K2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C6 | sing | 1.74Å | 1.80Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O11 | C1 | sing | 1.45Å | 1.43Å | |
| O11 | C12 | sing | 1.35Å | 1.45Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C34 | C13 | sing | 1.53Å | 1.53Å | |
| C34 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C26 | sing | 1.53Å | 1.53Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| C17 | C8 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.43Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C8 | S1 | sing | 1.81Å | 1.82Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.08Å | 1.08Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| C7 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| N13 | H30 | sing | 0.97Å | 1.00Å | |
| N16 | H31 | sing | 0.97Å | 1.00Å | |
| N23 | H32 | sing | 0.97Å | 1.00Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| S1 | H34 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C6 | C5 | 120.4° | 120.1° |
| CL1 | C6 | C7 | 119.4° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.0° |
| C6 | C5 | H27 | 120.1° | 120.0° |
| C6 | C7 | C2 | 120.4° | 119.9° |
| C6 | C7 | H28 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C5 | C4 | H26 | 120.0° | 120.0° |
| C4 | C5 | H27 | 120.1° | 120.0° |
| C7 | C2 | C3 | 119.3° | 120.0° |
| C7 | C2 | C1 | 120.4° | 119.9° |
| C2 | C7 | H28 | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.1° |
| C4 | C3 | H23 | 119.8° | 119.9° |
| C3 | C4 | H26 | 120.1° | 120.0° |
| C18 | C16 | C13 | 112.1° | 109.5° |
| C16 | C18 | C23 | 110.3° | 109.5° |
| C18 | C16 | H5 | 108.8° | 109.4° |
| C18 | C16 | H6 | 108.8° | 109.5° |
| C16 | C18 | H8 | 109.3° | 109.4° |
| C16 | C18 | H9 | 109.2° | 109.5° |
| C16 | C13 | C34 | 108.7° | 109.5° |
| C16 | C13 | C26 | 108.9° | 109.4° |
| C16 | C13 | H3 | 109.6° | 109.5° |
| C13 | C16 | H5 | 108.8° | 109.5° |
| C13 | C16 | H6 | 108.8° | 109.5° |
| C18 | C23 | C25 | 110.8° | 109.5° |
| C23 | C18 | H8 | 109.2° | 109.5° |
| C23 | C18 | H9 | 109.3° | 109.5° |
| C18 | C23 | H17 | 109.1° | 109.5° |
| C18 | C23 | H18 | 109.1° | 109.5° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C2 | C3 | H23 | 119.7° | 120.0° |
| C2 | C1 | O11 | 110.7° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.5° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C1 | O11 | C12 | 121.6° | 117.0° |
| O11 | C1 | H1 | 109.2° | 109.5° |
| O11 | C1 | H2 | 109.1° | 109.5° |
