0MR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N29 | sing | 1.32Å | 1.35Å | Aromatic |
| O35 | N34 | sing | 1.22Å | 1.25Å | |
| O38 | N34 | doub | 1.22Å | 1.25Å | |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N34 | C15 | sing | 1.48Å | 1.42Å | |
| N29 | C19 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.48Å | |
| C15 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| N33 | C14 | sing | 1.40Å | 1.40Å | |
| N33 | C22 | sing | 1.35Å | 1.40Å | |
| C9 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | O37 | doub | 1.21Å | 1.23Å | |
| C17 | CL4 | sing | 1.74Å | 1.72Å | |
| C17 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N31 | sing | 1.40Å | 1.40Å | |
| C23 | N31 | sing | 1.47Å | 1.47Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| N31 | C24 | sing | 1.47Å | 1.47Å | |
| C25 | N32 | sing | 1.47Å | 1.46Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| N32 | C26 | sing | 1.47Å | 1.46Å | |
| N32 | C21 | sing | 1.35Å | 1.40Å | |
| C21 | O36 | doub | 1.22Å | 1.23Å | |
| C21 | C12 | sing | 1.47Å | 1.47Å | |
| C28 | O40 | sing | 1.43Å | 1.43Å | |
| C6 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| O40 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.48Å | 1.41Å | Aromatic |
| C12 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C18 | sing | 1.48Å | 1.44Å | |
| C18 | N30 | doub | 1.31Å | 1.33Å | Aromatic |
| C20 | C27 | sing | 1.51Å | 1.47Å | |
| C20 | O39 | sing | 1.34Å | 1.36Å | Aromatic |
| N30 | O39 | sing | 1.21Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| N33 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C10 | N29 | 123.8° | 120.9° |
| C10 | C4 | C3 | 118.0° | 119.4° |
| C10 | C4 | H4 | 121.0° | 120.3° |
| C4 | C10 | H10 | 118.1° | 119.6° |
| C10 | N29 | C19 | 116.6° | 121.6° |
| N29 | C10 | H10 | 118.1° | 119.5° |
| O35 | N34 | O38 | 122.5° | 119.9° |
| O35 | N34 | C15 | 118.5° | 120.0° |
| O38 | N34 | C15 | 117.2° | 120.0° |
| C4 | C3 | C7 | 119.7° | 118.5° |
| C4 | C3 | H3 | 120.1° | 120.8° |
| C3 | C4 | H4 | 121.0° | 120.3° |
| N34 | C15 | C9 | 118.6° | 119.9° |
| N34 | C15 | C14 | 120.7° | 120.0° |
| N29 | C19 | C7 | 123.9° | 120.5° |
| N29 | C19 | C22 | 115.6° | 119.7° |
| C3 | C7 | C19 | 118.0° | 119.1° |
| C7 | C3 | H3 | 120.1° | 120.7° |
| C3 | C7 | H7 | 121.0° | 120.4° |
| C7 | C19 | C22 | 120.5° | 119.7° |
| C19 | C7 | H7 | 121.0° | 120.5° |
| C19 | C22 | N33 | 114.7° | 120.0° |
| C19 | C22 | O37 | 121.3° | 120.0° |
| C9 | C15 | C14 | 120.6° | 120.1° |
