16 | N1 | C17 | C18 | 95.7° | 81.4° |
| C16 | N1 | C17 | H13 | 144.8° | 158.6° |
| C16 | N1 | C17 | H14 | 23.8° | 38.6° |
| C16 | N1 | C24 | H21 | 168.8° | 79.2° |
| C16 | N1 | C24 | H22 | 68.0° | 157.7° |
| N1 | C16 | H38 | H39 | 122.4° | 121.1° |
| N1 | C16 | C9 | H40 | 119.9° | 120.2° |
| N1 | C17 | C18 | H13 | 119.5° | 120.0° |
| N1 | C17 | C18 | H14 | 119.5° | 119.9° |
| N1 | C17 | C18 | C23 | 43.6° | 65.1° |
| N1 | C17 | C18 | C19 | 80.3° | 173.4° |
| N1 | C17 | C18 | C20 | 159.7° | 52.1° |
| N1 | C17 | H13 | H14 | 121.6° | 120.0° |
| C17 | N1 | C24 | H21 | 62.3° | 41.2° |
| C17 | N1 | C24 | H22 | 60.8° | 81.8° |
| C17 | N1 | C16 | H38 | 46.3° | 94.8° |
| C17 | N1 | C16 | H39 | 75.3° | 26.3° |
| C17 | C18 | C23 | C19 | 119.9° | 121.4° |
| C17 | C18 | C23 | C20 | 123.2° | 119.3° |
| C17 | C18 | C23 | C22 | 140.5° | 119.3° |
| C17 | C18 | C19 | O1 | 126.0° | 5.0° |
| C17 | C18 | C19 | C20 | 123.6° | 121.3° |
| C17 | C18 | C19 | O2 | 51.8° | 175.0° |
| C17 | C18 | C20 | C21 | 154.0° | 95.7° |
| C18 | C17 | H13 | H14 | 121.6° | 120.1° |
| C17 | C18 | C20 | H15 | 34.8° | 145.6° |
| C17 | C18 | C20 | H16 | 86.8° | 22.9° |
| C17 | C18 | C23 | H35 | 99.8° | 0.0° |
| C17 | C18 | C23 | H36 | 20.9° | 121.4° |
| C18 | C23 | C22 | H35 | 119.6° | 119.3° |
| C18 | C23 | C22 | H36 | 119.6° | 119.3° |
| C23 | C18 | C19 | O1 | 2.7° | 116.4° |
| C23 | C18 | C19 | C20 | 113.0° | 117.2° |
| C23 | C18 | C19 | O2 | 175.1° | 63.6° |
| C18 | C23 | C22 | C21 | 4.7° | 23.6° |
| C23 | C18 | C20 | C21 | 32.4° | 23.6° |
| C23 | C18 | C17 | H13 | 75.9° | 174.9° |
| C23 | C18 | C17 | H14 | 163.0° | 54.8° |
| C23 | C18 | C20 | H15 | 86.8° | 95.1° |
| C23 | C18 | C20 | H16 | 151.6° | 142.3° |
| C18 | C23 | C22 | H19 | 124.3° | 142.3° |
| C18 | C23 | C22 | H20 | 114.9° | 95.1° |
| C18 | C23 | H35 | H36 | 121.1° | 121.4° |
| C22 | C23 | C18 | C19 | 99.5° | 119.3° |
| C22 | C23 | C18 | C20 | 17.3° | 0.0° |
| C23 | C22 | C21 | H19 | 119.6° | 118.7° |
| C23 | C22 | C21 | H20 | 119.6° | 118.8° |
| C23 | C22 | C21 | C20 | 25.5° | 38.0° |
| C23 | C22 | C21 | H17 | 94.0° | 80.4° |
| C23 | C22 | C21 | H18 | 145.0° | 156.3° |
| C23 | C22 | H19 | H20 | 121.2° | 122.7° |
| C22 | C23 | H35 | H36 | 121.1° | 121.4° |
| O1 | C19 | C18 | O2 | 177.8° | 180.0° |
| O1 | C19 | C18 | C20 | 110.3° | 126.4° |
| O1 | C19 | O2 | H37 | 0.0° | 0.0° |
| C19 | C18 | C20 | C21 | 87.5° | 143.0° |
| C19 | C18 | C17 | H13 | 160.3° | 53.4° |
| C19 | C18 | C17 | H14 | 39.2° | 66.6° |
| C19 | C18 | C20 | H15 | 153.3° | 24.3° |
| C19 | C18 | C20 | H16 | 31.7° | 98.4° |
| C19 | C18 | C23 | H35 | 20.1° | 121.4° |
| C19 | C18 | C23 | H36 | 140.8° | 0.0° |
| C18 | C19 | O2 | H37 | 177.6° | 180.0° |
