TJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| CL1 | C12 | sing | 1.74Å | 1.75Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.51Å | 1.56Å | |
| C14 | O2 | sing | 1.43Å | 1.46Å | |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O3 | C16 | doub | 1.21Å | 1.26Å | |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | O4 | sing | 1.34Å | 1.26Å | |
| C13 | O2 | sing | 1.36Å | 1.39Å | |
| C13 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.40Å | |
| C8 | N2 | sing | 1.46Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| N2 | C18 | sing | 1.37Å | 1.35Å | Aromatic |
| N2 | C7 | sing | 1.37Å | 1.36Å | Aromatic |
| C18 | C20 | doub | 1.34Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.34Å | Aromatic |
| C7 | C22 | doub | 1.41Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.47Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.40Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.35Å | |
| C32 | C30 | sing | 1.53Å | 1.57Å | |
| N1 | C2 | sing | 1.46Å | 1.49Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C27 | sing | 1.51Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C2 | sing | 1.51Å | 1.43Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C16 | 111.2° | 109.5° |
| C15 | C14 | O2 | 109.7° | 109.5° |
| C15 | C14 | H4 | 107.7° | 109.4° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| CL1 | C12 | C11 | 123.9° | 120.1° |
| CL1 | C12 | C13 | 116.3° | 120.0° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C11 | C12 | C13 | 119.8° | 119.9° |
| C12 | C11 | H2 | 119.8° | 120.0° |
| C11 | C10 | C9 | 120.6° | 120.1° |
| C11 | C10 | H1 | 119.7° | 119.9° |
| C10 | C11 | H2 | 119.8° | 119.9° |
| C16 | C14 | O2 | 111.7° | 109.5° |
| C14 | C16 | O3 | 117.5° | 120.0° |
| C14 | C16 | O4 | 117.7° | 120.0° |
| C16 | C14 | H4 | 107.6° | 109.5° |
| C14 | O2 | C13 | 119.5° | 117.0° |
| O2 | C14 | H4 | 108.9° | 109.5° |
| C12 | C13 | O2 | 115.6° | 120.1° |
| C12 | C13 | C17 | 119.6° | 119.9° |
| O3 | C16 | O4 | 124.7° | 120.0° |
| C10 | C9 | C17 | 117.6° | 120.1° |
| C10 | C9 | C8 | 119.4° | 119.9° |
| C9 | C10 | H1 | 119.7° | 120.0° |
| C16 | O4 | H3 | 109.5° | 117.0° |
| O2 | C13 | C17 | 124.7° | 120.0° |
| C13 | C17 | C9 | 121.9° | 119.9° |
| C13 | C17 | H8 | 119.0° | 120.1° |
| C17 | C9 | C8 | 122.9° | 120.0° |
| C9 | C17 | H8 | 119.0° | 120.0° |
| C9 | C8 | N2 | 110.5° | 109.5° |
| C9 | C8 | H9 | 109.2° | 109.5° |
| C9 | C8 | H10 | 109.2° | 109.4° |
| C8 | N2 | C18 | 127.8° | 125.0° |
| C8 | N2 | C7 | 126.0° | 125.0° |
| N2 | C8 | H9 | 109.2° | 109.5° |
| N2 | C8 | H10 | 109.2° | 109.5° |
| C19 | C18 | N2 | 124.8° | 125.0° |
| C19 | C18 | C20 | 126.2° | 125.1° |
| C18 | C19 | H11 | 109.5° | 109.4° |
| C18 | C19 | H12 | 109.5° | 109.4° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | N2 | C7 | 106.2° | 110.0° |