| C15 | C9 | C17 | 119.6° | 120.1° |
| C15 | C9 | H9 | 120.2° | 120.0° |
| C15 | C14 | N33 | 119.7° | 120.0° |
| C15 | C14 | C8 | 120.1° | 120.0° |
| C14 | N33 | C22 | 129.9° | 120.0° |
| N33 | C14 | C8 | 120.2° | 120.0° |
| C14 | N33 | H25 | 115.1° | 120.0° |
| N33 | C22 | O37 | 124.0° | 120.0° |
| C22 | N33 | H25 | 115.0° | 120.0° |
| C9 | C17 | CL4 | 116.3° | 119.9° |
| C9 | C17 | C13 | 120.4° | 120.1° |
| C17 | C9 | H9 | 120.2° | 119.9° |
| C14 | C8 | C13 | 119.5° | 119.8° |
| C14 | C8 | H8 | 120.2° | 120.1° |
| CL4 | C17 | C13 | 123.3° | 120.0° |
| C17 | C13 | C8 | 119.7° | 120.0° |
| C17 | C13 | N31 | 122.0° | 120.0° |
| C8 | C13 | N31 | 118.3° | 120.0° |
| C13 | C8 | H8 | 120.2° | 120.1° |
| C13 | N31 | C23 | 118.8° | 111.0° |
| C13 | N31 | C24 | 115.2° | 111.0° |
| N31 | C23 | C25 | 109.8° | 109.3° |
| C23 | N31 | C24 | 113.9° | 111.2° |
| N31 | C23 | H11 | 109.4° | 109.5° |
| N31 | C23 | H12 | 109.4° | 109.5° |
| C23 | C25 | N32 | 111.3° | 108.5° |
| C25 | C23 | H11 | 109.4° | 109.5° |
| C25 | C23 | H12 | 109.4° | 109.5° |
| C23 | C25 | H15 | 109.0° | 109.6° |
| C23 | C25 | H16 | 109.0° | 109.6° |
| N31 | C24 | C26 | 112.2° | 109.3° |
| N31 | C24 | H13 | 108.8° | 109.4° |
| N31 | C24 | H14 | 108.8° | 109.5° |
| C25 | N32 | C26 | 114.2° | 118.2° |
| C25 | N32 | C21 | 124.7° | 120.9° |
| N32 | C25 | H15 | 109.0° | 109.6° |
| N32 | C25 | H16 | 109.0° | 109.7° |
| C24 | C26 | N32 | 112.3° | 108.5° |
| C26 | C24 | H13 | 108.8° | 109.5° |
| C26 | C24 | H14 | 108.8° | 109.6° |
| C24 | C26 | H17 | 108.8° | 109.6° |
| C24 | C26 | H18 | 108.8° | 109.7° |
| C26 | N32 | C21 | 121.1° | 120.9° |
| N32 | C26 | H17 | 108.8° | 109.6° |
| N32 | C26 | H18 | 108.7° | 109.8° |
| N32 | C21 | O36 | 124.0° | 120.0° |
| N32 | C21 | C12 | 120.2° | 120.0° |
| O36 | C21 | C12 | 115.7° | 120.0° |
| C21 | C12 | C18 | 131.1° | 128.6° |
| C21 | C12 | C20 | 125.5° | 128.6° |
| C28 | O40 | C16 | 117.4° | 117.0° |
| O40 | C28 | H22 | 109.5° | 109.4° |
| O40 | C28 | H23 | 109.5° | 109.4° |
| O40 | C28 | H24 | 109.5° | 109.5° |
| C2 | C6 | C16 | 120.1° | 120.0° |
| C6 | C2 | C1 | 119.9° | 120.4° |
| C6 | C2 | H2 | 120.0° | 119.9° |
| C2 | C6 | H6 | 119.9° | 120.0° |
| C6 | C16 | O40 | 119.0° | 120.1° |
| C6 | C16 | C11 | 119.9° | 119.8° |
| C16 | C6 | H6 | 119.9° | 120.0° |
| C2 | C1 | C5 | 120.0° | 120.2° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 119.8° |
| O40 | C16 | C11 | 121.1° | 120.1° |
| C16 | C11 | C5 | 120.0° | 119.7° |
| C16 | C11 | C18 | 121.2° | 120.1° |
