A1CTF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | S1 | sing | 1.82Å | 1.65Å | |
| C13 | C12 | sing | 1.53Å | 1.62Å | |
| O2 | S1 | doub | 1.42Å | 1.39Å | |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| CL3 | C28 | sing | 1.74Å | 1.74Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | C14 | sing | 1.82Å | 1.61Å | |
| C12 | N3 | sing | 1.46Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | doub | 1.39Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.57Å | |
| C4 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| N3 | C11 | sing | 1.47Å | 1.41Å | |
| N3 | C15 | sing | 1.46Å | 1.40Å | |
| C28 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | N2 | sing | 1.48Å | 1.41Å | |
| C16 | C11 | sing | 1.54Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.53Å | 1.62Å | |
| N2 | C8 | sing | 1.47Å | 1.29Å | |
| N2 | C9 | sing | 1.49Å | 1.52Å | |
| C20 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| C20 | N4 | sing | 1.38Å | 1.29Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.60Å | |
| C11 | C10 | sing | 1.55Å | 1.48Å | |
| C3 | N1 | sing | 1.36Å | 1.52Å | Aromatic |
| CL2 | C26 | sing | 1.74Å | 1.72Å | |
| C26 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.55Å | 1.59Å | |
| C23 | N5 | sing | 1.40Å | 1.47Å | |
| C23 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| N5 | C22 | sing | 1.35Å | 1.43Å | |
| N4 | C21 | sing | 1.47Å | 1.43Å | |
| N4 | C2 | sing | 1.36Å | 1.29Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.56Å | |
| C22 | O3 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | doub | 1.30Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | CL1 | sing | 1.74Å | 1.72Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C13 | C12 | 114.1° | 108.7° |
| C13 | S1 | O2 | 109.4° | 108.7° |
| C13 | S1 | O1 | 103.4° | 108.7° |
| C13 | S1 | C14 | 106.6° | 101.0° |
| S1 | C13 | H19 | 108.3° | 109.6° |
| S1 | C13 | H20 | 108.3° | 109.6° |
| C13 | C12 | N3 | 115.2° | 109.9° |
| C12 | C13 | H19 | 108.3° | 109.6° |
| C12 | C13 | H20 | 108.3° | 109.6° |
| C13 | C12 | H22 | 108.0° | 109.4° |
| C13 | C12 | H21 | 108.0° | 109.4° |
| O2 | S1 | O1 | 116.8° | 119.3° |
| O2 | S1 | C14 | 112.2° | 108.7° |
| C17 | C18 | C19 | 119.6° | 120.5° |
| C18 | C17 | C4 | 120.5° | 120.7° |
| C18 | C17 | H25 | 119.8° | 119.6° |
| C17 | C18 | H26 | 120.2° | 119.8° |