| O11 | C12 | N13 | 118.2° | 120.0° |
| O11 | C12 | O33 | 118.6° | 120.0° |
| O38 | C15 | C14 | 119.6° | 120.0° |
| O38 | C15 | N16 | 121.3° | 120.0° |
| C13 | C34 | C14 | 113.4° | 109.5° |
| C34 | C13 | C26 | 110.5° | 109.5° |
| C34 | C13 | H3 | 109.6° | 109.5° |
| C13 | C34 | H24 | 108.5° | 109.4° |
| C13 | C34 | H25 | 108.5° | 109.5° |
| C34 | C14 | N13 | 109.5° | 109.5° |
| C34 | C14 | C15 | 109.2° | 109.5° |
| C34 | C14 | H4 | 108.6° | 109.4° |
| C14 | C34 | H24 | 108.5° | 109.5° |
| C14 | C34 | H25 | 108.5° | 109.5° |
| C13 | C26 | C25 | 111.1° | 109.5° |
| C26 | C13 | H3 | 109.6° | 109.5° |
| C13 | C26 | H21 | 109.0° | 109.4° |
| C13 | C26 | H22 | 109.0° | 109.4° |
| C12 | N13 | C14 | 121.4° | 120.0° |
| N13 | C12 | O33 | 123.1° | 120.0° |
| C12 | N13 | H30 | 119.3° | 120.0° |
| N13 | C14 | C15 | 111.3° | 109.5° |
| N13 | C14 | H4 | 109.5° | 109.5° |
| C14 | N13 | H30 | 119.3° | 120.1° |
| C14 | C15 | N16 | 119.1° | 120.0° |
| C15 | C14 | H4 | 108.8° | 109.5° |
| C15 | N16 | C17 | 121.7° | 120.0° |
| C15 | N16 | H31 | 119.1° | 120.0° |
| C23 | C25 | C26 | 111.6° | 109.5° |
| C25 | C23 | H17 | 109.2° | 109.5° |
| C25 | C23 | H18 | 109.1° | 109.5° |
| C23 | C25 | H19 | 108.9° | 109.4° |
| C23 | C25 | H20 | 108.9° | 109.5° |
| C22 | C21 | C20 | 106.0° | 101.7° |
| C21 | C22 | N23 | 104.4° | 105.5° |
| C22 | C21 | H13 | 110.4° | 111.0° |
| C22 | C21 | H14 | 110.3° | 111.0° |
| C21 | C22 | H15 | 110.7° | 110.3° |
| C21 | C22 | H16 | 110.7° | 110.2° |
| C21 | C20 | C19 | 111.7° | 110.5° |
| C21 | C20 | C24 | 102.4° | 104.2° |
| C21 | C20 | H12 | 109.8° | 110.6° |
| C20 | C21 | H13 | 110.3° | 111.0° |
| C20 | C21 | H14 | 110.3° | 111.0° |
| C22 | N23 | C24 | 112.7° | 111.3° |
| N23 | C22 | H15 | 110.7° | 110.2° |
| N23 | C22 | H16 | 110.7° | 110.2° |
| C22 | N23 | H32 | 123.6° | 124.4° |
| C26 | C25 | H19 | 108.9° | 109.5° |
| C26 | C25 | H20 | 108.9° | 109.5° |
| C25 | C26 | H21 | 109.1° | 109.5° |
| C25 | C26 | H22 | 109.1° | 109.5° |
| N16 | C17 | C8 | 110.0° | 109.5° |
| N16 | C17 | C19 | 109.1° | 109.5° |
| N16 | C17 | H7 | 109.2° | 109.5° |
| C17 | N16 | H31 | 119.1° | 120.0° |
| C8 | C17 | C19 | 111.7° | 109.5° |
| C17 | C8 | O9 | 111.9° | 109.5° |
| C17 | C8 | S1 | 106.8° | 109.5° |
| C8 | C17 | H7 | 108.3° | 109.5° |
| C17 | C8 | H29 | 108.0° | 109.5° |
| C17 | C19 | C20 | 110.6° | 109.5° |
| C19 | C17 | H7 | 108.4° | 109.5° |
| C17 | C19 | H10 | 109.2° | 109.5° |
