W2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C25 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | N35 | sing | 1.47Å | 1.45Å | |
| O36 | C19 | doub | 1.22Å | 1.22Å | |
| N35 | C19 | sing | 1.35Å | 1.38Å | |
| C19 | N34 | sing | 1.35Å | 1.38Å | |
| CL1 | C17 | sing | 1.74Å | 1.73Å | |
| N34 | C13 | sing | 1.40Å | 1.41Å | |
| C7 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| O38 | C15 | sing | 1.36Å | 1.39Å | |
| O38 | C16 | sing | 1.36Å | 1.38Å | |
| C13 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N33 | sing | 1.40Å | 1.41Å | |
| N33 | C18 | sing | 1.39Å | 1.42Å | |
| N31 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N31 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | N30 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N32 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.38Å | Aromatic |
| O37 | C28 | sing | 1.43Å | 1.41Å | |
| C26 | N32 | sing | 1.46Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| N30 | C11 | sing | 1.33Å | 1.35Å | Aromatic |
| N32 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C6 | sing | 1.46Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C9 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| O39 | C27 | sing | 1.43Å | 1.42Å | |
| O39 | C29 | sing | 1.43Å | 1.43Å | |
| 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 | |
| C20 | 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 | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| N33 | H30 | sing | 0.97Å | 1.00Å | |
| N34 | H31 | sing | 0.97Å | 1.00Å | |
| N35 | H32 | sing | 0.97Å | 1.00Å | |
| O37 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C22 | C24 | 110.9° | 109.5° |
| C22 | C20 | C21 | 110.7° | 109.5° |
| C22 | C20 | H11 | 109.2° | 109.4° |
| C22 | C20 | H12 | 109.2° | 109.5° |
| C20 | C22 | H15 | 109.1° | 109.5° |
| C20 | C22 | H16 | 109.1° | 109.5° |
| C22 | C24 | C25 | 108.7° | 109.4° |
| C24 | C22 | H15 | 109.1° | 109.5° |
| C24 | C22 | H16 | 109.1° | 109.4° |
| C22 | C24 | H19 | 109.7° | 109.5° |
| C22 | C24 | H20 | 109.6° | 109.5° |
| C20 | C21 | C23 | 109.0° | 109.5° |
| C21 | C20 | H11 | 109.2° | 109.5° |
| C21 | C20 | H12 | 109.2° | 109.5° |
| C20 | C21 | H13 | 109.6° | 109.5° |
| C20 | C21 | H14 | 109.6° | 109.5° |
| C24 | C25 | C23 | 108.5° | 109.5° |
| C24 | C25 | N35 | 112.4° | 109.5° |
| C25 | C24 | H19 | 109.6° | 109.5° |
| C25 | C24 | H20 | 109.7° | 109.5° |
| C24 | C25 | H21 | 107.9° | 109.5° |
| C21 | C23 | C25 | 110.4° | 109.5° |
| C23 | C21 | H13 | 109.6° | 109.4° |
| C23 | C21 | H14 | 109.6° | 109.5° |
| C21 | C23 | H17 | 109.2° | 109.5° |
| C21 | C23 | H18 | 109.2° | 109.5° |
| C23 | C25 | N35 | 111.3° | 109.5° |
| C25 | C23 | H17 | 109.2° | 109.5° |
| C25 | C23 | H18 | 109.3° | 109.4° |
| C23 | C25 | H21 | 107.9° | 109.5° |
| C25 | N35 | C19 | 122.6° | 120.0° |
| N35 | C25 | H21 | 108.7° | 109.5° |
| C25 | N35 | H32 | 118.8° | 120.0° |
| O36 | C19 | N35 | 122.2° | 120.0° |
| O36 | C19 | N34 | 126.6° | 120.0° |
| N35 | C19 | N34 | 111.0° | 120.0° |
| C19 | N35 | H32 | 118.7° | 120.0° |
| C19 | N34 | C13 | 128.8° | 120.0° |
| C19 | N34 | H31 | 115.6° | 119.9° |
| CL1 | C17 | C16 | 120.5° | 120.0° |
| CL1 | C17 | C8 | 120.2° | 120.0° |