| C1 | C5 | C11 | 120.0° | 120.0° |
| C5 | C1 | H1 | 120.0° | 119.9° |
| C1 | C5 | H5 | 120.0° | 120.0° |
| C18 | C12 | C20 | 103.4° | 102.8° |
| C12 | C18 | C11 | 128.4° | 127.4° |
| C12 | C18 | N30 | 112.5° | 105.1° |
| C12 | C20 | C27 | 134.3° | 126.7° |
| C12 | C20 | O39 | 109.8° | 106.6° |
| C5 | C11 | C18 | 118.8° | 120.2° |
| C11 | C5 | H5 | 120.0° | 120.0° |
| C11 | C18 | N30 | 119.1° | 127.4° |
| C18 | N30 | O39 | 104.9° | 112.1° |
| C27 | C20 | O39 | 115.9° | 126.7° |
| C20 | C27 | H19 | 109.5° | 109.5° |
| C20 | C27 | H20 | 109.5° | 109.5° |
| C20 | C27 | H21 | 109.5° | 109.5° |
| C20 | O39 | N30 | 109.4° | 113.4° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.7° |
| H17 | C26 | H18 | 109.5° | 109.6° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H19 | C27 | H21 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C10 | N29 | H10 | 180.0° | 179.9° |
| C10 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C10 | N29 | C19 | 0.0° | 0.4° |
| C10 | C4 | C3 | C7 | 0.1° | 0.1° |
| C10 | C4 | C3 | H3 | 179.9° | 179.8° |
| N29 | C10 | C4 | C3 | 0.0° | 0.1° |
| C10 | N29 | C19 | C7 | 0.0° | 0.6° |
| C10 | N29 | C19 | C22 | 179.9° | 179.9° |
| N29 | C10 | C4 | H4 | 180.0° | 180.0° |
| O35 | N34 | O38 | C15 | 164.4° | 180.0° |
| O35 | N34 | C15 | C9 | 2.8° | 5.3° |
| O35 | N34 | C15 | C14 | 177.1° | 174.4° |
| O38 | N34 | C15 | C9 | 167.9° | 174.7° |
| O38 | N34 | C15 | C14 | 12.1° | 5.6° |
| C4 | C3 | C7 | H3 | 180.0° | 179.7° |
| C4 | C3 | C7 | C19 | 0.1° | 0.3° |
| C4 | C3 | C7 | H7 | 179.9° | 179.6° |
| C3 | C4 | C10 | H10 | 180.0° | 180.0° |
| N34 | C15 | C9 | C14 | 179.9° | 179.7° |
| N34 | C15 | C14 | N33 | 0.0° | 0.3° |
| N34 | C15 | C9 | C17 | 179.8° | 180.0° |
| N34 | C15 | C14 | C8 | 179.7° | 179.7° |
| N34 | C15 | C9 | H9 | 0.2° | 0.0° |
| N29 | C19 | C7 | C3 | 0.1° | 0.6° |
| N29 | C19 | C7 | C22 | 179.9° | 179.5° |
| N29 | C19 | C22 | N33 | 0.2° | 0.5° |
| N29 | C19 | C22 | O37 | 180.0° | 179.4° |
| N29 | C19 | C7 | H7 | 179.9° | 179.4° |
| C19 | N29 | C10 | H10 | 180.0° | 179.7° |
| C3 | C7 | C19 | H7 | 180.0° | 179.9° |
| C3 | C7 | C19 | C22 | 180.0° | 180.0° |
| C7 | C3 | C4 | H4 | 179.9° | 180.0° |
| C7 | C19 | C22 | N33 | 179.9° | 180.0° |
| C7 | C19 | C22 | O37 | 0.0° | 0.1° |
| C19 | C7 | C3 | H3 | 179.9° | 180.0° |
| C19 | C22 | N33 | C14 | 179.9° | 174.4° |
| C19 | C22 | N33 | O37 | 179.8° | 179.9° |
| C22 | C19 | C7 | H7 | 0.0° | 0.1° |
| C19 | C22 | N33 | H25 | 0.1° | 5.5° |
