TJC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.73Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C18 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.38Å | |
| C16 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C17 | sing | 1.43Å | 1.44Å | |
| C18 | O2 | sing | 1.34Å | 1.25Å | |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C12 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.34Å | |
| C11 | N1 | sing | 1.46Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| N1 | C2 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.33Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.33Å | Aromatic |
| C10 | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.47Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.39Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C20 | sing | 1.48Å | 1.41Å | |
| C20 | O4 | doub | 1.22Å | 1.24Å | |
| C20 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C21 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.51Å | 1.40Å | |
| C22 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C28 | sing | 1.51Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C31 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C14 | 119.0° | 120.0° |
| CL1 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.8° | 119.9° |
| C15 | C14 | H7 | 120.0° | 120.0° |
| C14 | C13 | C12 | 119.3° | 120.2° |
| C13 | C14 | H7 | 120.0° | 120.0° |
| C14 | C13 | H8 | 120.4° | 119.9° |
| O3 | C18 | O2 | 125.4° | 120.0° |
| O3 | C18 | C17 | 117.1° | 120.0° |
| C15 | C16 | O1 | 115.5° | 120.1° |
| C15 | C16 | C19 | 119.3° | 119.8° |
| C13 | C12 | C19 | 121.3° | 120.1° |
| C13 | C12 | C11 | 118.9° | 120.0° |
| C12 | C13 | H8 | 120.4° | 119.9° |
| O1 | C16 | C19 | 125.2° | 120.1° |
| C16 | O1 | C17 | 122.4° | 117.0° |
| C16 | C19 | C12 | 119.4° | 120.0° |
| C16 | C19 | H6 | 120.3° | 119.9° |
| O1 | C17 | C18 | 104.1° | 109.5° |
| O1 | C17 | H4 | 110.8° | 109.4° |
| O1 | C17 | H5 | 110.8° | 109.5° |
| O2 | C18 | C17 | 117.5° | 120.0° |
| C18 | O2 | H3 | 109.5° | 117.0° |
| C18 | C17 | H4 | 110.8° | 109.5° |
| C18 | C17 | H5 | 110.8° | 109.6° |
| C19 | C12 | C11 | 119.7° | 119.9° |
| C12 | C19 | H6 | 120.3° | 120.1° |
| C12 | C11 | N1 | 112.5° | 109.4° |
| C12 | C11 | H1 | 108.7° | 109.4° |
| C12 | C11 | H2 | 108.7° | 109.4° |
| C11 | N1 | C2 | 128.5° | 125.0° |
| C11 | N1 | C10 | 123.4° | 125.0° |
| N1 | C11 | H1 | 108.7° | 109.5° |
| N1 | C11 | H2 | 108.7° | 109.5° |
| C1 | C2 | N1 | 127.0° | 125.0° |