| N34 | C13 | C7 | 121.5° | 120.0° |
| N34 | C13 | C2 | 118.2° | 120.1° |
| C13 | N34 | H31 | 115.6° | 120.1° |
| C13 | C7 | C15 | 118.3° | 119.8° |
| C7 | C13 | C2 | 120.3° | 120.0° |
| C13 | C7 | H7 | 120.8° | 120.1° |
| C7 | C15 | O38 | 115.3° | 120.1° |
| C7 | C15 | C4 | 121.7° | 120.0° |
| C15 | C7 | H7 | 120.8° | 120.0° |
| C15 | O38 | C16 | 117.7° | 118.0° |
| O38 | C15 | C4 | 122.9° | 120.0° |
| O38 | C16 | C17 | 118.1° | 119.9° |
| O38 | C16 | C5 | 121.0° | 120.0° |
| C13 | C2 | C1 | 121.5° | 120.1° |
| C13 | C2 | H2 | 119.2° | 120.0° |
| C16 | C17 | C8 | 119.3° | 120.0° |
| C17 | C16 | C5 | 120.9° | 120.0° |
| C17 | C8 | C14 | 120.3° | 120.0° |
| C17 | C8 | H8 | 119.8° | 120.0° |
| C15 | C4 | C1 | 120.0° | 120.1° |
| C15 | C4 | H4 | 120.0° | 120.0° |
| C16 | C5 | C3 | 119.4° | 120.0° |
| C16 | C5 | H5 | 120.3° | 120.0° |
| C8 | C14 | C3 | 119.5° | 119.9° |
| C8 | C14 | N33 | 119.2° | 120.0° |
| C14 | C8 | H8 | 119.9° | 120.0° |
| C2 | C1 | C4 | 118.1° | 120.1° |
| C2 | C1 | H1 | 120.9° | 119.9° |
| C1 | C2 | H2 | 119.2° | 120.0° |
| C4 | C1 | H1 | 121.0° | 120.0° |
| C1 | C4 | H4 | 120.0° | 119.9° |
| C5 | C3 | C14 | 120.7° | 120.0° |
| C5 | C3 | H3 | 119.7° | 120.0° |
| C3 | C5 | H5 | 120.3° | 120.0° |
| C3 | C14 | N33 | 121.3° | 120.1° |
| C14 | C3 | H3 | 119.7° | 120.0° |
| C14 | N33 | C18 | 123.9° | 120.0° |
| C14 | N33 | H30 | 118.0° | 120.0° |
| N33 | C18 | N31 | 121.1° | 120.7° |
| N33 | C18 | C12 | 122.0° | 120.7° |
| C18 | N33 | H30 | 118.1° | 120.0° |
| C18 | N31 | C10 | 118.5° | 121.3° |
| N31 | C18 | C12 | 116.8° | 118.6° |
| N31 | C10 | N30 | 129.3° | 122.3° |
| N31 | C10 | H10 | 115.3° | 118.8° |
| C18 | C12 | N32 | 133.5° | 134.6° |
| C18 | C12 | C11 | 120.4° | 118.1° |
| C10 | N30 | C11 | 111.8° | 120.5° |
| N30 | C10 | H10 | 115.4° | 118.8° |
| N32 | C12 | C11 | 106.0° | 107.3° |
| C12 | N32 | C26 | 127.8° | 125.1° |
| C12 | N32 | C9 | 111.1° | 109.8° |
| C12 | C11 | N30 | 123.1° | 119.1° |
| C12 | C11 | C6 | 108.1° | 105.9° |
| O37 | C28 | C29 | 106.5° | 109.5° |
| O37 | C28 | H26 | 110.2° | 109.5° |
| O37 | C28 | H27 | 110.2° | 109.5° |
| C28 | O37 | H33 | 109.5° | 114.0° |
| N32 | C26 | C27 | 113.6° | 109.5° |
| C26 | N32 | C9 | 121.1° | 125.1° |
| N32 | C26 | H22 | 108.5° | 109.5° |
| N32 | C26 | H23 | 108.5° | 109.5° |
| C26 | C27 | O39 | 103.4° | 109.5° |
| C27 | C26 | H22 | 108.4° | 109.5° |
| C27 | C26 | H23 | 108.4° | 109.5° |
| C26 | C27 | H24 | 111.0° | 109.5° |
| C26 | C27 | H25 | 111.0° | 109.5° |
| N30 | C11 | C6 | 128.8° | 134.9° |
| N32 | C9 | C6 | 106.9° | 109.9° |
| N32 | C9 | H9 | 126.6° | 125.0° |
| C11 | C6 | C9 | 107.9° | 107.0° |
| C11 | C6 | H6 | 126.0° | 126.5° |
| C28 | C29 | O39 | 106.4° | 109.5° |
| C29 | C28 | H26 | 110.2° | 109.5° |
| C29 | C28 | H27 | 110.2° | 109.4° |
| C28 | C29 | H28 | 110.2° | 109.5° |
| C28 | C29 | H29 | 110.2° | 109.5° |
| C9 | C6 | H6 | 126.1° | 126.5° |
| C6 | C9 | H9 | 126.6° | 125.0° |
| C27 | O39 | C29 | 109.9° | 114.0° |
| O39 | C27 | H24 | 111.0° | 109.5° |
| O39 | C27 | H25 | 111.0° | 109.5° |
| O39 | C29 | H28 | 110.2° | 109.5° |