| C17 | C19 | H11 | 109.2° | 109.5° |
| O9 | C8 | S1 | 115.4° | 109.5° |
| O9 | C8 | H29 | 109.2° | 109.5° |
| C8 | O9 | H33 | 109.5° | 114.1° |
| C19 | C20 | C24 | 112.7° | 110.4° |
| C20 | C19 | H10 | 109.2° | 109.5° |
| C20 | C19 | H11 | 109.2° | 109.5° |
| C19 | C20 | H12 | 109.9° | 110.4° |
| C20 | C24 | N23 | 111.4° | 110.1° |
| C20 | C24 | O26 | 123.2° | 125.0° |
| C24 | C20 | H12 | 110.2° | 110.5° |
| N23 | C24 | O26 | 125.4° | 124.9° |
| C24 | N23 | H32 | 123.6° | 124.3° |
| S1 | C8 | H29 | 105.1° | 109.5° |
| C8 | S1 | H34 | 102.0° | 103.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H8 | C18 | H9 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 110.9° |
| H15 | C22 | H16 | 109.5° | 110.3° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C6 | C5 | C7 | 179.6° | 179.7° |
| CL1 | C6 | C5 | C4 | 179.8° | 180.0° |
| CL1 | C6 | C7 | C2 | 179.6° | 179.7° |
| CL1 | C6 | C5 | H27 | 0.2° | 0.0° |
| CL1 | C6 | C7 | H28 | 0.4° | 0.3° |
| C6 | C5 | C4 | H27 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.6° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | H26 | 179.8° | 179.9° |
| C5 | C6 | C7 | H28 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.3° |
| C6 | C7 | C2 | H28 | 180.0° | 179.4° |
| C6 | C7 | C2 | C3 | 0.1° | 0.6° |
| C6 | C7 | C2 | C1 | 179.8° | 179.7° |
| C7 | C6 | C5 | H27 | 179.8° | 179.7° |
| C5 | C4 | C3 | H26 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H23 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C7 | C2 | C3 | C1 | 179.7° | 179.8° |
| C7 | C2 | C1 | O11 | 1.9° | 90.2° |
| C7 | C2 | C1 | H1 | 118.3° | 29.8° |
| C7 | C2 | C1 | H2 | 122.1° | 149.7° |
| C7 | C2 | C3 | H23 | 179.9° | 179.7° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H27 | 179.7° | 180.0° |
| C18 | C16 | C13 | H5 | 120.4° | 120.0° |
| C18 | C16 | C13 | H6 | 120.4° | 120.1° |
| C16 | C18 | C23 | H8 | 120.1° | 120.0° |
| C16 | C18 | C23 | H9 | 120.1° | 120.0° |
| C18 | C16 | C13 | C34 | 178.2° | 180.0° |
| C18 | C16 | C13 | C26 | 57.8° | 60.0° |
| C16 | C18 | C23 | C25 | 55.1° | 60.0° |
| C18 | C16 | C13 | H3 | 62.1° | 59.9° |
| C18 | C16 | H5 | H6 | 118.8° | 120.0° |
| C16 | C18 | H8 | H9 | 119.6° | 120.0° |
| C16 | C18 | C23 | H17 | 175.3° | 180.0° |
| C16 | C18 | C23 | H18 | 65.1° | 60.0° |
| C13 | C16 | C18 | C23 | 57.4° | 60.0° |
| C16 | C13 | C34 | C26 | 119.5° | 119.9° |
| C16 | C13 | C34 | H3 | 119.7° | 120.0° |
| C16 | C13 | C34 | C14 | 179.3° | 66.4° |
