CKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C24 | sing | 1.35Å | 1.36Å | |
| C24 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| F2 | C30 | sing | 1.35Å | 1.35Å | |
| C31 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C20 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | S | sing | 1.76Å | 1.76Å | |
| S | N1 | sing | 1.66Å | 1.64Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C18 | N2 | sing | 1.35Å | 1.34Å | |
| C18 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C2 | C10 | sing | 1.53Å | 1.53Å | |
| N2 | C13 | sing | 1.40Å | 1.41Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C | C9 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | F | sing | 1.35Å | 1.35Å | |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| N | H27 | sing | 1.01Å | 1.00Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C24 | C23 | 118.5° | 120.0° |
| F1 | C24 | C25 | 118.6° | 120.0° |
| C23 | C24 | C25 | 122.9° | 120.0° |
| C24 | C23 | C22 | 118.1° | 120.0° |
| C24 | C23 | H19 | 120.9° | 120.0° |
| C24 | C25 | C26 | 118.2° | 119.9° |
| C24 | C25 | H18 | 120.9° | 120.0° |
| C23 | C22 | C21 | 121.2° | 120.0° |
| C23 | C22 | H12 | 119.4° | 120.0° |
| C22 | C23 | H19 | 120.9° | 120.0° |
| C25 | C26 | C21 | 121.1° | 120.1° |
| C25 | C26 | H17 | 119.5° | 120.0° |
| C26 | C25 | H18 | 120.9° | 120.0° |
| C22 | C21 | C26 | 118.4° | 120.0° |
| C22 | C21 | C20 | 121.3° | 120.0° |
| C21 | C22 | H12 | 119.4° | 120.0° |
| C26 | C21 | C20 | 120.0° | 120.0° |
| C21 | C26 | H17 | 119.4° | 119.9° |
| F2 | C30 | C31 | 118.6° | 120.1° |
| F2 | C30 | C29 | 118.5° | 120.0° |
| C30 | C31 | C32 | 118.1° | 120.0° |
| C31 | C30 | C29 | 122.9° | 119.9° |
| C30 | C31 | H15 | 121.0° | 120.0° |
| C31 | C32 | C27 | 121.2° | 120.0° |
| C32 | C31 | H15 | 121.0° | 120.1° |
| C31 | C32 | H16 | 119.5° | 120.0° |
| C21 | C20 | C27 | 111.0° | 109.5° |
| C21 | C20 | C19 | 114.6° | 109.5° |
| C21 | C20 | H11 | 106.1° | 109.5° |
| C30 | C29 | C28 | 118.2° | 120.0° |
| C30 | C29 | H13 | 120.9° | 120.0° |
| C32 | C27 | C28 | 118.4° | 120.1° |
| C32 | C27 | C20 | 121.4° | 120.0° |
| C27 | C32 | H16 | 119.4° | 120.0° |
| C29 | C28 | C27 | 121.2° | 120.0° |
| C28 | C29 | H13 | 120.9° | 120.1° |
| C29 | C28 | H14 | 119.4° | 119.9° |
| C28 | C27 | C20 | 120.1° | 120.0° |
| C27 | C28 | H14 | 119.4° | 120.0° |
| C27 | C20 | C19 | 112.4° | 109.5° |