| C1 | C2 | C3 | 125.3° | 125.0° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | N1 | C10 | 108.0° | 109.9° |
| N1 | C2 | C3 | 107.7° | 110.0° |
| N1 | C10 | C9 | 130.6° | 133.2° |
| N1 | C10 | C5 | 108.7° | 107.1° |
| C2 | C3 | C5 | 108.9° | 106.9° |
| C2 | C3 | C4 | 125.2° | 126.5° |
| C9 | C10 | C5 | 120.7° | 119.6° |
| C10 | C9 | C8 | 121.2° | 120.3° |
| C10 | C9 | H16 | 119.4° | 119.9° |
| C10 | C5 | C3 | 106.7° | 106.0° |
| C10 | C5 | C6 | 120.7° | 120.0° |
| C9 | C8 | C7 | 119.2° | 120.7° |
| C8 | C9 | H16 | 119.4° | 119.9° |
| C9 | C8 | H17 | 120.4° | 119.7° |
| C5 | C3 | C4 | 125.9° | 126.6° |
| C3 | C5 | C6 | 132.5° | 133.9° |
| C3 | C4 | H12 | 109.5° | 109.4° |
| C3 | C4 | H13 | 109.5° | 109.5° |
| C3 | C4 | H14 | 109.5° | 109.5° |
| C5 | C6 | C7 | 121.3° | 119.4° |
| C5 | C6 | H15 | 119.4° | 120.3° |
| C8 | C7 | C6 | 116.8° | 120.1° |
| C8 | C7 | C20 | 118.6° | 120.0° |
| C7 | C8 | H17 | 120.4° | 119.6° |
| C6 | C7 | C20 | 124.5° | 119.9° |
| C7 | C6 | H15 | 119.4° | 120.3° |
| C7 | C20 | O4 | 120.3° | 120.0° |
| C7 | C20 | N2 | 117.7° | 120.0° |
| O4 | C20 | N2 | 122.0° | 120.0° |
| C20 | N2 | C21 | 120.7° | 120.0° |
| C20 | N2 | H18 | 119.7° | 119.9° |
| N2 | C21 | C22 | 114.8° | 109.5° |
| C21 | N2 | H18 | 119.6° | 120.0° |
| N2 | C21 | H19 | 108.1° | 109.4° |
| N2 | C21 | H20 | 108.1° | 109.4° |
| C21 | C22 | C27 | 119.9° | 120.0° |
| C21 | C22 | C23 | 121.1° | 120.0° |
| C22 | C21 | H19 | 108.2° | 109.5° |
| C22 | C21 | H20 | 108.1° | 109.5° |
| C27 | C22 | C23 | 119.0° | 120.0° |
| C22 | C27 | C26 | 120.8° | 120.0° |
| C22 | C27 | H33 | 119.6° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H21 | 120.0° | 120.0° |
| C27 | C26 | C25 | 121.2° | 120.0° |
| C27 | C26 | H32 | 119.4° | 120.0° |
| C26 | C27 | H33 | 119.6° | 120.0° |
| C23 | C24 | C25 | 121.9° | 120.0° |
| C24 | C23 | H21 | 119.9° | 120.0° |
| C23 | C24 | H22 | 119.0° | 120.0° |
| C26 | C25 | C24 | 117.0° | 120.0° |
| C26 | C25 | C28 | 119.2° | 120.0° |
| C25 | C26 | H32 | 119.4° | 120.0° |
| C24 | C25 | C28 | 123.7° | 120.0° |
| C25 | C24 | H22 | 119.1° | 120.0° |
| C25 | C28 | C29 | 110.5° | 109.5° |
| C25 | C28 | C31 | 109.3° | 109.5° |
| C25 | C28 | C30 | 115.0° | 109.5° |
| C29 | C28 | C31 | 110.6° | 109.5° |
| C29 | C28 | C30 | 105.1° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H30 | 109.4° | 109.4° |
| C28 | C29 | H31 | 109.5° | 109.4° |
| C31 | C28 | C30 | 106.3° | 109.4° |
| C28 | C31 | H26 | 109.5° | 109.4° |
| C28 | C31 | H27 | 109.5° | 109.5° |
| C28 | C31 | H28 | 109.5° | 109.5° |
| C28 | C30 | H23 | 109.5° | 109.5° |