| C18 | C19 | C20 | 120.2° | 119.7° |
| C19 | C18 | H26 | 120.2° | 119.8° |
| C18 | C19 | H27 | 119.9° | 120.2° |
| C17 | C4 | C5 | 122.2° | 120.1° |
| C17 | C4 | C3 | 120.7° | 119.9° |
| C4 | C17 | H25 | 119.7° | 119.7° |
| CL3 | C28 | C27 | 123.7° | 120.0° |
| CL3 | C28 | C23 | 117.8° | 120.0° |
| O1 | S1 | C14 | 107.8° | 108.8° |
| S1 | C14 | C15 | 117.7° | 108.7° |
| S1 | C14 | H17 | 107.4° | 109.6° |
| S1 | C14 | H18 | 107.4° | 109.8° |
| C12 | N3 | C11 | 117.9° | 111.0° |
| C12 | N3 | C15 | 113.0° | 112.5° |
| N3 | C12 | H22 | 108.0° | 109.4° |
| N3 | C12 | H21 | 108.0° | 109.4° |
| C5 | C6 | C7 | 64.5° | 60.0° |
| C6 | C5 | C4 | 113.3° | 117.5° |
| C6 | C5 | C7 | 57.3° | 60.0° |
| C6 | C5 | H4 | 115.9° | 117.5° |
| C5 | C6 | H5 | 119.2° | 117.5° |
| C5 | C6 | H6 | 119.2° | 117.5° |
| C6 | C7 | C5 | 58.2° | 60.0° |
| C6 | C7 | C8 | 115.0° | 117.5° |
| C7 | C6 | H5 | 119.2° | 117.5° |
| C7 | C6 | H6 | 119.2° | 117.5° |
| C6 | C7 | H7 | 118.9° | 117.5° |
| C19 | C20 | C3 | 121.4° | 119.8° |
| C19 | C20 | N4 | 137.9° | 134.2° |
| C20 | C19 | H27 | 119.9° | 120.1° |
| C5 | C4 | C3 | 116.8° | 120.0° |
| C4 | C5 | C7 | 127.3° | 117.5° |
| C4 | C5 | H4 | 115.1° | 115.5° |
| C4 | C3 | C20 | 117.6° | 119.5° |
| C4 | C3 | N1 | 136.4° | 133.6° |
| C28 | C27 | C26 | 118.5° | 120.1° |
| C27 | C28 | C23 | 118.3° | 120.0° |
| C28 | C27 | H32 | 120.7° | 120.0° |
| C27 | C26 | CL2 | 120.2° | 120.0° |
| C27 | C26 | C25 | 123.9° | 120.1° |
| C26 | C27 | H32 | 120.7° | 119.9° |
| C11 | N3 | C15 | 114.5° | 111.0° |
| N3 | C11 | C16 | 117.3° | 110.4° |
| N3 | C11 | C10 | 114.8° | 110.3° |
| N3 | C11 | H14 | 106.9° | 110.3° |
| N3 | C15 | C14 | 118.6° | 109.8° |
| N3 | C15 | H15 | 107.1° | 109.4° |
| N3 | C15 | H16 | 107.1° | 109.3° |
| C28 | C23 | N5 | 117.1° | 120.1° |
| C28 | C23 | C24 | 121.2° | 119.8° |
| N2 | C16 | C11 | 110.3° | 107.1° |
| C16 | N2 | C8 | 116.4° | 111.0° |
| C16 | N2 | C9 | 107.6° | 105.8° |
| N2 | C16 | H23 | 109.3° | 109.9° |
| N2 | C16 | H24 | 109.3° | 109.9° |
| C16 | C11 | C10 | 105.4° | 105.2° |
| C16 | C11 | H14 | 105.4° | 110.3° |
| C11 | C16 | H23 | 109.3° | 110.0° |
| C11 | C16 | H24 | 109.3° | 109.9° |
| C15 | C14 | H17 | 107.4° | 109.5° |
| C15 | C14 | H18 | 107.4° | 109.6° |
| C14 | C15 | H15 | 107.1° | 109.4° |
| C14 | C15 | H16 | 107.1° | 109.4° |