| C16 | C13 | C26 | H3 | 119.8° | 120.0° |
| C16 | C13 | C26 | C25 | 56.8° | 60.0° |
| C13 | C16 | H5 | H6 | 118.8° | 120.0° |
| C13 | C16 | C18 | H8 | 62.7° | 60.0° |
| C13 | C16 | C18 | H9 | 177.6° | 180.0° |
| C16 | C13 | C26 | H21 | 63.4° | 60.0° |
| C16 | C13 | C26 | H22 | 177.1° | 180.0° |
| C16 | C13 | C34 | H24 | 60.1° | 173.6° |
| C16 | C13 | C34 | H25 | 58.7° | 53.6° |
| C18 | C23 | C25 | H17 | 120.2° | 120.0° |
| C18 | C23 | C25 | H18 | 120.2° | 120.0° |
| C18 | C23 | C25 | C26 | 55.5° | 60.0° |
| C23 | C18 | C16 | H5 | 63.0° | 180.0° |
| C23 | C18 | C16 | H6 | 177.8° | 60.0° |
| C23 | C18 | H8 | H9 | 119.6° | 120.1° |
| C18 | C23 | H17 | H18 | 119.4° | 120.0° |
| C18 | C23 | C25 | H19 | 64.8° | 60.0° |
| C18 | C23 | C25 | H20 | 175.8° | 180.0° |
| C3 | C2 | C1 | O11 | 177.8° | 90.0° |
| C3 | C2 | C1 | H1 | 62.0° | 150.0° |
| C3 | C2 | C1 | H2 | 57.6° | 30.0° |
| C2 | C3 | C4 | H26 | 179.9° | 180.0° |
| C3 | C2 | C7 | H28 | 179.9° | 180.0° |
| C2 | C1 | O11 | H1 | 120.2° | 120.0° |
| C2 | C1 | O11 | H2 | 120.2° | 120.0° |
| C2 | C1 | O11 | C12 | 86.0° | 180.0° |
| C2 | C1 | H1 | H2 | 119.4° | 120.0° |
| C1 | C2 | C3 | H23 | 0.3° | 0.0° |
| C1 | C2 | C7 | H28 | 0.2° | 0.3° |
| C1 | O11 | C12 | N13 | 173.1° | 180.0° |
| C1 | O11 | C12 | O33 | 7.2° | 0.0° |
| O11 | C1 | H1 | H2 | 119.4° | 120.0° |
| O11 | C12 | N13 | O33 | 179.7° | 180.0° |
| O11 | C12 | N13 | C14 | 168.6° | 175.0° |
| C12 | O11 | C1 | H1 | 34.2° | 60.0° |
| C12 | O11 | C1 | H2 | 153.8° | 60.0° |
| O11 | C12 | N13 | H30 | 11.4° | 5.0° |
| O38 | C15 | C14 | C34 | 79.1° | 106.1° |
| O38 | C15 | C14 | N13 | 41.8° | 13.9° |
| O38 | C15 | C14 | N16 | 179.7° | 180.0° |
| O38 | C15 | N16 | C17 | 5.0° | 4.6° |
| O38 | C15 | C14 | H4 | 162.6° | 134.0° |
| O38 | C15 | N16 | H31 | 175.1° | 175.4° |
| C13 | C34 | C14 | H24 | 120.6° | 120.0° |
| C13 | C34 | C14 | H25 | 120.6° | 120.0° |
| C34 | C13 | C26 | H3 | 120.8° | 120.1° |
| C13 | C34 | C14 | N13 | 59.9° | 173.9° |
| C13 | C34 | C14 | C15 | 178.1° | 66.1° |
| C34 | C13 | C26 | C25 | 176.2° | 180.0° |
| C13 | C34 | C14 | H4 | 59.6° | 53.9° |
| C34 | C13 | C16 | H5 | 57.9° | 60.0° |
| C34 | C13 | C16 | H6 | 61.4° | 60.0° |
| C34 | C13 | C26 | H21 | 55.9° | 60.0° |
| C34 | C13 | C26 | H22 | 63.6° | 60.1° |
| C13 | C34 | H24 | H25 | 118.2° | 120.0° |
| C14 | C34 | C13 | C26 | 61.2° | 173.6° |
| C34 | C14 | N13 | C12 | 178.8° | 88.7° |
| C34 | C14 | N13 | C15 | 120.8° | 120.0° |