| C28 | C30 | H24 | 109.5° | 109.5° |
| C28 | C30 | H25 | 109.5° | 109.4° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.4° | 109.4° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.4° | 109.4° |
| H12 | C4 | H14 | 109.5° | 109.5° |
| H13 | C4 | H14 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.4° | 109.5° |
| H23 | C30 | H25 | 109.5° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.4° |
| H26 | C31 | H28 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C14 | C16 | 179.7° | 179.9° |
| CL1 | C15 | C14 | C13 | 179.4° | 180.0° |
| CL1 | C15 | C16 | O1 | 0.6° | 0.1° |
| CL1 | C15 | C16 | C19 | 178.6° | 179.7° |
| CL1 | C15 | C14 | H7 | 0.6° | 0.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.3° |
| C14 | C15 | C16 | O1 | 179.1° | 180.0° |
| C14 | C15 | C16 | C19 | 1.0° | 0.3° |
| C15 | C14 | C13 | H8 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | H8 | 180.0° | 179.7° |
| C14 | C13 | C12 | C19 | 2.2° | 0.3° |
| C14 | C13 | C12 | C11 | 177.8° | 180.0° |
| O3 | C18 | C17 | O1 | 45.5° | 0.1° |
| O3 | C18 | O2 | C17 | 179.0° | 180.0° |
| O3 | C18 | O2 | H3 | 0.0° | 0.0° |
| O3 | C18 | C17 | H4 | 73.6° | 120.0° |
| O3 | C18 | C17 | H5 | 164.7° | 120.0° |
| C15 | C16 | O1 | C19 | 177.9° | 179.6° |
| C15 | C16 | O1 | C17 | 158.0° | 179.7° |
| C15 | C16 | C19 | C12 | 2.4° | 0.3° |
| C15 | C16 | C19 | H6 | 177.6° | 179.7° |
| C16 | C15 | C14 | H7 | 179.8° | 180.0° |
| C13 | C12 | C19 | C16 | 3.0° | 0.0° |
| C13 | C12 | C19 | C11 | 175.6° | 179.7° |
| C13 | C12 | C11 | N1 | 127.6° | 90.0° |
| C13 | C12 | C11 | H1 | 112.0° | 150.0° |
| C13 | C12 | C11 | H2 | 7.1° | 30.0° |
| C13 | C12 | C19 | H6 | 177.0° | 180.0° |
| C12 | C13 | C14 | H7 | 179.2° | 179.7° |
| C16 | O1 | C17 | C18 | 102.6° | 179.9° |
| O1 | C16 | C19 | C12 | 179.8° | 180.0° |
| C16 | O1 | C17 | H4 | 16.5° | 59.9° |
| C16 | O1 | C17 | H5 | 138.2° | 59.9° |
| O1 | C16 | C19 | H6 | 0.2° | 0.1° |
| C19 | C16 | O1 | C17 | 24.0° | 0.0° |
| C16 | C19 | C12 | H6 | 180.0° | 180.0° |
| C16 | C19 | C12 | C11 | 178.6° | 179.7° |
| O1 | C17 | C18 | O2 | 135.4° | 180.0° |
| O1 | C17 | C18 | H4 | 119.1° | 120.0° |
| O1 | C17 | C18 | H5 | 119.2° | 120.0° |
| O1 | C17 | H4 | H5 | 122.5° | 119.9° |
| O2 | C18 | C17 | H4 | 105.5° | 60.0° |
| O2 | C18 | C17 | H5 | 16.2° | 60.0° |
| C17 | C18 | O2 | H3 | 179.0° | 179.9° |
| C18 | C17 | H4 | H5 | 122.5° | 120.1° |
| C19 | C12 | C11 | N1 | 56.7° | 89.7° |
| C19 | C12 | C11 | H1 | 63.7° | 30.3° |
| C19 | C12 | C11 | H2 | 177.2° | 150.3° |
| C19 | C12 | C13 | H8 | 177.8° | 180.0° |