| N2 | C18 | C20 | 109.0° | 109.9° |
| N2 | C7 | C6 | 130.6° | 133.3° |
| N2 | C7 | C22 | 109.7° | 107.1° |
| C18 | C20 | C22 | 109.5° | 107.0° |
| C18 | C20 | C21 | 124.8° | 126.5° |
| C6 | C7 | C22 | 119.7° | 119.7° |
| C7 | C6 | C5 | 120.9° | 120.2° |
| C7 | C6 | H18 | 119.5° | 119.9° |
| C7 | C22 | C20 | 105.6° | 106.0° |
| C7 | C22 | C23 | 121.2° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.7° |
| C5 | C6 | H18 | 119.6° | 119.9° |
| C6 | C5 | H19 | 119.7° | 119.7° |
| C22 | C20 | C21 | 125.7° | 126.5° |
| C20 | C22 | C23 | 133.2° | 134.0° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C22 | C23 | C4 | 120.9° | 119.3° |
| C22 | C23 | H17 | 119.5° | 120.3° |
| C5 | C4 | C23 | 116.8° | 120.1° |
| C5 | C4 | C3 | 118.3° | 120.0° |
| C4 | C5 | H19 | 119.8° | 119.6° |
| C23 | C4 | C3 | 124.8° | 119.9° |
| C4 | C23 | H17 | 119.5° | 120.4° |
| C4 | C3 | O1 | 122.0° | 120.0° |
| C4 | C3 | N1 | 114.6° | 120.0° |
| O1 | C3 | N1 | 122.5° | 120.0° |
| C3 | N1 | C2 | 123.0° | 120.0° |
| C3 | N1 | H20 | 118.5° | 120.0° |
| C32 | C30 | C33 | 108.7° | 109.5° |
| C32 | C30 | C27 | 112.3° | 109.5° |
| C32 | C30 | C31 | 106.2° | 109.5° |
| C30 | C32 | H27 | 109.5° | 109.4° |
| C30 | C32 | H28 | 109.4° | 109.5° |
| C30 | C32 | H29 | 109.5° | 109.5° |
| N1 | C2 | C24 | 110.7° | 109.5° |
| N1 | C2 | C1 | 111.9° | 109.5° |
| C2 | N1 | H20 | 118.5° | 120.0° |
| N1 | C2 | H21 | 107.7° | 109.5° |
| C29 | C28 | C27 | 122.7° | 120.0° |
| C28 | C29 | C24 | 121.7° | 120.0° |
| C29 | C28 | H36 | 118.7° | 120.0° |
| C28 | C29 | H37 | 119.2° | 120.0° |
| C28 | C27 | C30 | 119.2° | 120.0° |
| C28 | C27 | C26 | 115.7° | 120.0° |
| C27 | C28 | H36 | 118.6° | 120.0° |
| C29 | C24 | C2 | 123.6° | 120.0° |
| C29 | C24 | C25 | 116.0° | 120.0° |
| C24 | C29 | H37 | 119.1° | 120.0° |
| C33 | C30 | C27 | 110.5° | 109.5° |
| C33 | C30 | C31 | 107.5° | 109.5° |
| C30 | C33 | H30 | 109.5° | 109.5° |
| C30 | C33 | H31 | 109.5° | 109.5° |
| C30 | C33 | H32 | 109.5° | 109.5° |
| C27 | C30 | C31 | 111.4° | 109.5° |
| C30 | C27 | C26 | 125.1° | 120.0° |
| C30 | C31 | H33 | 109.5° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.5° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C27 | C26 | C25 | 121.4° | 120.0° |
| C27 | C26 | H26 | 119.3° | 120.0° |
| C2 | C24 | C25 | 120.4° | 120.0° |
| C24 | C2 | C1 | 110.8° | 109.4° |
| C24 | C2 | H21 | 108.5° | 109.5° |
| C24 | C25 | C26 | 122.5° | 120.0° |
| C24 | C25 | H25 | 118.8° | 120.0° |
| C1 | C2 | H21 | 107.1° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.4° |
| C2 | C1 | H23 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.4° | 109.5° |
| C26 | C25 | H25 | 118.8° | 120.0° |