| C34 | C14 | N13 | H4 | 118.9° | 120.0° |
| C34 | C14 | C15 | H4 | 118.3° | 119.9° |
| C34 | C14 | C15 | N16 | 101.1° | 73.9° |
| C14 | C34 | C13 | H3 | 59.6° | 53.6° |
| C14 | C34 | H24 | H25 | 118.2° | 120.0° |
| C34 | C14 | N13 | H30 | 1.2° | 91.3° |
| C13 | C26 | C25 | C23 | 56.9° | 60.0° |
| C13 | C26 | C25 | H21 | 120.2° | 120.0° |
| C13 | C26 | C25 | H22 | 120.2° | 119.9° |
| C26 | C13 | C16 | H5 | 62.6° | 180.0° |
| C26 | C13 | C16 | H6 | 178.2° | 60.0° |
| C13 | C26 | C25 | H19 | 63.5° | 60.0° |
| C13 | C26 | C25 | H20 | 177.2° | 180.0° |
| C13 | C26 | H21 | H22 | 119.2° | 120.0° |
| C26 | C13 | C34 | H24 | 59.3° | 53.6° |
| C26 | C13 | C34 | H25 | 178.2° | 66.3° |
| C12 | N13 | C14 | H30 | 180.0° | 180.0° |
| C12 | N13 | C14 | C15 | 58.0° | 151.3° |
| C12 | N13 | C14 | H4 | 62.2° | 31.3° |
| C14 | N13 | C12 | O33 | 11.8° | 5.1° |
| N13 | C14 | C15 | H4 | 120.8° | 120.1° |
| N13 | C14 | C15 | N16 | 137.9° | 166.1° |
| N13 | C14 | C34 | H24 | 179.5° | 66.1° |
| N13 | C14 | C34 | H25 | 60.7° | 53.9° |
| O33 | C12 | N13 | H30 | 168.2° | 175.0° |
| C14 | C15 | N16 | C17 | 175.3° | 175.4° |
| C15 | C14 | C34 | H24 | 57.5° | 53.9° |
| C15 | C14 | C34 | H25 | 61.4° | 173.9° |
| C15 | C14 | N13 | H30 | 122.0° | 28.7° |
| C14 | C15 | N16 | H31 | 4.7° | 4.6° |
| C15 | N16 | C17 | H31 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 121.1° | 85.0° |
| C15 | N16 | C17 | C19 | 116.0° | 155.0° |
| N16 | C15 | C14 | H4 | 17.2° | 46.0° |
| C15 | N16 | C17 | H7 | 2.3° | 35.0° |
| C23 | C25 | C26 | H19 | 120.3° | 120.0° |
| C23 | C25 | C26 | H20 | 120.3° | 120.0° |
| C25 | C23 | C18 | H8 | 65.0° | 60.0° |
| C25 | C23 | C18 | H9 | 175.2° | 180.0° |
| C25 | C23 | H17 | H18 | 119.4° | 120.0° |
| C23 | C25 | H19 | H20 | 119.0° | 120.0° |
| C23 | C25 | C26 | H21 | 63.4° | 60.0° |
| C23 | C25 | C26 | H22 | 177.1° | 179.9° |
| C22 | C21 | C20 | H13 | 119.5° | 118.1° |
| C22 | C21 | C20 | H14 | 119.4° | 118.1° |
| C21 | C22 | N23 | H15 | 119.2° | 119.0° |
| C21 | C22 | N23 | H16 | 119.2° | 119.0° |
| C22 | C21 | C20 | C19 | 137.8° | 93.9° |
| C22 | C21 | C20 | C24 | 17.0° | 24.8° |
| C21 | C22 | N23 | C24 | 6.5° | 17.0° |
| C22 | C21 | C20 | H12 | 100.0° | 143.6° |
| C22 | C21 | H13 | H14 | 121.6° | 123.8° |
| C21 | C22 | H15 | H16 | 122.3° | 122.0° |
| C21 | C22 | N23 | H32 | 173.5° | 163.0° |
| C20 | C21 | C22 | N23 | 14.8° | 25.4° |
| C21 | C20 | C19 | C17 | 67.4° | 178.8° |