| C9 | C15 | C14 | N33 | 179.9° | 180.0° |
| C15 | C9 | C17 | H9 | 180.0° | 179.9° |
| C9 | C15 | C14 | C8 | 0.3° | 0.1° |
| C15 | C9 | C17 | CL4 | 179.8° | 180.0° |
| C15 | C9 | C17 | C13 | 0.2° | 0.6° |
| C15 | C14 | N33 | C8 | 179.8° | 180.0° |
| C15 | C14 | N33 | C22 | 180.0° | 154.8° |
| C14 | C15 | C9 | C17 | 0.2° | 0.3° |
| C15 | C14 | C8 | C13 | 0.4° | 0.0° |
| C15 | C14 | C8 | H8 | 179.6° | 179.7° |
| C14 | C15 | C9 | H9 | 179.8° | 179.7° |
| C15 | C14 | N33 | H25 | 0.0° | 25.3° |
| C14 | N33 | C22 | H25 | 180.0° | 179.9° |
| C14 | N33 | C22 | O37 | 0.0° | 5.7° |
| N33 | C14 | C8 | C13 | 179.8° | 180.0° |
| N33 | C14 | C8 | H8 | 0.2° | 0.3° |
| C22 | N33 | C14 | C8 | 0.2° | 25.2° |
| C9 | C17 | CL4 | C13 | 179.9° | 179.4° |
| C9 | C17 | C13 | C8 | 0.2° | 0.5° |
| C9 | C17 | C13 | N31 | 179.5° | 179.4° |
| C14 | C8 | C13 | C17 | 0.3° | 0.2° |
| C14 | C8 | C13 | H8 | 180.0° | 179.7° |
| C14 | C8 | C13 | N31 | 179.6° | 179.7° |
| C8 | C14 | N33 | H25 | 179.8° | 154.7° |
| O37 | C22 | N33 | H25 | 179.9° | 174.4° |
| CL4 | C17 | C13 | C8 | 179.7° | 180.0° |
| CL4 | C17 | C13 | N31 | 0.4° | 0.0° |
| CL4 | C17 | C9 | H9 | 0.2° | 0.1° |
| C17 | C13 | C8 | N31 | 179.3° | 180.0° |
| C17 | C13 | N31 | C23 | 148.5° | 120.0° |
| C17 | C13 | N31 | C24 | 71.2° | 115.7° |
| C17 | C13 | C8 | H8 | 179.6° | 179.9° |
| C13 | C17 | C9 | H9 | 179.8° | 179.5° |
| C8 | C13 | N31 | C23 | 32.3° | 60.0° |
| C8 | C13 | N31 | C24 | 108.1° | 64.2° |
| C13 | N31 | C23 | C24 | 140.9° | 124.2° |
| C13 | N31 | C23 | C25 | 163.9° | 172.7° |
| C13 | N31 | C24 | C26 | 166.1° | 172.7° |
| N31 | C13 | C8 | H8 | 0.4° | 0.0° |
| C13 | N31 | C23 | H11 | 43.8° | 67.3° |
| C13 | N31 | C23 | H12 | 76.1° | 52.8° |
| C13 | N31 | C24 | H13 | 73.5° | 52.8° |
| C13 | N31 | C24 | H14 | 45.7° | 67.2° |
| N31 | C23 | C25 | H11 | 120.1° | 119.9° |
| N31 | C23 | C25 | H12 | 120.0° | 120.0° |
| N31 | C23 | C25 | N32 | 55.4° | 53.8° |
| C23 | N31 | C24 | C26 | 51.6° | 63.2° |
| N31 | C23 | H11 | H12 | 119.9° | 120.1° |
| C23 | N31 | C24 | H13 | 68.8° | 176.9° |
| C23 | N31 | C24 | H14 | 172.0° | 56.9° |
| N31 | C23 | C25 | H15 | 64.9° | 65.9° |
| N31 | C23 | C25 | H16 | 175.7° | 173.6° |
| C25 | C23 | N31 | C24 | 55.3° | 63.1° |
| C23 | C25 | N32 | H15 | 120.3° | 119.7° |
| C23 | C25 | N32 | H16 | 120.3° | 119.7° |
| C23 | C25 | N32 | C26 | 54.2° | 51.2° |
| C23 | C25 | N32 | C21 | 126.7° | 128.9° |
| C25 | C23 | H11 | H12 | 119.9° | 120.1° |
| C23 | C25 | H15 | H16 | 119.1° | 120.5° |