| C25 | C26 | H26 | 119.3° | 120.0° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.4° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H14 | C21 | H16 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H22 | C1 | H23 | 109.4° | 109.4° |
| H22 | C1 | H24 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H27 | C32 | H29 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.5° |
| H30 | C33 | H32 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.4° |
| H33 | C31 | H34 | 109.4° | 109.4° |
| H33 | C31 | H35 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C16 | O2 | 122.9° | 120.0° |
| C15 | C14 | C16 | H4 | 117.7° | 120.0° |
| C15 | C14 | O2 | H4 | 117.6° | 120.0° |
| C15 | C14 | C16 | O3 | 155.2° | 115.0° |
| C15 | C14 | C16 | O4 | 21.6° | 65.0° |
| C15 | C14 | O2 | C13 | 129.6° | 84.8° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| CL1 | C12 | C11 | C13 | 179.5° | 180.0° |
| CL1 | C12 | C11 | C10 | 180.0° | 179.9° |
| CL1 | C12 | C13 | O2 | 0.8° | 0.1° |
| CL1 | C12 | C13 | C17 | 179.8° | 179.7° |
| CL1 | C12 | C11 | H2 | 0.0° | 0.0° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C12 | C13 | O2 | 179.7° | 179.9° |
| C11 | C12 | C13 | C17 | 0.3° | 0.2° |
| C12 | C11 | C10 | H1 | 179.9° | 179.8° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C9 | C17 | 0.9° | 0.3° |
| C11 | C10 | C9 | C8 | 178.6° | 179.7° |
| C16 | C14 | O2 | H4 | 118.6° | 120.0° |
| C14 | C16 | O3 | O4 | 176.6° | 180.0° |
| C16 | C14 | O2 | C13 | 106.6° | 155.1° |
| C14 | C16 | O4 | H3 | 176.6° | 180.0° |
| C16 | C14 | C15 | H5 | 180.0° | 60.0° |
| C16 | C14 | C15 | H6 | 60.0° | 60.0° |
| C16 | C14 | C15 | H7 | 60.0° | 180.0° |
| C14 | O2 | C13 | C12 | 89.0° | 174.2° |
| O2 | C14 | C16 | O3 | 81.9° | 5.0° |
| O2 | C14 | C16 | O4 | 101.3° | 175.0° |
| C14 | O2 | C13 | C17 | 91.6° | 5.5° |
| O2 | C14 | C15 | H5 | 55.9° | 179.9° |
| O2 | C14 | C15 | H6 | 175.9° | 60.1° |
| O2 | C14 | C15 | H7 | 64.1° | 60.0° |
| C12 | C13 | O2 | C17 | 179.3° | 179.6° |
| C12 | C13 | C17 | C9 | 0.5° | 0.5° |
| C13 | C12 | C11 | H2 | 179.5° | 180.0° |
| C12 | C13 | C17 | H8 | 179.5° | 179.6° |
| O3 | C16 | O4 | H3 | 0.0° | 0.0° |
| O3 | C16 | C14 | H4 | 37.5° | 125.0° |
| C10 | C9 | C17 | C13 | 1.1° | 0.5° |
| C10 | C9 | C17 | C8 | 177.7° | 180.0° |
| C10 | C9 | C8 | N2 | 134.3° | 90.0° |
| C9 | C10 | C11 | H2 | 179.9° | 180.0° |
| C10 | C9 | C17 | H8 | 178.9° | 179.6° |
| C10 | C9 | C8 | H9 | 105.6° | 150.0° |
| C10 | C9 | C8 | H10 | 14.1° | 30.0° |
| O4 | C16 | C14 | H4 | 139.3° | 54.9° |
| O2 | C13 | C17 | C9 | 178.8° | 179.9° |
| C13 | O2 | C14 | H4 | 12.0° | 35.1° |
| O2 | C13 | C17 | H8 | 1.2° | 0.0° |
| C13 | C17 | C9 | H8 | 180.0° | 180.0° |
| C13 | C17 | C9 | C8 | 178.8° | 179.6° |
| C17 | C9 | C8 | N2 | 48.1° | 90.0° |
| C17 | C9 | C10 | H1 | 179.1° | 180.0° |
| C17 | C9 | C8 | H9 | 72.0° | 30.0° |
| C17 | C9 | C8 | H10 | 168.3° | 150.0° |
| C9 | C8 | N2 | H9 | 120.1° | 120.0° |