| C5 | C7 | C8 | 118.1° | 117.5° |
| C7 | C5 | H4 | 114.2° | 117.5° |
| C5 | C7 | H7 | 116.7° | 117.5° |
| C8 | N2 | C9 | 112.3° | 111.0° |
| N2 | C8 | C7 | 114.4° | 109.5° |
| N2 | C8 | H8 | 108.2° | 109.5° |
| N2 | C8 | H9 | 108.2° | 109.4° |
| N2 | C9 | C10 | 103.5° | 103.2° |
| N2 | C9 | H10 | 111.0° | 110.7° |
| N2 | C9 | H11 | 110.9° | 110.8° |
| C3 | C20 | N4 | 100.7° | 106.0° |
| C20 | C3 | N1 | 106.0° | 106.9° |
| C20 | N4 | C21 | 118.7° | 126.3° |
| C20 | N4 | C2 | 123.1° | 107.3° |
| C8 | C7 | H7 | 117.0° | 115.6° |
| C7 | C8 | H8 | 108.2° | 109.5° |
| C7 | C8 | H9 | 108.2° | 109.5° |
| C11 | C10 | C9 | 103.7° | 102.9° |
| C11 | C10 | H13 | 110.9° | 110.7° |
| C11 | C10 | H12 | 110.9° | 110.9° |
| C10 | C11 | H14 | 106.1° | 110.3° |
| C3 | N1 | C2 | 104.8° | 109.6° |
| CL2 | C26 | C25 | 115.8° | 119.9° |
| C26 | C25 | C24 | 117.0° | 120.0° |
| C26 | C25 | H31 | 121.5° | 119.9° |
| C9 | C10 | H13 | 110.9° | 110.8° |
| C9 | C10 | H12 | 110.9° | 110.7° |
| C10 | C9 | H10 | 110.9° | 110.6° |
| C10 | C9 | H11 | 110.9° | 110.6° |
| N5 | C23 | C24 | 121.6° | 120.1° |
| C23 | N5 | C22 | 125.4° | 120.0° |
| C23 | N5 | H30 | 117.3° | 120.0° |
| C23 | C24 | C25 | 121.1° | 120.0° |
| C23 | C24 | CL1 | 121.8° | 120.0° |
| N5 | C22 | C21 | 117.0° | 120.0° |
| N5 | C22 | O3 | 119.0° | 120.0° |
| C22 | N5 | H30 | 117.3° | 120.0° |
| C21 | N4 | C2 | 118.3° | 126.4° |
| N4 | C21 | C22 | 105.1° | 109.5° |
| N4 | C21 | H28 | 110.5° | 109.5° |
| N4 | C21 | H29 | 110.5° | 109.4° |
| N4 | C2 | N1 | 105.4° | 110.1° |
| N4 | C2 | C1 | 127.1° | 125.0° |
| C21 | C22 | O3 | 123.9° | 120.0° |
| C22 | C21 | H28 | 110.5° | 109.5° |
| C22 | C21 | H29 | 110.6° | 109.5° |
| N1 | C2 | C1 | 127.5° | 124.9° |
| C25 | C24 | CL1 | 117.1° | 120.0° |
| C24 | C25 | H31 | 121.5° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 110.6° |
| H19 | C13 | H20 | 109.5° | 109.7° |
| H17 | C14 | H18 | 109.5° | 109.6° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H22 | C12 | H21 | 109.5° | 109.3° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 110.1° |
| H5 | C6 | H6 | 109.5° | 115.6° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C13 | C12 | H19 | 120.7° | 119.8° |
| S1 | C13 | C12 | H20 | 120.7° | 119.8° |
| C13 | S1 | O2 | O1 | 116.9° | 125.4° |
| C13 | S1 | O2 | C14 | 118.0° | 109.1° |
| C13 | S1 | O1 | C14 | 112.6° | 109.2° |