| C27 | C20 | H11 | 106.1° | 109.5° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | H2 | 119.7° | 120.0° |
| C5 | C6 | H32 | 120.0° | 120.0° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C5 | C4 | H33 | 120.4° | 120.0° |
| C20 | C19 | C18 | 110.4° | 109.5° |
| C19 | C20 | H11 | 105.9° | 109.4° |
| C20 | C19 | H20 | 109.3° | 109.5° |
| C20 | C19 | H21 | 109.3° | 109.4° |
| C6 | C7 | C8 | 120.4° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C7 | C6 | H32 | 120.1° | 120.0° |
| C4 | C3 | C8 | 121.0° | 120.0° |
| C4 | C3 | S | 119.5° | 119.9° |
| C3 | C4 | H33 | 120.4° | 120.1° |
| C19 | C18 | N2 | 115.8° | 120.0° |
| C19 | C18 | O2 | 121.6° | 120.0° |
| C18 | C19 | H20 | 109.3° | 109.5° |
| C18 | C19 | H21 | 109.2° | 109.4° |
| C7 | C8 | C3 | 119.1° | 120.0° |
| C8 | C7 | H3 | 119.8° | 120.0° |
| C7 | C8 | H31 | 120.4° | 120.0° |
| O1 | S | C3 | 108.0° | 106.4° |
| O1 | S | N1 | 106.8° | 106.4° |
| O1 | S | O | 119.9° | 123.2° |
| C8 | C3 | S | 119.5° | 120.0° |
| C3 | C8 | H31 | 120.4° | 120.0° |
| C3 | S | N1 | 107.2° | 107.2° |
| C3 | S | O | 107.9° | 106.4° |
| N1 | S | O | 106.4° | 106.4° |
| S | N1 | C2 | 121.1° | 120.9° |
| S | N1 | C9 | 117.5° | 120.9° |
| N2 | C18 | O2 | 122.4° | 120.0° |
| C18 | N2 | C13 | 127.7° | 120.0° |
| C18 | N2 | H22 | 116.1° | 120.0° |
| C2 | C1 | N | 111.2° | 109.3° |
| C1 | C2 | N1 | 111.4° | 108.5° |
| C1 | C2 | C10 | 112.4° | 109.6° |
| C1 | C2 | H1 | 106.1° | 109.8° |
| C2 | C1 | H25 | 109.1° | 109.5° |
| C2 | C1 | H26 | 109.1° | 109.5° |
| C1 | N | C | 112.1° | 111.3° |
| N | C1 | H25 | 109.0° | 109.5° |
| N | C1 | H26 | 109.0° | 109.5° |
| C1 | N | H27 | 108.8° | 111.0° |
| N1 | C2 | C10 | 113.8° | 109.6° |
| C2 | N1 | C9 | 116.9° | 118.2° |
| N1 | C2 | H1 | 106.4° | 109.7° |
| C2 | C10 | C11 | 113.3° | 109.5° |
| C10 | C2 | H1 | 106.0° | 109.6° |
| C2 | C10 | H6 | 108.5° | 109.4° |
| C2 | C10 | H7 | 108.5° | 109.5° |
| N2 | C13 | C12 | 113.7° | 120.1° |
| N2 | C13 | C14 | 123.5° | 120.0° |
| C13 | N2 | H22 | 116.1° | 120.0° |
| N1 | C9 | C | 109.5° | 108.5° |
| N1 | C9 | H4 | 109.5° | 109.7° |
| N1 | C9 | H5 | 109.5° | 109.6° |
| N | C | C9 | 110.0° | 109.4° |
| C | N | H27 | 108.8° | 111.0° |
| N | C | H29 | 109.3° | 109.5° |
| N | C | H30 | 109.3° | 109.5° |
| C10 | C11 | C12 | 112.7° | 109.5° |
| C11 | C10 | H6 | 108.5° | 109.5° |
| C11 | C10 | H7 | 108.5° | 109.5° |
| C10 | C11 | H8 | 108.7° | 109.4° |