| C12 | C11 | N1 | H1 | 120.4° | 120.0° |
| C12 | C11 | N1 | H2 | 120.4° | 119.9° |
| C12 | C11 | N1 | C2 | 102.3° | 90.1° |
| C12 | C11 | N1 | C10 | 82.4° | 90.0° |
| C12 | C11 | H1 | H2 | 118.6° | 119.9° |
| C11 | C12 | C19 | H6 | 1.4° | 0.3° |
| C11 | C12 | C13 | H8 | 2.2° | 0.3° |
| C11 | N1 | C2 | C1 | 3.7° | 0.0° |
| C11 | N1 | C2 | C10 | 175.9° | 179.9° |
| C11 | N1 | C2 | C3 | 177.4° | 179.9° |
| C11 | N1 | C10 | C9 | 2.6° | 0.2° |
| C11 | N1 | C10 | C5 | 177.4° | 179.8° |
| N1 | C11 | H1 | H2 | 118.7° | 120.1° |
| C1 | C2 | N1 | C3 | 178.9° | 180.0° |
| C1 | C2 | N1 | C10 | 179.6° | 179.9° |
| C1 | C2 | C3 | C5 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | N1 | C10 | C9 | 178.7° | 180.0° |
| C2 | N1 | C10 | C5 | 1.3° | 0.4° |
| N1 | C2 | C3 | C5 | 1.2° | 0.3° |
| N1 | C2 | C3 | C4 | 179.1° | 179.9° |
| C2 | N1 | C11 | H1 | 18.1° | 29.9° |
| C2 | N1 | C11 | H2 | 137.3° | 150.0° |
| N1 | C2 | C1 | H9 | 90.6° | 90.0° |
| N1 | C2 | C1 | H10 | 149.4° | 150.0° |
| N1 | C2 | C1 | H11 | 29.3° | 30.0° |
| C10 | N1 | C2 | C3 | 1.5° | 0.1° |
| N1 | C10 | C9 | C5 | 180.0° | 179.6° |
| N1 | C10 | C9 | C8 | 179.2° | 179.6° |
| N1 | C10 | C5 | C3 | 0.6° | 0.5° |
| N1 | C10 | C5 | C6 | 179.5° | 179.7° |
| C10 | N1 | C11 | H1 | 157.2° | 150.0° |
| C10 | N1 | C11 | H2 | 38.0° | 29.9° |
| N1 | C10 | C9 | H16 | 0.8° | 0.4° |
| C2 | C3 | C5 | C10 | 0.4° | 0.5° |
| C2 | C3 | C5 | C4 | 179.7° | 179.7° |
| C2 | C3 | C5 | C6 | 179.5° | 179.8° |
| C3 | C2 | C1 | H9 | 90.6° | 89.9° |
| C3 | C2 | C1 | H10 | 29.4° | 30.0° |
| C3 | C2 | C1 | H11 | 149.4° | 150.0° |
| C2 | C3 | C4 | H12 | 89.8° | 90.1° |
| C2 | C3 | C4 | H13 | 150.2° | 150.0° |
| C2 | C3 | C4 | H14 | 30.2° | 29.9° |
| C10 | C9 | C8 | H16 | 180.0° | 179.9° |
| C9 | C10 | C5 | C3 | 179.4° | 179.8° |
| C9 | C10 | C5 | C6 | 0.4° | 0.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H17 | 179.8° | 179.9° |
| C5 | C10 | C9 | C8 | 0.8° | 0.1° |
| C10 | C5 | C3 | C6 | 179.9° | 179.8° |
| C10 | C5 | C3 | C4 | 179.9° | 179.9° |
| C10 | C5 | C6 | C7 | 0.8° | 0.0° |
| C10 | C5 | C6 | H15 | 179.2° | 180.0° |
| C5 | C10 | C9 | H16 | 179.2° | 180.0° |
| C9 | C8 | C7 | H17 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.3° | 0.1° |
| C9 | C8 | C7 | C20 | 179.7° | 180.0° |
| C3 | C5 | C6 | C7 | 179.4° | 179.7° |
| C5 | C3 | C4 | H12 | 89.8° | 90.3° |
| C5 | C3 | C4 | H13 | 30.2° | 29.6° |
| C5 | C3 | C4 | H14 | 150.2° | 149.7° |
| C3 | C5 | C6 | H15 | 0.6° | 0.3° |
| C4 | C3 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | H12 | H13 | 120.0° | 120.0° |