| S1 | C13 | C12 | N3 | 50.3° | 62.6° |
| C13 | S1 | C14 | C15 | 36.2° | 52.4° |
| S1 | C13 | H19 | H20 | 117.9° | 120.4° |
| C13 | S1 | C14 | H17 | 85.0° | 172.1° |
| C13 | S1 | C14 | H18 | 157.4° | 67.5° |
| S1 | C13 | C12 | H22 | 70.5° | 57.5° |
| S1 | C13 | C12 | H21 | 171.1° | 177.2° |
| C12 | C13 | S1 | O2 | 160.5° | 166.5° |
| C12 | C13 | S1 | O1 | 74.4° | 62.1° |
| C12 | C13 | S1 | C14 | 39.0° | 52.3° |
| C13 | C12 | N3 | H22 | 120.8° | 120.1° |
| C13 | C12 | N3 | H21 | 120.8° | 120.2° |
| C13 | C12 | N3 | C11 | 169.3° | 163.0° |
| C13 | C12 | N3 | C15 | 53.5° | 72.0° |
| C12 | C13 | H19 | H20 | 117.9° | 120.4° |
| C13 | C12 | H22 | H21 | 117.4° | 119.8° |
| O2 | S1 | O1 | C14 | 127.3° | 125.4° |
| O2 | S1 | C14 | C15 | 155.9° | 166.6° |
| O2 | S1 | C13 | H19 | 78.8° | 46.8° |
| O2 | S1 | C13 | H20 | 39.8° | 73.7° |
| O2 | S1 | C14 | H17 | 34.7° | 73.7° |
| O2 | S1 | C14 | H18 | 83.0° | 46.7° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C18 | C17 | C4 | H25 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C4 | C5 | 174.4° | 179.7° |
| C18 | C17 | C4 | C3 | 1.6° | 0.0° |
| C17 | C18 | C19 | H27 | 179.9° | 179.9° |
| C19 | C18 | C17 | C4 | 0.7° | 0.0° |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C18 | C19 | C20 | C3 | 0.1° | 0.0° |
| C18 | C19 | C20 | N4 | 179.3° | 180.0° |
| C19 | C18 | C17 | H25 | 179.2° | 179.7° |
| C17 | C4 | C5 | C6 | 7.9° | 8.6° |
| C17 | C4 | C5 | C3 | 173.1° | 179.7° |
| C17 | C4 | C5 | C7 | 73.6° | 60.0° |
| C17 | C4 | C3 | C20 | 1.5° | 0.0° |
| C17 | C4 | C3 | N1 | 179.8° | 180.0° |
| C4 | C17 | C18 | H26 | 179.2° | 180.0° |
| C17 | C4 | C5 | H4 | 128.7° | 154.3° |
| CL3 | C28 | C27 | C23 | 176.1° | 180.0° |
| CL3 | C28 | C27 | C26 | 176.1° | 180.0° |
| CL3 | C28 | C23 | N5 | 0.4° | 0.0° |
| CL3 | C28 | C23 | C24 | 176.3° | 180.0° |
| CL3 | C28 | C27 | H32 | 3.9° | 0.3° |
| O1 | S1 | C14 | C15 | 74.2° | 62.0° |
| O1 | S1 | C13 | H19 | 46.3° | 178.2° |
| O1 | S1 | C13 | H20 | 164.9° | 57.7° |
| O1 | S1 | C14 | H17 | 164.6° | 57.7° |
| O1 | S1 | C14 | H18 | 46.9° | 178.1° |
| S1 | C14 | C15 | N3 | 44.2° | 62.7° |
| S1 | C14 | C15 | H17 | 121.2° | 119.7° |
| S1 | C14 | C15 | H18 | 121.2° | 120.0° |
| C14 | S1 | C13 | H19 | 159.7° | 67.4° |
| C14 | S1 | C13 | H20 | 81.7° | 172.1° |
| S1 | C14 | H17 | H18 | 116.3° | 120.5° |