| C10 | C11 | H9 | 108.6° | 109.5° |
| C11 | C12 | C13 | 122.1° | 120.0° |
| C11 | C12 | C17 | 121.8° | 120.0° |
| C12 | C11 | H8 | 108.7° | 109.5° |
| C12 | C11 | H9 | 108.6° | 109.5° |
| C | C9 | H4 | 109.4° | 109.6° |
| C | C9 | H5 | 109.5° | 109.8° |
| C9 | C | H29 | 109.3° | 109.5° |
| C9 | C | H30 | 109.3° | 109.5° |
| C12 | C13 | C14 | 121.0° | 119.9° |
| C13 | C12 | C17 | 116.0° | 119.9° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H23 | 120.1° | 120.0° |
| C12 | C17 | F | 117.4° | 120.0° |
| C12 | C17 | C16 | 124.2° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | H10 | 119.8° | 119.9° |
| C15 | C14 | H23 | 120.1° | 120.1° |
| F | C17 | C16 | 118.4° | 120.0° |
| C17 | C16 | C15 | 118.6° | 120.1° |
| C17 | C16 | H24 | 120.7° | 119.9° |
| C16 | C15 | H10 | 119.8° | 120.0° |
| C15 | C16 | H24 | 120.7° | 119.9° |
| H4 | C9 | H5 | 109.5° | 109.6° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H29 | C | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C24 | C23 | C25 | 178.7° | 179.9° |
| F1 | C24 | C23 | C22 | 177.5° | 180.0° |
| F1 | C24 | C25 | C26 | 177.1° | 179.9° |
| F1 | C24 | C25 | H18 | 3.0° | 0.2° |
| F1 | C24 | C23 | H19 | 2.5° | 0.1° |
| C24 | C23 | C22 | H19 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 1.6° | 0.2° |
| C24 | C23 | C22 | C21 | 0.7° | 0.1° |
| C24 | C23 | C22 | H12 | 179.3° | 180.0° |
| C23 | C24 | C25 | H18 | 178.3° | 179.7° |
| C25 | C24 | C23 | C22 | 1.1° | 0.1° |
| C24 | C25 | C26 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.3° | 0.0° |
| C24 | C25 | C26 | H17 | 179.7° | 179.9° |
| C25 | C24 | C23 | H19 | 178.9° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 2.0° | 0.3° |
| C23 | C22 | C21 | C20 | 172.3° | 179.9° |
| C25 | C26 | C21 | C22 | 1.5° | 0.2° |
| C25 | C26 | C21 | H17 | 180.0° | 179.9° |
| C25 | C26 | C21 | C20 | 172.9° | 180.0° |
| C22 | C21 | C26 | C20 | 174.4° | 179.8° |
| C22 | C21 | C20 | C27 | 81.0° | 123.2° |
| C22 | C21 | C20 | C19 | 47.6° | 116.8° |
| C22 | C21 | C20 | H11 | 164.1° | 3.2° |
| C22 | C21 | C26 | H17 | 178.5° | 179.7° |
| C21 | C22 | C23 | H19 | 179.3° | 179.7° |
| C26 | C21 | C20 | C27 | 93.2° | 57.0° |
| C26 | C21 | C20 | C19 | 138.2° | 63.0° |
| C26 | C21 | C20 | H11 | 21.7° | 177.0° |
| C26 | C21 | C22 | H12 | 178.0° | 179.8° |
| C21 | C26 | C25 | H18 | 179.7° | 179.9° |
| F2 | C30 | C31 | C29 | 179.8° | 179.8° |
| F2 | C30 | C31 | C32 | 179.8° | 180.0° |