| C9 | C8 | N2 | H10 | 120.1° | 120.0° |
| C9 | C8 | N2 | C18 | 95.9° | 90.0° |
| C9 | C8 | N2 | C7 | 85.8° | 90.2° |
| C8 | C9 | C10 | H1 | 1.3° | 0.1° |
| C8 | C9 | C17 | H8 | 1.2° | 0.4° |
| C9 | C8 | H9 | H10 | 119.6° | 119.9° |
| C8 | N2 | C18 | C19 | 0.2° | 0.0° |
| C8 | N2 | C18 | C7 | 178.5° | 179.8° |
| C8 | N2 | C18 | C20 | 178.9° | 179.9° |
| C8 | N2 | C7 | C6 | 0.5° | 0.0° |
| C8 | N2 | C7 | C22 | 179.1° | 179.8° |
| N2 | C8 | H9 | H10 | 119.5° | 120.0° |
| C19 | C18 | N2 | C20 | 179.1° | 180.0° |
| C19 | C18 | N2 | C7 | 178.8° | 179.8° |
| C19 | C18 | C20 | C22 | 179.0° | 180.0° |
| C19 | C18 | C20 | C21 | 2.0° | 0.1° |
| C18 | C19 | H11 | H12 | 120.0° | 119.9° |
| C18 | C19 | H11 | H13 | 120.0° | 120.1° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | N2 | C7 | C6 | 179.0° | 179.8° |
| C18 | N2 | C7 | C22 | 0.5° | 0.4° |
| N2 | C18 | C20 | C22 | 0.1° | 0.0° |
| N2 | C18 | C20 | C21 | 178.9° | 179.9° |
| C18 | N2 | C8 | H9 | 24.2° | 30.0° |
| C18 | N2 | C8 | H10 | 143.9° | 150.0° |
| N2 | C18 | C19 | H11 | 89.5° | 90.0° |
| N2 | C18 | C19 | H12 | 150.5° | 150.0° |
| N2 | C18 | C19 | H13 | 30.5° | 30.0° |
| C7 | N2 | C18 | C20 | 0.4° | 0.3° |
| N2 | C7 | C6 | C22 | 179.5° | 179.8° |
| N2 | C7 | C6 | C5 | 179.6° | 180.0° |
| N2 | C7 | C22 | C20 | 0.5° | 0.4° |
| N2 | C7 | C22 | C23 | 179.3° | 179.8° |
| C7 | N2 | C8 | H9 | 154.0° | 149.7° |
| C7 | N2 | C8 | H10 | 34.3° | 29.7° |
| N2 | C7 | C6 | H18 | 0.4° | 0.0° |
| C18 | C20 | C22 | C7 | 0.2° | 0.2° |
| C18 | C20 | C22 | C21 | 179.0° | 179.9° |
| C18 | C20 | C22 | C23 | 179.4° | 180.0° |
| C20 | C18 | C19 | H11 | 89.5° | 90.0° |
| C20 | C18 | C19 | H12 | 30.5° | 29.9° |
| C20 | C18 | C19 | H13 | 150.5° | 149.9° |
| C18 | C20 | C21 | H14 | 90.6° | 89.9° |
| C18 | C20 | C21 | H15 | 149.4° | 150.0° |
| C18 | C20 | C21 | H16 | 29.4° | 30.1° |
| C7 | C6 | C5 | H18 | 180.0° | 180.0° |
| C6 | C7 | C22 | C20 | 179.2° | 179.8° |
| C6 | C7 | C22 | C23 | 1.1° | 0.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.8° |
| C7 | C6 | C5 | H19 | 179.5° | 180.0° |
| C22 | C7 | C6 | C5 | 0.9° | 0.2° |
| C7 | C22 | C20 | C23 | 179.7° | 179.8° |
| C7 | C22 | C20 | C21 | 179.2° | 179.7° |
| C7 | C22 | C23 | C4 | 0.9° | 0.3° |
| C7 | C22 | C23 | H17 | 179.0° | 179.7° |
| C22 | C7 | C6 | H18 | 179.1° | 179.8° |
| C6 | C5 | C4 | H19 | 180.0° | 179.3° |
| C6 | C5 | C4 | C23 | 0.3° | 1.1° |
| C6 | C5 | C4 | C3 | 177.6° | 179.8° |
| C20 | C22 | C23 | C4 | 179.4° | 180.0° |
| C22 | C20 | C21 | H14 | 90.6° | 90.0° |
| C22 | C20 | C21 | H15 | 29.4° | 30.1° |
| C22 | C20 | C21 | H16 | 149.4° | 150.0° |
| C20 | C22 | C23 | H17 | 0.6° | 0.0° |
| C21 | C20 | C22 | C23 | 0.5° | 0.1° |
| C20 | C21 | H14 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C22 | C23 | C4 | C5 | 0.5° | 0.8° |