| S1 | C14 | C15 | H15 | 77.1° | 177.3° |
| S1 | C14 | C15 | H16 | 165.5° | 57.3° |
| C12 | N3 | C11 | C15 | 136.6° | 125.9° |
| C12 | N3 | C11 | C16 | 64.4° | 177.2° |
| C12 | N3 | C15 | C14 | 50.5° | 72.0° |
| C12 | N3 | C11 | C10 | 60.2° | 61.4° |
| C12 | N3 | C11 | H14 | 177.6° | 60.6° |
| N3 | C12 | C13 | H19 | 171.0° | 57.1° |
| N3 | C12 | C13 | H20 | 70.4° | 177.6° |
| N3 | C12 | H22 | H21 | 117.4° | 119.7° |
| C12 | N3 | C15 | H15 | 70.8° | 167.9° |
| C12 | N3 | C15 | H16 | 171.8° | 48.1° |
| C5 | C6 | C7 | H5 | 110.7° | 107.5° |
| C5 | C6 | C7 | H6 | 110.7° | 107.5° |
| C6 | C5 | C4 | C7 | 65.7° | 68.6° |
| C6 | C5 | C4 | H4 | 136.6° | 145.6° |
| C6 | C5 | C4 | C3 | 165.2° | 171.7° |
| C6 | C5 | C7 | H4 | 106.2° | 107.5° |
| C5 | C6 | C7 | C8 | 108.8° | 107.5° |
| C5 | C6 | H5 | H6 | 142.3° | 145.7° |
| C5 | C6 | C7 | H7 | 105.2° | 107.5° |
| C6 | C7 | C8 | N2 | 84.7° | 116.4° |
| C6 | C7 | C8 | H7 | 146.7° | 145.7° |
| C7 | C6 | H5 | H6 | 142.3° | 145.7° |
| C6 | C7 | C8 | H8 | 36.0° | 123.6° |
| C6 | C7 | C8 | H9 | 154.6° | 3.6° |
| C19 | C20 | C3 | C4 | 0.7° | 0.0° |
| C19 | C20 | C3 | N4 | 179.4° | 180.0° |
| C19 | C20 | C3 | N1 | 179.8° | 180.0° |
| C19 | C20 | N4 | C21 | 0.7° | 0.0° |
| C19 | C20 | N4 | C2 | 179.3° | 180.0° |
| C20 | C19 | C18 | H26 | 179.9° | 179.9° |
| C4 | C5 | C7 | H4 | 157.8° | 145.1° |
| C5 | C4 | C3 | C20 | 174.6° | 179.7° |
| C4 | C5 | C7 | C8 | 7.6° | 0.0° |
| C5 | C4 | C3 | N1 | 6.6° | 0.3° |
| C5 | C4 | C17 | H25 | 5.6° | 0.0° |
| C4 | C5 | C6 | H5 | 9.8° | 0.0° |
| C4 | C5 | C6 | H6 | 128.9° | 145.0° |
| C4 | C5 | C7 | H7 | 155.2° | 145.1° |
| C3 | C4 | C5 | C7 | 99.4° | 119.7° |
| C4 | C3 | C20 | N1 | 179.1° | 180.0° |
| C4 | C3 | C20 | N4 | 178.8° | 180.0° |
| C4 | C3 | N1 | C2 | 178.4° | 180.0° |
| C3 | C4 | C17 | H25 | 178.4° | 179.7° |
| C3 | C4 | C5 | H4 | 58.3° | 26.0° |
| C28 | C27 | C26 | H32 | 180.0° | 179.7° |
| C28 | C27 | C26 | CL2 | 178.4° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C27 | C28 | C23 | N5 | 176.8° | 180.0° |
| C27 | C28 | C23 | C24 | 0.1° | 0.1° |
| C26 | C27 | C28 | C23 | 0.1° | 0.1° |
| C27 | C26 | CL2 | C25 | 178.4° | 179.9° |
| C27 | C26 | C25 | C24 | 0.3° | 0.1° |
| C27 | C26 | C25 | H31 | 179.7° | 180.0° |
| N3 | C11 | C16 | N2 | 140.1° | 117.8° |
| N3 | C11 | C16 | C10 | 129.2° | 119.0° |