| F2 | C30 | C29 | C28 | 179.5° | 180.0° |
| F2 | C30 | C29 | H13 | 0.5° | 0.0° |
| F2 | C30 | C31 | H15 | 0.2° | 0.0° |
| C30 | C31 | C32 | H15 | 180.0° | 180.0° |
| C30 | C31 | C32 | C27 | 0.8° | 0.0° |
| C31 | C30 | C29 | C28 | 0.8° | 0.2° |
| C31 | C30 | C29 | H13 | 179.2° | 179.8° |
| C30 | C31 | C32 | H16 | 179.2° | 179.9° |
| C32 | C31 | C30 | C29 | 0.4° | 0.3° |
| C31 | C32 | C27 | H16 | 180.0° | 179.9° |
| C31 | C32 | C27 | C28 | 1.6° | 0.3° |
| C31 | C32 | C27 | C20 | 174.1° | 180.0° |
| C21 | C20 | C27 | C32 | 71.3° | 104.7° |
| C21 | C20 | C27 | C28 | 104.3° | 75.0° |
| C21 | C20 | C27 | C19 | 129.8° | 120.0° |
| C21 | C20 | C27 | H11 | 114.9° | 120.0° |
| C21 | C20 | C19 | H11 | 116.6° | 120.0° |
| C21 | C20 | C19 | C18 | 151.2° | 175.0° |
| C20 | C21 | C22 | H12 | 7.7° | 0.0° |
| C20 | C21 | C26 | H17 | 7.1° | 0.1° |
| C21 | C20 | C19 | H20 | 31.1° | 54.9° |
| C21 | C20 | C19 | H21 | 88.6° | 65.0° |
| C30 | C29 | C28 | H13 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H14 | 179.8° | 180.0° |
| C29 | C30 | C31 | H15 | 179.6° | 179.7° |
| C32 | C27 | C28 | C29 | 1.3° | 0.3° |
| C32 | C27 | C28 | C20 | 175.8° | 179.7° |
| C32 | C27 | C20 | C19 | 58.4° | 135.3° |
| C32 | C27 | C20 | H11 | 173.8° | 15.3° |
| C32 | C27 | C28 | H14 | 178.7° | 179.8° |
| C27 | C32 | C31 | H15 | 179.2° | 180.0° |
| C29 | C28 | C27 | H14 | 180.0° | 180.0° |
| C29 | C28 | C27 | C20 | 174.5° | 180.0° |
| C28 | C27 | C20 | C19 | 125.9° | 45.0° |
| C28 | C27 | C20 | H11 | 10.6° | 165.0° |
| C27 | C28 | C29 | H13 | 179.9° | 180.0° |
| C28 | C27 | C32 | H16 | 178.4° | 179.7° |
| C27 | C20 | C19 | H11 | 115.5° | 120.0° |
| C27 | C20 | C19 | C18 | 80.8° | 65.0° |
| C20 | C27 | C28 | H14 | 5.5° | 0.0° |
| C20 | C27 | C32 | H16 | 5.9° | 0.1° |
| C27 | C20 | C19 | H20 | 159.0° | 175.0° |
| C27 | C20 | C19 | H21 | 39.3° | 55.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C5 | C6 | C7 | H32 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.5° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H33 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C4 | C3 | H33 | 180.0° | 179.9° |
| C5 | C4 | C3 | C8 | 0.2° | 0.0° |
| C5 | C4 | C3 | S | 179.6° | 179.8° |
| C4 | C5 | C6 | H32 | 179.9° | 179.9° |
| C20 | C19 | C18 | H20 | 120.2° | 120.1° |
| C20 | C19 | C18 | H21 | 120.2° | 120.0° |
| C20 | C19 | C18 | N2 | 104.3° | 180.0° |
| C20 | C19 | C18 | O2 | 70.5° | 0.1° |