| C3 | C4 | H12 | H14 | 120.0° | 120.0° |
| C3 | C4 | H13 | H14 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 1.6° | 0.0° |
| C5 | C6 | C7 | H15 | 180.0° | 180.0° |
| C5 | C6 | C7 | C20 | 180.0° | 180.0° |
| C8 | C7 | C6 | C20 | 178.3° | 180.0° |
| C8 | C7 | C20 | O4 | 20.7° | 180.0° |
| C8 | C7 | C20 | N2 | 159.3° | 0.0° |
| C8 | C7 | C6 | H15 | 178.4° | 180.0° |
| C7 | C8 | C9 | H16 | 179.9° | 180.0° |
| C6 | C7 | C20 | O4 | 157.6° | 0.0° |
| C6 | C7 | C20 | N2 | 22.4° | 180.0° |
| C6 | C7 | C8 | H17 | 178.7° | 179.9° |
| C7 | C20 | O4 | N2 | 179.9° | 180.0° |
| C7 | C20 | N2 | C21 | 177.2° | 180.0° |
| C20 | C7 | C6 | H15 | 0.0° | 0.0° |
| C20 | C7 | C8 | H17 | 0.3° | 0.0° |
| C7 | C20 | N2 | H18 | 2.8° | 0.0° |
| O4 | C20 | N2 | C21 | 2.7° | 0.0° |
| O4 | C20 | N2 | H18 | 177.3° | 180.0° |
| C20 | N2 | C21 | H18 | 180.0° | 180.0° |
| C20 | N2 | C21 | C22 | 168.6° | 180.0° |
| C20 | N2 | C21 | H19 | 70.6° | 60.0° |
| C20 | N2 | C21 | H20 | 47.8° | 60.0° |
| N2 | C21 | C22 | H19 | 120.8° | 120.0° |
| N2 | C21 | C22 | H20 | 120.8° | 120.0° |
| N2 | C21 | C22 | C27 | 82.4° | 90.0° |
| N2 | C21 | C22 | C23 | 99.4° | 89.7° |
| N2 | C21 | H19 | H20 | 117.5° | 119.9° |
| C21 | C22 | C27 | C23 | 178.2° | 179.7° |
| C21 | C22 | C27 | C26 | 179.1° | 179.8° |
| C21 | C22 | C23 | C24 | 178.9° | 180.0° |
| C22 | C21 | N2 | H18 | 11.4° | 0.0° |
| C22 | C21 | H19 | H20 | 117.6° | 120.1° |
| C21 | C22 | C23 | H21 | 1.1° | 0.1° |
| C21 | C22 | C27 | H33 | 0.9° | 0.0° |
| C22 | C27 | C26 | H33 | 180.0° | 179.8° |
| C27 | C22 | C23 | C24 | 0.7° | 0.3° |
| C22 | C27 | C26 | C25 | 0.3° | 0.4° |
| C27 | C22 | C21 | H19 | 156.8° | 30.0° |
| C27 | C22 | C21 | H20 | 38.3° | 150.0° |
| C27 | C22 | C23 | H21 | 179.3° | 179.8° |
| C22 | C27 | C26 | H32 | 179.6° | 179.8° |
| C23 | C22 | C27 | C26 | 0.9° | 0.5° |
| C22 | C23 | C24 | H21 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | H19 | 21.4° | 150.3° |
| C23 | C22 | C21 | H20 | 139.9° | 30.3° |
| C22 | C23 | C24 | H22 | 180.0° | 179.9° |
| C23 | C22 | C27 | H33 | 179.2° | 179.7° |
| C27 | C26 | C25 | H32 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.4° | 0.1° |
| C27 | C26 | C25 | C28 | 179.7° | 179.8° |
| C23 | C24 | C25 | C26 | 0.6° | 0.1° |
| C23 | C24 | C25 | H22 | 180.0° | 179.9° |
| C23 | C24 | C25 | C28 | 179.9° | 180.0° |
| C26 | C25 | C24 | C28 | 179.3° | 179.9° |
| C26 | C25 | C28 | C29 | 63.6° | 0.1° |
| C26 | C25 | C28 | C31 | 58.2° | 120.0° |
| C26 | C25 | C28 | C30 | 177.6° | 120.1° |