| N3 | C11 | C16 | H14 | 118.8° | 122.1° |
| C11 | N3 | C15 | C14 | 170.7° | 163.0° |
| N3 | C11 | C10 | H14 | 117.8° | 122.1° |
| N3 | C11 | C10 | C9 | 155.9° | 141.0° |
| N3 | C11 | C10 | H13 | 85.0° | 100.6° |
| N3 | C11 | C10 | H12 | 36.9° | 22.6° |
| C11 | N3 | C12 | H22 | 69.9° | 76.9° |
| C11 | N3 | C12 | H21 | 48.4° | 42.8° |
| C11 | N3 | C15 | H15 | 68.0° | 42.9° |
| C11 | N3 | C15 | H16 | 49.5° | 76.9° |
| N3 | C11 | C16 | H23 | 99.8° | 1.6° |
| N3 | C11 | C16 | H24 | 19.9° | 122.9° |
| C15 | N3 | C11 | C16 | 159.0° | 56.9° |
| N3 | C15 | C14 | H15 | 121.3° | 120.1° |
| N3 | C15 | C14 | H16 | 121.3° | 120.0° |
| C15 | N3 | C11 | C10 | 76.4° | 172.7° |
| C15 | N3 | C11 | H14 | 41.0° | 65.2° |
| N3 | C15 | C14 | H17 | 77.0° | 177.6° |
| N3 | C15 | C14 | H18 | 165.4° | 57.3° |
| C15 | N3 | C12 | H22 | 67.3° | 48.2° |
| C15 | N3 | C12 | H21 | 174.4° | 167.9° |
| N3 | C15 | H15 | H16 | 115.8° | 119.7° |
| C28 | C23 | N5 | C24 | 176.7° | 180.0° |
| C28 | C23 | N5 | C22 | 111.1° | 91.1° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C24 | CL1 | 179.6° | 180.0° |
| C23 | C28 | C27 | H32 | 179.9° | 179.7° |
| C28 | C23 | N5 | H30 | 68.9° | 88.9° |
| N2 | C16 | C11 | H23 | 120.1° | 119.3° |
| N2 | C16 | C11 | H24 | 120.1° | 119.3° |
| C16 | N2 | C8 | C9 | 124.7° | 117.4° |
| C16 | N2 | C8 | C7 | 165.2° | 170.0° |
| N2 | C16 | C11 | C10 | 10.8° | 1.2° |
| C16 | N2 | C9 | C10 | 24.7° | 39.2° |
| N2 | C16 | C11 | H14 | 101.1° | 120.1° |
| N2 | C16 | H23 | H24 | 119.6° | 121.2° |
| C16 | N2 | C8 | H8 | 44.4° | 70.0° |
| C16 | N2 | C8 | H9 | 74.1° | 50.0° |
| C16 | N2 | C9 | H10 | 143.8° | 79.2° |
| C16 | N2 | C9 | H11 | 94.3° | 157.7° |
| C11 | C16 | N2 | C8 | 136.5° | 145.8° |
| C11 | C16 | N2 | C9 | 9.5° | 25.3° |
| C16 | C11 | C10 | H14 | 111.4° | 118.9° |
| C16 | C11 | C10 | C9 | 25.2° | 22.0° |
| C16 | C11 | C10 | H13 | 144.3° | 140.3° |
| C16 | C11 | C10 | H12 | 93.8° | 96.5° |
| C11 | C16 | H23 | H24 | 119.6° | 121.2° |
| C15 | C14 | H17 | H18 | 116.2° | 120.3° |
| C14 | C15 | H15 | H16 | 115.9° | 119.9° |
| C5 | C7 | C8 | N2 | 150.5° | 175.0° |
| C5 | C7 | C8 | H7 | 147.5° | 145.7° |
| C5 | C7 | C8 | H8 | 29.8° | 55.0° |
| C5 | C7 | C8 | H9 | 88.8° | 65.0° |
| N2 | C8 | C7 | H8 | 120.7° | 120.0° |
| N2 | C8 | C7 | H9 | 120.7° | 120.0° |
| C8 | N2 | C9 | C10 | 154.1° | 159.7° |