| N31 | C24 | C26 | H13 | 120.4° | 119.9° |
| N31 | C24 | C26 | H14 | 120.4° | 120.0° |
| N31 | C24 | C26 | N32 | 47.2° | 53.9° |
| C24 | N31 | C23 | H11 | 175.3° | 56.8° |
| C24 | N31 | C23 | H12 | 64.8° | 176.9° |
| N31 | C24 | H13 | H14 | 118.8° | 120.0° |
| N31 | C24 | C26 | H17 | 167.7° | 173.6° |
| N31 | C24 | C26 | H18 | 73.2° | 66.0° |
| C25 | N32 | C26 | C24 | 49.8° | 51.2° |
| C25 | N32 | C26 | C21 | 179.2° | 180.0° |
| C25 | N32 | C21 | O36 | 0.1° | 0.0° |
| C25 | N32 | C21 | C12 | 179.8° | 180.0° |
| N32 | C25 | C23 | H11 | 175.5° | 66.1° |
| N32 | C25 | C23 | H12 | 64.6° | 173.8° |
| N32 | C25 | H15 | H16 | 119.2° | 120.5° |
| C25 | N32 | C26 | H17 | 170.2° | 170.9° |
| C25 | N32 | C26 | H18 | 70.6° | 68.7° |
| C24 | C26 | N32 | H17 | 120.4° | 119.7° |
| C24 | C26 | N32 | H18 | 120.4° | 119.9° |
| C24 | C26 | N32 | C21 | 131.1° | 128.8° |
| C26 | C24 | H13 | H14 | 118.7° | 120.2° |
| C24 | C26 | H17 | H18 | 118.7° | 120.5° |
| C26 | N32 | C21 | O36 | 179.2° | 180.0° |
| C26 | N32 | C21 | C12 | 0.7° | 0.1° |
| N32 | C26 | C24 | H13 | 73.2° | 173.7° |
| N32 | C26 | C24 | H14 | 167.6° | 66.1° |
| C26 | N32 | C25 | H15 | 66.0° | 68.6° |
| C26 | N32 | C25 | H16 | 174.5° | 170.9° |
| N32 | C26 | H17 | H18 | 118.7° | 120.5° |
| N32 | C21 | O36 | C12 | 179.9° | 179.9° |
| N32 | C21 | C12 | C18 | 56.6° | 89.9° |
| N32 | C21 | C12 | C20 | 124.4° | 89.7° |
| C21 | N32 | C25 | H15 | 113.1° | 111.4° |
| C21 | N32 | C25 | H16 | 6.4° | 9.1° |
| C21 | N32 | C26 | H17 | 10.6° | 9.1° |
| C21 | N32 | C26 | H18 | 108.5° | 111.3° |
| O36 | C21 | C12 | C18 | 123.5° | 90.0° |
| O36 | C21 | C12 | C20 | 55.5° | 90.4° |
| C21 | C12 | C18 | C20 | 179.2° | 179.7° |
| C21 | C12 | C18 | C11 | 0.9° | 0.3° |
| C21 | C12 | C18 | N30 | 179.7° | 179.7° |
| C21 | C12 | C20 | C27 | 0.6° | 0.3° |
| C21 | C12 | C20 | O39 | 179.9° | 179.8° |
| C28 | O40 | C16 | C6 | 2.1° | 0.1° |
| C28 | O40 | C16 | C11 | 177.8° | 179.8° |
| O40 | C28 | H22 | H23 | 120.0° | 119.9° |
| O40 | C28 | H22 | H24 | 120.0° | 120.0° |
| O40 | C28 | H23 | H24 | 120.0° | 120.0° |
| C2 | C6 | C16 | H6 | 180.0° | 179.9° |
| C6 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C6 | C16 | O40 | 179.7° | 180.0° |
| C2 | C6 | C16 | C11 | 0.2° | 0.1° |
| C6 | C2 | C1 | C5 | 0.1° | 0.0° |
| C6 | C2 | C1 | H1 | 179.9° | 179.7° |
| C16 | C6 | C2 | C1 | 0.0° | 0.1° |
| C6 | C16 | O40 | C11 | 179.9° | 179.9° |
| C6 | C16 | C11 | C5 | 0.3° | 0.4° |
| C6 | C16 | C11 | C18 | 179.8° | 179.9° |
| C16 | C6 | C2 | H2 | 180.0° | 179.9° |