| C26 | C25 | C24 | H22 | 179.4° | 180.0° |
| C25 | C26 | C27 | H33 | 179.7° | 179.8° |
| C24 | C25 | C28 | C29 | 117.1° | 180.0° |
| C24 | C25 | C28 | C31 | 121.1° | 59.9° |
| C24 | C25 | C28 | C30 | 1.7° | 60.0° |
| C25 | C24 | C23 | H21 | 179.9° | 179.9° |
| C24 | C25 | C26 | H32 | 179.6° | 179.9° |
| C25 | C28 | C29 | C31 | 121.1° | 120.1° |
| C25 | C28 | C29 | C30 | 124.6° | 120.0° |
| C25 | C28 | C31 | C30 | 124.6° | 120.0° |
| C28 | C25 | C24 | H22 | 0.1° | 0.1° |
| C25 | C28 | C30 | H23 | 180.0° | 59.9° |
| C25 | C28 | C30 | H24 | 60.0° | 180.0° |
| C25 | C28 | C30 | H25 | 60.0° | 60.0° |
| C25 | C28 | C31 | H26 | 180.0° | 60.1° |
| C25 | C28 | C31 | H27 | 60.0° | 180.0° |
| C25 | C28 | C31 | H28 | 60.0° | 59.9° |
| C25 | C28 | C29 | H29 | 180.0° | 60.0° |
| C25 | C28 | C29 | H30 | 60.0° | 180.0° |
| C25 | C28 | C29 | H31 | 60.0° | 60.0° |
| C28 | C25 | C26 | H32 | 0.3° | 0.1° |
| C29 | C28 | C31 | C30 | 113.5° | 120.0° |
| C29 | C28 | C30 | H23 | 58.3° | 180.0° |
| C29 | C28 | C30 | H24 | 61.7° | 60.0° |
| C29 | C28 | C30 | H25 | 178.3° | 60.0° |
| C29 | C28 | C31 | H26 | 58.2° | 60.0° |
| C29 | C28 | C31 | H27 | 178.1° | 59.9° |
| C29 | C28 | C31 | H28 | 61.8° | 180.0° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H31 | 120.0° | 120.0° |
| C28 | C29 | H30 | H31 | 120.0° | 120.0° |
| C31 | C28 | C30 | H23 | 58.9° | 60.1° |
| C31 | C28 | C30 | H24 | 178.9° | 60.0° |
| C31 | C28 | C30 | H25 | 61.1° | 180.0° |
| C28 | C31 | H26 | H27 | 120.0° | 120.0° |
| C28 | C31 | H26 | H28 | 120.0° | 120.0° |
| C28 | C31 | H27 | H28 | 120.0° | 120.1° |
| C31 | C28 | C29 | H29 | 58.8° | 179.9° |
| C31 | C28 | C29 | H30 | 61.2° | 60.0° |
| C31 | C28 | C29 | H31 | 178.9° | 60.1° |
| C28 | C30 | H23 | H24 | 120.0° | 120.1° |
| C28 | C30 | H23 | H25 | 120.0° | 119.9° |
| C28 | C30 | H24 | H25 | 120.0° | 120.0° |
| C30 | C28 | C31 | H26 | 55.3° | 180.0° |
| C30 | C28 | C31 | H27 | 64.6° | 60.0° |
| C30 | C28 | C31 | H28 | 175.3° | 60.1° |
| C30 | C28 | C29 | H29 | 55.4° | 60.0° |
| C30 | C28 | C29 | H30 | 175.4° | 60.0° |
| C30 | C28 | C29 | H31 | 64.6° | 180.0° |
| H7 | C14 | C13 | H8 | 0.8° | 0.0° |
| H9 | C1 | H10 | H11 | 119.9° | 120.0° |
| H12 | C4 | H13 | H14 | 120.0° | 120.0° |
| H16 | C9 | C8 | H17 | 0.2° | 0.0° |
| H18 | N2 | C21 | H19 | 109.4° | 120.0° |
| H18 | N2 | C21 | H20 | 132.2° | 120.1° |
| H21 | C23 | C24 | H22 | 0.1° | 0.0° |
| H23 | C30 | H24 | H25 | 120.0° | 120.0° |
| H26 | C31 | H27 | H28 | 120.0° | 120.0° |
| H29 | C29 | H30 | H31 | 120.0° | 120.1° |
| H32 | C26 | C27 | H33 | 0.3° | 0.1° |