| C21 | C20 | C19 | C24 | 114.6° | 114.8° |
| C21 | C20 | C19 | H12 | 122.1° | 122.7° |
| C21 | C20 | C24 | H12 | 116.8° | 118.9° |
| C21 | C20 | C24 | N23 | 14.0° | 16.2° |
| C21 | C20 | C24 | O26 | 166.7° | 163.7° |
| C21 | C20 | C19 | H10 | 172.4° | 61.2° |
| C21 | C20 | C19 | H11 | 52.8° | 58.8° |
| C20 | C21 | H13 | H14 | 121.6° | 123.8° |
| C20 | C21 | C22 | H15 | 134.0° | 93.6° |
| C20 | C21 | C22 | H16 | 104.4° | 144.4° |
| C22 | N23 | C24 | C20 | 4.9° | 0.4° |
| C22 | N23 | C24 | H32 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 175.7° | 179.6° |
| N23 | C22 | C21 | H13 | 134.3° | 143.5° |
| N23 | C22 | C21 | H14 | 104.6° | 92.7° |
| N23 | C22 | H15 | H16 | 122.4° | 121.9° |
| C25 | C26 | C13 | H3 | 63.0° | 60.0° |
| C26 | C25 | C23 | H17 | 175.7° | 180.0° |
| C26 | C25 | C23 | H18 | 64.7° | 60.0° |
| C26 | C25 | H19 | H20 | 119.0° | 120.0° |
| C25 | C26 | H21 | H22 | 119.3° | 120.0° |
| N16 | C17 | C8 | C19 | 121.4° | 120.0° |
| N16 | C17 | C8 | H7 | 119.3° | 120.0° |
| N16 | C17 | C19 | H7 | 118.9° | 120.0° |
| N16 | C17 | C8 | O9 | 174.6° | 60.0° |
| N16 | C17 | C19 | C20 | 60.4° | 65.0° |
| N16 | C17 | C8 | S1 | 58.2° | 180.0° |
| N16 | C17 | C19 | H10 | 59.7° | 55.0° |
| N16 | C17 | C19 | H11 | 179.4° | 175.0° |
| N16 | C17 | C8 | H29 | 54.5° | 60.0° |
| C8 | C17 | C19 | H7 | 119.3° | 120.0° |
| C17 | C8 | O9 | S1 | 122.4° | 120.0° |
| C17 | C8 | O9 | H29 | 119.4° | 120.0° |
| C8 | C17 | C19 | C20 | 177.7° | 175.0° |
| C17 | C8 | S1 | H29 | 114.6° | 120.0° |
| C8 | C17 | C19 | H10 | 62.1° | 65.0° |
| C8 | C17 | C19 | H11 | 57.5° | 55.0° |
| C8 | C17 | N16 | H31 | 58.9° | 95.0° |
| C17 | C8 | O9 | H33 | 180.0° | 60.0° |
| C17 | C8 | S1 | H34 | 180.0° | 60.0° |
| C19 | C17 | C8 | O9 | 64.0° | 180.0° |
| C17 | C19 | C20 | H10 | 120.2° | 120.0° |
| C17 | C19 | C20 | H11 | 120.2° | 120.0° |
| C17 | C19 | C20 | C24 | 177.9° | 66.5° |
| C19 | C17 | C8 | S1 | 63.2° | 60.0° |
| C17 | C19 | H10 | H11 | 119.5° | 120.0° |
| C17 | C19 | C20 | H12 | 54.7° | 56.1° |
| C19 | C17 | C8 | H29 | 175.8° | 60.0° |
| C19 | C17 | N16 | H31 | 64.0° | 25.0° |
| O9 | C8 | S1 | H29 | 120.4° | 120.0° |
| O9 | C8 | C17 | H7 | 55.3° | 60.0° |
| O9 | C8 | S1 | H34 | 54.9° | 180.0° |
| C19 | C20 | C24 | H12 | 123.1° | 122.5° |
| C19 | C20 | C24 | N23 | 134.1° | 102.4° |
| C19 | C20 | C24 | O26 | 46.6° | 77.6° |
| C20 | C19 | C17 | H7 | 58.5° | 55.0° |
| C20 | C19 | H10 | H11 | 119.5° | 120.0° |