| C20 | C19 | H20 | H21 | 119.6° | 120.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.5° |
| C6 | C7 | C8 | C3 | 0.1° | 0.5° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H31 | 179.9° | 179.5° |
| C4 | C3 | C8 | C7 | 0.0° | 0.3° |
| C4 | C3 | S | O1 | 42.3° | 148.4° |
| C4 | C3 | C8 | S | 179.8° | 179.8° |
| C4 | C3 | S | N1 | 72.4° | 98.0° |
| C4 | C3 | S | O | 173.3° | 15.5° |
| C3 | C4 | C5 | H2 | 179.8° | 179.7° |
| C4 | C3 | C8 | H31 | 180.0° | 179.7° |
| C19 | C18 | N2 | O2 | 174.8° | 180.0° |
| C19 | C18 | N2 | C13 | 153.3° | 173.8° |
| C18 | C19 | C20 | H11 | 34.6° | 55.0° |
| C18 | C19 | H20 | H21 | 119.6° | 120.0° |
| C19 | C18 | N2 | H22 | 26.7° | 6.3° |
| C7 | C8 | C3 | H31 | 180.0° | 180.0° |
| C7 | C8 | C3 | S | 179.8° | 180.0° |
| C8 | C7 | C6 | H32 | 180.0° | 179.7° |
| O1 | S | C3 | C8 | 137.9° | 31.3° |
| O1 | S | C3 | N1 | 114.7° | 113.5° |
| O1 | S | C3 | O | 131.0° | 132.9° |
| O1 | S | N1 | O | 129.1° | 133.0° |
| O1 | S | N1 | C2 | 21.9° | 168.3° |
| O1 | S | N1 | C9 | 177.6° | 11.7° |
| C8 | C3 | S | N1 | 107.3° | 82.2° |
| C8 | C3 | S | O | 6.9° | 164.3° |
| C3 | C8 | C7 | H3 | 179.9° | 180.0° |
| C8 | C3 | C4 | H33 | 179.8° | 180.0° |
| C3 | S | N1 | O | 115.3° | 113.5° |
| C3 | S | N1 | C2 | 93.6° | 78.2° |
| C3 | S | N1 | C9 | 62.0° | 101.8° |
| S | C3 | C8 | H31 | 0.2° | 0.0° |
| S | C3 | C4 | H33 | 0.4° | 0.3° |
| S | N1 | C2 | C1 | 108.3° | 128.8° |
| S | N1 | C2 | C9 | 155.8° | 180.0° |
| S | N1 | C2 | C10 | 123.4° | 9.1° |
| S | N1 | C9 | C | 105.2° | 128.8° |
| S | N1 | C2 | H1 | 6.9° | 111.3° |
| S | N1 | C9 | H4 | 134.8° | 9.1° |
| S | N1 | C9 | H5 | 14.8° | 111.3° |
| O | S | N1 | C2 | 151.1° | 35.3° |
| O | S | N1 | C9 | 53.3° | 144.7° |
| C18 | N2 | C13 | H22 | 180.0° | 179.9° |
| C18 | N2 | C13 | C12 | 135.0° | 157.3° |
| C18 | N2 | C13 | C14 | 29.7° | 22.8° |
| N2 | C18 | C19 | H20 | 135.5° | 59.9° |
| N2 | C18 | C19 | H21 | 15.9° | 60.0° |
| O2 | C18 | N2 | C13 | 31.9° | 6.2° |
| O2 | C18 | C19 | H20 | 49.6° | 120.0° |
| O2 | C18 | C19 | H21 | 169.3° | 120.0° |
| O2 | C18 | N2 | H22 | 148.1° | 173.7° |
| C2 | C1 | N | H25 | 120.3° | 120.0° |
| C2 | C1 | N | H26 | 120.3° | 119.9° |
| C1 | C2 | N1 | C10 | 128.4° | 119.7° |
| C1 | C2 | N1 | H1 | 115.2° | 120.0° |
| C1 | C2 | C10 | H1 | 115.5° | 120.6° |
| C1 | C2 | N1 | C9 | 47.5° | 51.2° |
| C2 | C1 | N | C | 56.2° | 63.1° |