| C22 | C23 | C4 | H17 | 180.0° | 180.0° |
| C22 | C23 | C4 | C3 | 177.6° | 180.0° |
| C5 | C4 | C23 | C3 | 177.1° | 179.2° |
| C5 | C4 | C3 | O1 | 44.9° | 179.1° |
| C5 | C4 | C3 | N1 | 124.4° | 0.9° |
| C5 | C4 | C23 | H17 | 179.5° | 179.2° |
| C4 | C5 | C6 | H18 | 179.5° | 179.3° |
| C23 | C4 | C3 | O1 | 138.0° | 0.0° |
| C23 | C4 | C3 | N1 | 52.7° | 180.0° |
| C23 | C4 | C5 | H19 | 179.7° | 179.7° |
| C4 | C3 | O1 | N1 | 168.4° | 180.0° |
| C4 | C3 | N1 | C2 | 172.9° | 180.0° |
| C3 | C4 | C23 | H17 | 2.3° | 0.0° |
| C3 | C4 | C5 | H19 | 2.4° | 0.5° |
| C4 | C3 | N1 | H20 | 7.1° | 0.0° |
| O1 | C3 | N1 | C2 | 3.6° | 0.0° |
| O1 | C3 | N1 | H20 | 176.4° | 180.0° |
| C3 | N1 | C2 | H20 | 180.0° | 179.9° |
| C3 | N1 | C2 | C24 | 100.3° | 155.0° |
| C3 | N1 | C2 | C1 | 135.6° | 85.0° |
| C3 | N1 | C2 | H21 | 18.2° | 35.0° |
| C32 | C30 | C27 | C28 | 57.6° | 0.0° |
| C32 | C30 | C33 | C27 | 123.7° | 120.0° |
| C32 | C30 | C33 | C31 | 114.6° | 120.0° |
| C32 | C30 | C27 | C31 | 119.0° | 120.0° |
| C32 | C30 | C27 | C26 | 122.5° | 180.0° |
| C30 | C32 | H27 | H28 | 120.0° | 120.0° |
| C30 | C32 | H27 | H29 | 120.0° | 120.0° |
| C30 | C32 | H28 | H29 | 120.0° | 120.0° |
| C32 | C30 | C33 | H30 | 180.0° | 180.0° |
| C32 | C30 | C33 | H31 | 60.0° | 59.9° |
| C32 | C30 | C33 | H32 | 60.0° | 60.0° |
| C32 | C30 | C31 | H33 | 180.0° | 60.0° |
| C32 | C30 | C31 | H34 | 60.0° | 60.0° |
| C32 | C30 | C31 | H35 | 60.0° | 180.0° |
| N1 | C2 | C24 | C29 | 6.9° | 39.7° |
| N1 | C2 | C24 | C1 | 124.7° | 120.0° |
| N1 | C2 | C24 | H21 | 118.0° | 120.0° |
| N1 | C2 | C24 | C25 | 172.2° | 140.0° |
| N1 | C2 | C1 | H21 | 117.8° | 120.0° |
| N1 | C2 | C1 | H22 | 180.0° | 60.0° |
| N1 | C2 | C1 | H23 | 60.0° | 180.0° |
| N1 | C2 | C1 | H24 | 60.0° | 60.0° |
| C29 | C28 | C27 | H36 | 180.0° | 179.4° |
| C28 | C29 | C24 | H37 | 180.0° | 179.5° |
| C29 | C28 | C27 | C30 | 179.0° | 179.8° |
| C29 | C28 | C27 | C26 | 1.1° | 0.3° |
| C28 | C29 | C24 | C2 | 179.7° | 179.7° |
| C28 | C29 | C24 | C25 | 0.6° | 0.5° |
| C27 | C28 | C29 | C24 | 1.2° | 0.5° |
| C28 | C27 | C30 | C33 | 64.1° | 120.0° |
| C28 | C27 | C30 | C26 | 179.9° | 180.0° |
| C28 | C27 | C30 | C31 | 176.5° | 120.0° |
| C28 | C27 | C26 | C25 | 0.6° | NaN° |
| C28 | C27 | C26 | H26 | 179.4° | 180.0° |
| C27 | C28 | C29 | H37 | 178.8° | 180.0° |
| C29 | C24 | C2 | C25 | 179.1° | 179.7° |
| C29 | C24 | C2 | C1 | 117.8° | 80.3° |
| C29 | C24 | C25 | C26 | 0.1° | 0.3° |
| C29 | C24 | C2 | H21 | 124.9° | 159.7° |
| C29 | C24 | C25 | H25 | 179.9° | 179.7° |
| C24 | C29 | C28 | H36 | 178.8° | 180.0° |
| C33 | C30 | C27 | C31 | 119.4° | 120.0° |
| C33 | C30 | C27 | C26 | 115.8° | 60.0° |
| C33 | C30 | C32 | H27 | 180.0° | 60.0° |
| C33 | C30 | C32 | H28 | 60.0° | 60.0° |
| C33 | C30 | C32 | H29 | 60.0° | 180.0° |