| C2 | C1 | C5 | H1 | 180.0° | 179.7° |
| C2 | C1 | C5 | C11 | 0.0° | 0.3° |
| C2 | C1 | C5 | H5 | 180.0° | 179.7° |
| C1 | C2 | C6 | H6 | 180.0° | 180.0° |
| O40 | C16 | C11 | C5 | 179.6° | 179.7° |
| O40 | C16 | C11 | C18 | 0.3° | 0.2° |
| O40 | C16 | C6 | H6 | 0.3° | 0.1° |
| C16 | O40 | C28 | H22 | 180.0° | 60.0° |
| C16 | O40 | C28 | H23 | 60.0° | 60.0° |
| C16 | O40 | C28 | H24 | 60.0° | 180.0° |
| C16 | C11 | C5 | C1 | 0.2° | 0.5° |
| C16 | C11 | C18 | C12 | 47.1° | 179.5° |
| C16 | C11 | C5 | C18 | 179.9° | 179.5° |
| C16 | C11 | C18 | N30 | 133.5° | 0.5° |
| C16 | C11 | C5 | H5 | 179.8° | 179.5° |
| C11 | C16 | C6 | H6 | 179.8° | 179.8° |
| C1 | C5 | C11 | H5 | 180.0° | 180.0° |
| C1 | C5 | C11 | C18 | 179.9° | 180.0° |
| C5 | C1 | C2 | H2 | 179.9° | 180.0° |
| C12 | C18 | C11 | C5 | 133.0° | 0.0° |
| C12 | C18 | C11 | N30 | 179.4° | 179.9° |
| C18 | C12 | C20 | C27 | 179.9° | 180.0° |
| C18 | C12 | C20 | O39 | 0.6° | 0.1° |
| C12 | C18 | N30 | O39 | 0.2° | 0.0° |
| C20 | C12 | C18 | C11 | 179.9° | 180.0° |
| C20 | C12 | C18 | N30 | 0.5° | 0.0° |
| C12 | C20 | C27 | O39 | 179.5° | 179.9° |
| C12 | C20 | O39 | N30 | 0.5° | 0.1° |
| C12 | C20 | C27 | H19 | 179.5° | 90.0° |
| C12 | C20 | C27 | H20 | 59.5° | 150.1° |
| C12 | C20 | C27 | H21 | 60.5° | 30.1° |
| C5 | C11 | C18 | N30 | 46.4° | 180.0° |
| C11 | C5 | C1 | H1 | 180.0° | 180.0° |
| C11 | C18 | N30 | O39 | 179.7° | 179.9° |
| C18 | C11 | C5 | H5 | 0.1° | 0.0° |
| C18 | N30 | O39 | C20 | 0.2° | 0.0° |
| C27 | C20 | O39 | N30 | 179.9° | 180.0° |
| C20 | C27 | H19 | H20 | 120.0° | 119.9° |
| C20 | C27 | H19 | H21 | 120.0° | 120.1° |
| C20 | C27 | H20 | H21 | 120.0° | 120.0° |
| O39 | C20 | C27 | H19 | 0.0° | 89.9° |
| O39 | C20 | C27 | H20 | 120.0° | 30.0° |
| O39 | C20 | C27 | H21 | 120.0° | 150.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.3° |
| H1 | C1 | C5 | H5 | 0.0° | 0.0° |
| H2 | C2 | C6 | H6 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.3° |
| H3 | C3 | C7 | H7 | 0.1° | 0.1° |
| H4 | C4 | C10 | H10 | 0.1° | 0.1° |
| H11 | C23 | C25 | H15 | 55.2° | 174.1° |
| H11 | C23 | C25 | H16 | 64.2° | 53.6° |
| H12 | C23 | C25 | H15 | 175.1° | 54.0° |
| H12 | C23 | C25 | H16 | 55.7° | 66.5° |
| H13 | C24 | C26 | H17 | 47.2° | 66.6° |
| H13 | C24 | C26 | H18 | 166.4° | 53.8° |
| H14 | C24 | C26 | H17 | 71.9° | 53.5° |
| H14 | C24 | C26 | H18 | 47.2° | 173.9° |
| H19 | C27 | H20 | H21 | 120.0° | 120.0° |
| H22 | C28 | H23 | H24 | 120.0° | 120.0° |