| C1 | C2 | C10 | C11 | 160.0° | 67.6° |
| C1 | C2 | C10 | H6 | 79.4° | 172.4° |
| C1 | C2 | C10 | H7 | 39.4° | 52.4° |
| C2 | C1 | H25 | H26 | 119.2° | 120.1° |
| C2 | C1 | N | H27 | 176.6° | 61.0° |
| N | C1 | C2 | N1 | 47.7° | 53.9° |
| N | C1 | C2 | C10 | 81.4° | 173.5° |
| C1 | N | C | H27 | 120.4° | 124.1° |
| C1 | N | C | C9 | 60.8° | 63.1° |
| N | C1 | C2 | H1 | 163.1° | 66.0° |
| N | C1 | H25 | H26 | 119.2° | 120.1° |
| C1 | N | C | H29 | 59.3° | 56.9° |
| C1 | N | C | H30 | 179.2° | 176.9° |
| N1 | C2 | C10 | H1 | 116.7° | 120.4° |
| N1 | C2 | C10 | C11 | 72.2° | 173.3° |
| C2 | N1 | C9 | C | 51.5° | 51.2° |
| C2 | N1 | C9 | H4 | 68.5° | 170.9° |
| C2 | N1 | C9 | H5 | 171.5° | 68.7° |
| N1 | C2 | C10 | H6 | 48.4° | 53.4° |
| N1 | C2 | C10 | H7 | 167.3° | 66.6° |
| N1 | C2 | C1 | H25 | 72.6° | 173.8° |
| N1 | C2 | C1 | H26 | 167.9° | 66.1° |
| C10 | C2 | N1 | C9 | 80.9° | 170.9° |
| C2 | C10 | C11 | H6 | 120.6° | 120.0° |
| C2 | C10 | C11 | H7 | 120.6° | 120.1° |
| C2 | C10 | C11 | C12 | 174.9° | 176.7° |
| C2 | C10 | H6 | H7 | 118.3° | 120.0° |
| C2 | C10 | C11 | H8 | 64.6° | 56.7° |
| C2 | C10 | C11 | H9 | 54.4° | 63.3° |
| C10 | C2 | C1 | H25 | 158.3° | 66.5° |
| C10 | C2 | C1 | H26 | 38.8° | 53.6° |
| N2 | C13 | C12 | C11 | 11.0° | 0.0° |
| N2 | C13 | C12 | C14 | 165.1° | 179.9° |
| N2 | C13 | C12 | C17 | 165.3° | 179.7° |
| N2 | C13 | C14 | C15 | 164.3° | 179.9° |
| N2 | C13 | C14 | H23 | 15.7° | 0.1° |
| N1 | C9 | C | N | 56.1° | 53.8° |
| N1 | C9 | C | H4 | 120.0° | 119.7° |
| N1 | C9 | C | H5 | 120.0° | 119.8° |
| C9 | N1 | C2 | H1 | 162.7° | 68.7° |
| N1 | C9 | H4 | H5 | 120.0° | 120.4° |
| N1 | C9 | C | H29 | 64.0° | 66.1° |
| N1 | C9 | C | H30 | 176.1° | 173.8° |
| N | C | C9 | H29 | 120.1° | 120.0° |
| N | C | C9 | H30 | 120.1° | 119.9° |
| N | C | C9 | H4 | 63.9° | 173.6° |
| N | C | C9 | H5 | 176.1° | 66.0° |
| C | N | C1 | H25 | 64.0° | 177.0° |
| C | N | C1 | H26 | 176.5° | 56.8° |
| N | C | H29 | H30 | 119.7° | 120.0° |
| C10 | C11 | C12 | H8 | 120.5° | 120.0° |
| C10 | C11 | C12 | H9 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 101.8° | 94.4° |
| C10 | C11 | C12 | C17 | 74.3° | 85.3° |
| C11 | C10 | C2 | H1 | 44.5° | 52.9° |
| C11 | C10 | H6 | H7 | 118.3° | 120.0° |
| C10 | C11 | H8 | H9 | 118.5° | 120.0° |
| C11 | C12 | C13 | C17 | 176.3° | 179.7° |
| C11 | C12 | C13 | C14 | 176.1° | 180.0° |
| C11 | C12 | C17 | F | 1.2° | 0.0° |