| C30 | C33 | H30 | H31 | 120.0° | 120.1° |
| C30 | C33 | H30 | H32 | 120.0° | 120.0° |
| C30 | C33 | H31 | H32 | 120.0° | 120.0° |
| C33 | C30 | C31 | H33 | 63.8° | 180.0° |
| C33 | C30 | C31 | H34 | 176.2° | 60.0° |
| C33 | C30 | C31 | H35 | 56.3° | 60.0° |
| C30 | C27 | C26 | C25 | 179.5° | 180.0° |
| C30 | C27 | C26 | H26 | 0.5° | 0.0° |
| C27 | C30 | C32 | H27 | 57.3° | 60.0° |
| C27 | C30 | C32 | H28 | 62.7° | 180.0° |
| C27 | C30 | C32 | H29 | 177.4° | 60.0° |
| C27 | C30 | C33 | H30 | 56.3° | 60.0° |
| C27 | C30 | C33 | H31 | 176.3° | 179.9° |
| C27 | C30 | C33 | H32 | 63.7° | 60.0° |
| C27 | C30 | C31 | H33 | 57.4° | 60.0° |
| C27 | C30 | C31 | H34 | 62.6° | 180.0° |
| C27 | C30 | C31 | H35 | 177.5° | 60.0° |
| C30 | C27 | C28 | H36 | 1.0° | 0.3° |
| C31 | C30 | C27 | C26 | 3.6° | 60.0° |
| C31 | C30 | C32 | H27 | 64.6° | 180.0° |
| C31 | C30 | C32 | H28 | 175.4° | 60.0° |
| C31 | C30 | C32 | H29 | 55.4° | 60.0° |
| C31 | C30 | C33 | H30 | 65.4° | 60.0° |
| C31 | C30 | C33 | H31 | 54.5° | 60.1° |
| C31 | C30 | C33 | H32 | 174.6° | 180.0° |
| C30 | C31 | H33 | H34 | 120.0° | 120.0° |
| C30 | C31 | H33 | H35 | 120.0° | 120.0° |
| C30 | C31 | H34 | H35 | 120.0° | 120.1° |
| C27 | C26 | C25 | C24 | 0.1° | NaN° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | H25 | 179.9° | 180.0° |
| C26 | C27 | C28 | H36 | 178.9° | 179.7° |
| C24 | C2 | C1 | H21 | 118.2° | 120.0° |
| C2 | C24 | C25 | C26 | 179.3° | 180.0° |
| C24 | C2 | N1 | H20 | 79.7° | 25.0° |
| C24 | C2 | C1 | H22 | 55.9° | 180.0° |
| C24 | C2 | C1 | H23 | 64.1° | 60.0° |
| C24 | C2 | C1 | H24 | 176.0° | 60.0° |
| C2 | C24 | C25 | H25 | 0.7° | 0.0° |
| C2 | C24 | C29 | H37 | 0.3° | 0.2° |
| C25 | C24 | C2 | C1 | 63.1° | 100.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C2 | H21 | 54.2° | 20.0° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C24 | C29 | H37 | 179.4° | 180.0° |
| C1 | C2 | N1 | H20 | 44.4° | 95.0° |
| C2 | C1 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | H22 | H24 | 120.0° | 120.0° |
| C2 | C1 | H23 | H24 | 120.0° | 120.0° |
| H1 | C10 | C11 | H2 | 0.1° | 0.3° |
| H4 | C14 | C15 | H5 | 62.4° | 60.0° |
| H4 | C14 | C15 | H6 | 57.6° | 180.0° |
| H4 | C14 | C15 | H7 | 177.6° | 60.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H11 | C19 | H12 | H13 | 119.9° | 120.0° |
| H14 | C21 | H15 | H16 | 120.0° | 120.0° |
| H18 | C6 | C5 | H19 | 0.5° | 0.0° |
| H20 | N1 | C2 | H21 | 161.8° | 145.0° |
| H21 | C2 | C1 | H22 | 62.2° | 60.0° |
| H21 | C2 | C1 | H23 | 177.8° | 60.0° |
| H21 | C2 | C1 | H24 | 57.8° | 180.0° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
| H27 | C32 | H28 | H29 | 120.0° | 120.0° |
| H30 | C33 | H31 | H32 | 120.0° | 120.0° |
| H33 | C31 | H34 | H35 | 120.0° | 119.9° |
| H36 | C28 | C29 | H37 | 1.2° | 0.5° |