| C19 | C20 | C21 | H13 | 102.7° | 24.2° |
| C19 | C20 | C21 | H14 | 18.4° | 148.0° |
| C20 | C24 | N23 | O26 | 179.3° | 179.9° |
| C24 | C20 | C19 | H10 | 57.8° | 53.6° |
| C24 | C20 | C19 | H11 | 61.9° | 173.5° |
| C24 | C20 | C21 | H13 | 136.5° | 142.9° |
| C24 | C20 | C21 | H14 | 102.4° | 93.3° |
| C20 | C24 | N23 | H32 | 175.1° | 179.6° |
| N23 | C24 | C20 | H12 | 102.8° | 135.1° |
| C24 | N23 | C22 | H15 | 125.7° | 102.0° |
| C24 | N23 | C22 | H16 | 112.7° | 136.0° |
| O26 | C24 | C20 | H12 | 76.5° | 44.9° |
| O26 | C24 | N23 | H32 | 4.3° | 0.4° |
| S1 | C8 | C17 | H7 | 177.5° | 60.0° |
| S1 | C8 | O9 | H33 | 57.6° | 180.0° |
| H3 | C13 | C16 | H5 | 177.6° | 60.0° |
| H3 | C13 | C16 | H6 | 58.3° | 180.0° |
| H3 | C13 | C26 | H21 | 176.8° | 180.0° |
| H3 | C13 | C26 | H22 | 57.3° | 60.0° |
| H3 | C13 | C34 | H24 | 179.8° | 66.4° |
| H3 | C13 | C34 | H25 | 61.0° | 173.6° |
| H4 | C14 | C34 | H24 | 61.0° | 173.9° |
| H4 | C14 | C34 | H25 | 179.8° | 66.2° |
| H4 | C14 | N13 | H30 | 117.7° | 148.7° |
| H5 | C16 | C18 | H8 | 176.9° | 60.0° |
| H5 | C16 | C18 | H9 | 57.2° | 60.0° |
| H6 | C16 | C18 | H8 | 57.7° | 179.9° |
| H6 | C16 | C18 | H9 | 62.0° | 60.0° |
| H7 | C17 | C19 | H10 | 178.6° | 175.0° |
| H7 | C17 | C19 | H11 | 61.7° | 65.0° |
| H7 | C17 | C8 | H29 | 64.8° | 180.0° |
| H7 | C17 | N16 | H31 | 177.6° | 145.0° |
| H8 | C18 | C23 | H17 | 55.2° | 60.0° |
| H8 | C18 | C23 | H18 | 174.8° | 180.0° |
| H9 | C18 | C23 | H17 | 64.5° | 60.0° |
| H9 | C18 | C23 | H18 | 55.0° | 60.0° |
| H10 | C19 | C20 | H12 | 65.5° | 176.1° |
| H11 | C19 | C20 | H12 | 174.9° | 63.9° |
| H12 | C20 | C21 | H13 | 19.5° | 98.3° |
| H12 | C20 | C21 | H14 | 140.6° | 25.5° |
| H13 | C21 | C22 | H15 | 106.5° | 24.5° |
| H13 | C21 | C22 | H16 | 15.0° | 97.5° |
| H14 | C21 | C22 | H15 | 14.6° | 148.3° |
| H14 | C21 | C22 | H16 | 136.2° | 26.3° |
| H15 | C22 | N23 | H32 | 54.3° | 78.0° |
| H16 | C22 | N23 | H32 | 67.3° | 44.0° |
| H17 | C23 | C25 | H19 | 55.4° | 60.0° |
| H17 | C23 | C25 | H20 | 64.0° | 60.0° |
| H18 | C23 | C25 | H19 | 175.0° | 180.0° |
| H18 | C23 | C25 | H20 | 55.6° | 60.0° |
| H19 | C25 | C26 | H21 | 176.3° | 179.9° |
| H19 | C25 | C26 | H22 | 56.8° | 60.0° |
| H20 | C25 | C26 | H21 | 56.9° | 60.0° |
| H20 | C25 | C26 | H22 | 62.6° | 60.1° |
| H23 | C3 | C4 | H26 | 0.1° | 0.0° |
| H26 | C4 | C5 | H27 | 0.3° | 0.0° |
| H29 | C8 | O9 | H33 | 60.6° | 60.0° |
| H29 | C8 | S1 | H34 | 65.5° | 60.0° |