| C11 | C12 | C17 | C16 | 176.8° | 180.0° |
| C12 | C11 | C10 | H6 | 54.3° | 63.3° |
| C12 | C11 | C10 | H7 | 64.5° | 56.7° |
| C12 | C11 | H8 | H9 | 118.5° | 120.0° |
| C | C9 | H4 | H5 | 120.0° | 120.6° |
| C9 | C | N | H27 | 178.9° | 61.0° |
| C9 | C | H29 | H30 | 119.7° | 120.1° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C13 | C12 | C17 | F | 177.5° | 179.7° |
| C13 | C12 | C17 | C16 | 0.5° | 0.3° |
| C13 | C12 | C11 | H8 | 18.7° | 145.6° |
| C13 | C12 | C11 | H9 | 137.7° | 25.6° |
| C12 | C13 | N2 | H22 | 45.0° | 22.7° |
| C12 | C13 | C14 | H23 | 179.3° | 180.0° |
| C14 | C13 | C12 | C17 | 0.2° | 0.3° |
| C13 | C14 | C15 | H23 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C13 | C14 | C15 | H10 | 179.4° | 180.0° |
| C14 | C13 | N2 | H22 | 150.4° | 157.3° |
| C12 | C17 | F | C16 | 178.1° | 180.0° |
| C12 | C17 | C16 | C15 | 0.6° | 0.0° |
| C17 | C12 | C11 | H8 | 165.2° | 34.6° |
| C17 | C12 | C11 | H9 | 46.2° | 154.7° |
| C12 | C17 | C16 | H24 | 179.4° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | H24 | 180.0° | 179.8° |
| F | C17 | C16 | C15 | 177.3° | 179.9° |
| F | C17 | C16 | H24 | 2.7° | 0.1° |
| C17 | C16 | C15 | H24 | 180.0° | 180.0° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C16 | C15 | C14 | H23 | 179.4° | 179.8° |
| H1 | C2 | C10 | H6 | 165.1° | 67.1° |
| H1 | C2 | C10 | H7 | 76.1° | 173.0° |
| H1 | C2 | C1 | H25 | 42.8° | 53.9° |
| H1 | C2 | C1 | H26 | 76.7° | 174.0° |
| H2 | C5 | C6 | H32 | 0.1° | 0.2° |
| H2 | C5 | C4 | H33 | 0.3° | 0.3° |
| H3 | C7 | C8 | H31 | 0.1° | 0.0° |
| H3 | C7 | C6 | H32 | 0.0° | 0.2° |
| H4 | C9 | C | H29 | 176.0° | 53.6° |
| H4 | C9 | C | H30 | 56.1° | 66.5° |
| H5 | C9 | C | H29 | 56.0° | 174.0° |
| H5 | C9 | C | H30 | 63.8° | 53.9° |
| H6 | C10 | C11 | H8 | 174.8° | 176.7° |
| H6 | C10 | C11 | H9 | 66.1° | 56.7° |
| H7 | C10 | C11 | H8 | 56.0° | 63.3° |
| H7 | C10 | C11 | H9 | 175.0° | 176.7° |
| H10 | C15 | C14 | H23 | 0.6° | 0.0° |
| H10 | C15 | C16 | H24 | 0.0° | 0.0° |
| H11 | C20 | C19 | H20 | 85.5° | 65.0° |
| H11 | C20 | C19 | H21 | 154.8° | 175.0° |
| H12 | C22 | C23 | H19 | 0.7° | 0.2° |
| H13 | C29 | C28 | H14 | 0.2° | 0.0° |
| H15 | C31 | C32 | H16 | 0.8° | 0.0° |
| H17 | C26 | C25 | H18 | 0.3° | 0.0° |
| H25 | C1 | N | H27 | 56.4° | 58.9° |
| H26 | C1 | N | H27 | 63.1° | 179.0° |
| H27 | N | C | H29 | 61.1° | 179.0° |
| H27 | N | C | H30 | 58.8° | 59.0° |