| C20 | C18 | C19 | O2 | 71.9° | 53.6° |
| C18 | C20 | C21 | C22 | 37.0° | 38.0° |
| C18 | C20 | C21 | H15 | 119.2° | 118.7° |
| C18 | C20 | C21 | H16 | 119.2° | 118.7° |
| C20 | C18 | C17 | H13 | 40.2° | 67.9° |
| C20 | C18 | C17 | H14 | 80.9° | 172.0° |
| C18 | C20 | H15 | H16 | 122.3° | 122.7° |
| C18 | C20 | C21 | H17 | 82.5° | 80.4° |
| C18 | C20 | C21 | H18 | 156.4° | 156.5° |
| C20 | C18 | C23 | H35 | 137.0° | 119.3° |
| C20 | C18 | C23 | H36 | 102.3° | 119.3° |
| C22 | C21 | C20 | H17 | 119.4° | 118.4° |
| C22 | C21 | C20 | H18 | 119.4° | 118.5° |
| C22 | C21 | C20 | H15 | 82.2° | 80.7° |
| C22 | C21 | C20 | H16 | 156.2° | 156.7° |
| C22 | C21 | H17 | H18 | 121.5° | 123.4° |
| C21 | C22 | H19 | H20 | 121.2° | 122.6° |
| C21 | C22 | C23 | H35 | 114.9° | 95.7° |
| C21 | C22 | C23 | H36 | 124.4° | 142.9° |
| C21 | C20 | H15 | H16 | 122.3° | 122.5° |
| C20 | C21 | H17 | H18 | 121.6° | 123.2° |
| C20 | C21 | C22 | H19 | 145.1° | 156.6° |
| C20 | C21 | C22 | H20 | 94.1° | 80.8° |
| H2 | C4 | C3 | H33 | 59.5° | 59.1° |
| H2 | C4 | C3 | H34 | 59.9° | 179.2° |
| H3 | C4 | C3 | H33 | 179.4° | 60.8° |
| H3 | C4 | C3 | H34 | 60.0° | 59.2° |
| H4 | C5 | C6 | H6 | 55.7° | 179.2° |
| H4 | C5 | C6 | H7 | 64.0° | 59.3° |
| H4 | C5 | C2 | H31 | 55.4° | 177.8° |
| H5 | C5 | C6 | H6 | 174.9° | 59.1° |
| H5 | C5 | C6 | H7 | 55.1° | 60.9° |
| H5 | C5 | C2 | H31 | 174.6° | 57.6° |
| H8 | C7 | C8 | H10 | 171.2° | 68.1° |
| H9 | C7 | C8 | H10 | 70.1° | 171.9° |
| H10 | C8 | C24 | H21 | 45.6° | 160.5° |
| H10 | C8 | C24 | H22 | 168.7° | 37.4° |
| H10 | C8 | C9 | H40 | 153.3° | 144.4° |
| H11 | C13 | C12 | H41 | 0.5° | 0.0° |
| H15 | C20 | C21 | H17 | 158.3° | 160.9° |
| H15 | C20 | C21 | H18 | 37.2° | 37.8° |
| H16 | C20 | C21 | H17 | 36.7° | 38.4° |
| H16 | C20 | C21 | H18 | 84.4° | 84.8° |
| H17 | C21 | C22 | H19 | 25.6° | 38.3° |
| H17 | C21 | C22 | H20 | 146.4° | 160.8° |
| H18 | C21 | C22 | H19 | 95.5° | 85.0° |
| H18 | C21 | C22 | H20 | 25.4° | 37.5° |
| H19 | C22 | C23 | H35 | 4.7° | 23.0° |
| H19 | C22 | C23 | H36 | 116.0° | 98.4° |
| H20 | C22 | C23 | H35 | 125.5° | 145.6° |
| H20 | C22 | C23 | H36 | 4.8° | 24.2° |
| H23 | C26 | C27 | H26 | 0.2° | 0.2° |
| H24 | C30 | C29 | H25 | 0.3° | 0.3° |
| H27 | C | C1 | H29 | 84.3° | 180.0° |
| H27 | C | C1 | H30 | 158.3° | 59.9° |
| H28 | C | C1 | H29 | 157.9° | 59.9° |
| H28 | C | C1 | H30 | 40.4° | 180.0° |
| H29 | C1 | C2 | H31 | 26.4° | 174.9° |
| H30 | C1 | C2 | H31 | 143.9° | 65.1° |
| H31 | C2 | C3 | H33 | 176.7° | 57.7° |
| H31 | C2 | C3 | H34 | 57.3° | 177.7° |
| H38 | C16 | C9 | H40 | 0.8° | 120.5° |
| H39 | C16 | C9 | H40 | 120.9° | 0.7° |
| H41 | C12 | C11 | H42 | 0.1° | 0.6° |