| C8 | N2 | C16 | H23 | 16.4° | 94.8° |
| C8 | N2 | C16 | H24 | 103.3° | 26.5° |
| N2 | C8 | C7 | H7 | 62.0° | 29.3° |
| N2 | C8 | H8 | H9 | 117.7° | 119.9° |
| C8 | N2 | C9 | H10 | 86.8° | 41.3° |
| C8 | N2 | C9 | H11 | 35.0° | 81.8° |
| C9 | N2 | C8 | C7 | 70.1° | 72.6° |
| N2 | C9 | C10 | C11 | 30.8° | 37.4° |
| N2 | C9 | C10 | H10 | 119.1° | 118.4° |
| N2 | C9 | C10 | H11 | 119.0° | 118.6° |
| N2 | C9 | C10 | H13 | 149.9° | 155.8° |
| N2 | C9 | C10 | H12 | 88.2° | 81.1° |
| C9 | N2 | C16 | H23 | 110.7° | 144.7° |
| C9 | N2 | C16 | H24 | 129.6° | 94.0° |
| C9 | N2 | C8 | H8 | 169.1° | 47.4° |
| C9 | N2 | C8 | H9 | 50.6° | 167.4° |
| N2 | C9 | H10 | H11 | 122.7° | 123.2° |
| C3 | C20 | N4 | C21 | 180.0° | 179.9° |
| C3 | C20 | N4 | C2 | 0.0° | 0.0° |
| C20 | C3 | N1 | C2 | 0.5° | 0.0° |
| C3 | C20 | C19 | H27 | 179.9° | 179.9° |
| N4 | C20 | C3 | N1 | 0.3° | 0.0° |
| C20 | N4 | C21 | C2 | 179.9° | 179.9° |
| C20 | N4 | C21 | C22 | 77.7° | 90.0° |
| C20 | N4 | C2 | N1 | 0.3° | 0.0° |
| C20 | N4 | C2 | C1 | 179.5° | 180.0° |
| C20 | N4 | C21 | H28 | 163.0° | 30.0° |
| C20 | N4 | C21 | H29 | 41.6° | 150.0° |
| N4 | C20 | C19 | H27 | 0.7° | 0.1° |
| C8 | C7 | C5 | H4 | 150.3° | 145.0° |
| C8 | C7 | C6 | H5 | 1.9° | 0.0° |
| C8 | C7 | C6 | H6 | 140.6° | 145.0° |
| C7 | C8 | H8 | H9 | 117.7° | 120.0° |
| C11 | C10 | C9 | H13 | 119.1° | 118.4° |
| C11 | C10 | C9 | H12 | 119.0° | 118.5° |
| C11 | C10 | H13 | H12 | 122.6° | 123.3° |
| C10 | C11 | C16 | H23 | 131.0° | 120.6° |
| C10 | C11 | C16 | H24 | 109.3° | 118.1° |
| C11 | C10 | C9 | H10 | 149.9° | 81.0° |
| C11 | C10 | C9 | H11 | 88.2° | 156.0° |
| C3 | N1 | C2 | N4 | 0.5° | 0.0° |
| C3 | N1 | C2 | C1 | 179.3° | 180.0° |
| CL2 | C26 | C25 | C24 | 178.7° | 180.0° |
| CL2 | C26 | C27 | H32 | 1.6° | 0.4° |
| CL2 | C26 | C25 | H31 | 1.3° | 0.1° |
| C26 | C25 | C24 | C23 | 0.3° | 0.1° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C26 | C25 | C24 | CL1 | 179.5° | 180.0° |
| C25 | C26 | C27 | H32 | 179.9° | 179.8° |
| C9 | C10 | H13 | H12 | 122.7° | 123.2° |
| C9 | C10 | C11 | H14 | 86.2° | 97.0° |
| C10 | C9 | H10 | H11 | 122.7° | 123.0° |
| C23 | N5 | C22 | H30 | 180.0° | 180.0° |
| C23 | N5 | C22 | C21 | 177.5° | 175.0° |
| C23 | N5 | C22 | O3 | 0.9° | 5.0° |
| N5 | C23 | C24 | C25 | 176.4° | 180.0° |
| N5 | C23 | C24 | CL1 | 3.8° | 0.1° |
| C24 | C23 | N5 | C22 | 72.2° | 88.9° |
| C23 | C24 | C25 | CL1 | 179.7° | 179.9° |
| C23 | C24 | C25 | H31 | 179.7° | 180.0° |
| C24 | C23 | N5 | H30 | 107.8° | 91.1° |
| N5 | C22 | C21 | N4 | 147.7° | 180.0° |
| N5 | C22 | C21 | O3 | 176.4° | 180.0° |
| N5 | C22 | C21 | H28 | 93.0° | 60.0° |
| N5 | C22 | C21 | H29 | 28.4° | 60.0° |
| N4 | C21 | C22 | H28 | 119.3° | 120.0° |
| N4 | C21 | C22 | H29 | 119.3° | 120.0° |
| N4 | C21 | C22 | O3 | 28.7° | 0.0° |
| C21 | N4 | C2 | N1 | 179.6° | 180.0° |
| C21 | N4 | C2 | C1 | 0.6° | 0.1° |
| N4 | C21 | H28 | H29 | 122.0° | 120.0° |
| C2 | N4 | C21 | C22 | 102.2° | 89.9° |
| N4 | C2 | N1 | C1 | 179.8° | 180.0° |
| C2 | N4 | C21 | H28 | 17.1° | 150.1° |
| C2 | N4 | C21 | H29 | 138.4° | 30.1° |
| N4 | C2 | C1 | H2 | 179.8° | 89.9° |
| N4 | C2 | C1 | H3 | 59.8° | 30.0° |
| N4 | C2 | C1 | H1 | 60.2° | 150.1° |
| C22 | C21 | H28 | H29 | 122.0° | 120.0° |
| C21 | C22 | N5 | H30 | 2.5° | 5.0° |
| O3 | C22 | C21 | H28 | 90.6° | 120.0° |
| O3 | C22 | C21 | H29 | 148.0° | 120.0° |
| O3 | C22 | N5 | H30 | 179.2° | 175.0° |
| N1 | C2 | C1 | H2 | 0.0° | 90.0° |
| N1 | C2 | C1 | H3 | 120.0° | 150.0° |
| N1 | C2 | C1 | H1 | 120.0° | 30.0° |
| CL1 | C24 | C25 | H31 | 0.5° | 0.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H13 | C10 | C11 | H14 | 32.9° | 21.4° |
| H13 | C10 | C9 | H10 | 91.0° | 37.3° |
| H13 | C10 | C9 | H11 | 30.9° | 85.6° |
| H12 | C10 | C11 | H14 | 154.7° | 144.6° |
| H12 | C10 | C9 | H10 | 30.8° | 160.5° |
| H12 | C10 | C9 | H11 | 152.7° | 37.5° |
| H14 | C11 | C16 | H23 | 19.0° | 120.5° |
| H14 | C11 | C16 | H24 | 138.8° | 0.8° |
| H19 | C13 | C12 | H22 | 50.2° | 177.3° |
| H19 | C13 | C12 | H21 | 68.2° | 63.0° |
| H20 | C13 | C12 | H22 | 168.8° | 62.3° |
| H20 | C13 | C12 | H21 | 50.4° | 57.5° |
| H17 | C14 | C15 | H15 | 161.7° | 57.5° |
| H17 | C14 | C15 | H16 | 44.3° | 62.4° |
| H18 | C14 | C15 | H15 | 44.1° | 62.8° |
| H18 | C14 | C15 | H16 | 73.3° | 177.3° |
| H25 | C17 | C18 | H26 | 0.8° | 0.4° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H26 | C18 | C19 | H27 | 0.1° | 0.0° |
| H4 | C5 | C6 | H5 | 146.0° | 145.0° |
| H4 | C5 | C6 | H6 | 7.3° | 0.1° |
| H4 | C5 | C7 | H7 | 2.6° | 0.0° |
| H5 | C6 | C7 | H7 | 144.1° | 145.0° |
| H6 | C6 | C7 | H7 | 5.5° | 0.0° |
| H7 | C7 | C8 | H8 | 177.3° | 90.7° |
| H7 | C7 | C8 | H9 | 58.7° | 149.3° |