| O39 | C29 | H29 | 110.2° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H26 | C28 | H27 | 109.5° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C22 | C24 | H15 | 120.2° | 120.0° |
| C20 | C22 | C24 | H16 | 120.2° | 120.0° |
| C22 | C20 | C21 | H11 | 120.2° | 119.9° |
| C22 | C20 | C21 | H12 | 120.2° | 120.0° |
| C20 | C22 | C24 | C25 | 58.5° | 60.0° |
| C22 | C20 | C21 | C23 | 56.6° | 60.1° |
| C22 | C20 | H11 | H12 | 119.5° | 120.0° |
| C22 | C20 | C21 | H13 | 176.4° | 180.0° |
| C22 | C20 | C21 | H14 | 63.4° | 60.0° |
| C20 | C22 | H15 | H16 | 119.3° | 120.0° |
| C20 | C22 | C24 | H19 | 178.4° | 180.0° |
| C20 | C22 | C24 | H20 | 61.4° | 60.0° |
| C24 | C22 | C20 | C21 | 56.9° | 60.0° |
| C22 | C24 | C25 | H19 | 119.9° | 120.0° |
| C22 | C24 | C25 | H20 | 119.9° | 120.0° |
| C22 | C24 | C25 | C23 | 61.0° | 60.0° |
| C22 | C24 | C25 | N35 | 175.4° | 180.0° |
| C24 | C22 | C20 | H11 | 63.3° | 180.0° |
| C24 | C22 | C20 | H12 | 177.1° | 60.0° |
| C24 | C22 | H15 | H16 | 119.3° | 120.0° |
| C22 | C24 | H19 | H20 | 120.3° | 120.0° |
| C22 | C24 | C25 | H21 | 55.6° | 60.0° |
| C20 | C21 | C23 | H13 | 119.9° | 120.0° |
| C20 | C21 | C23 | H14 | 119.9° | 120.1° |
| C20 | C21 | C23 | C25 | 60.4° | 60.1° |
| C21 | C20 | H11 | H12 | 119.5° | 120.1° |
| C20 | C21 | H13 | H14 | 120.2° | 120.0° |
| C21 | C20 | C22 | H15 | 63.3° | 60.0° |
| C21 | C20 | C22 | H16 | 177.1° | 180.0° |
| C20 | C21 | C23 | H17 | 59.8° | 59.9° |
| C20 | C21 | C23 | H18 | 179.5° | 180.0° |
| C24 | C25 | C23 | C21 | 62.9° | 60.0° |
| C24 | C25 | C23 | N35 | 124.2° | 120.0° |
| C24 | C25 | C23 | H21 | 116.6° | 120.0° |
| C24 | C25 | N35 | H21 | 119.3° | 120.0° |
| C24 | C25 | N35 | C19 | 88.6° | 155.0° |
| C25 | C24 | C22 | H15 | 61.7° | 60.0° |
| C25 | C24 | C22 | H16 | 178.8° | 180.0° |
| C24 | C25 | C23 | H17 | 57.2° | 60.0° |
| C24 | C25 | C23 | H18 | 177.0° | 180.0° |
| C25 | C24 | H19 | H20 | 120.4° | 120.0° |
| C24 | C25 | N35 | H32 | 91.4° | 25.0° |
| C21 | C23 | C25 | H17 | 120.1° | 120.0° |
| C21 | C23 | C25 | H18 | 120.1° | 120.0° |
| C21 | C23 | C25 | N35 | 172.9° | 180.0° |
| C23 | C21 | C20 | H11 | 63.6° | 180.0° |
| C23 | C21 | C20 | H12 | 176.7° | 60.0° |
| C23 | C21 | H13 | H14 | 120.2° | 120.0° |
| C21 | C23 | H17 | H18 | 119.6° | 120.1° |
| C21 | C23 | C25 | H21 | 53.8° | 60.0° |
| C23 | C25 | N35 | H21 | 118.7° | 120.0° |
| C23 | C25 | N35 | C19 | 149.4° | 85.0° |
| C25 | C23 | C21 | H13 | 179.7° | 180.0° |
| C25 | C23 | C21 | H14 | 59.6° | 60.0° |
| C25 | C23 | H17 | H18 | 119.6° | 119.9° |
| C23 | C25 | C24 | H19 | 179.1° | 180.0° |
| C23 | C25 | C24 | H20 | 58.9° | 60.0° |
| C23 | C25 | N35 | H32 | 30.6° | 95.0° |
| C25 | N35 | C19 | O36 | 2.5° | 0.0° |
| C25 | N35 | C19 | H32 | 180.0° | 180.0° |
| C25 | N35 | C19 | N34 | 177.9° | 180.0° |
| N35 | C25 | C23 | H17 | 66.9° | 60.0° |
| N35 | C25 | C23 | H18 | 52.8° | 60.0° |
| N35 | C25 | C24 | H19 | 55.5° | 60.0° |
| N35 | C25 | C24 | H20 | 64.7° | 60.0° |
| O36 | C19 | N35 | N34 | 175.4° | 180.0° |
| O36 | C19 | N34 | C13 | 14.3° | 5.5° |
| O36 | C19 | N34 | H31 | 165.7° | 174.4° |
| O36 | C19 | N35 | H32 | 177.5° | 180.0° |
| N35 | C19 | N34 | C13 | 170.5° | 174.5° |
| C19 | N35 | C25 | H21 | 30.7° | 35.0° |
| N35 | C19 | N34 | H31 | 9.5° | 5.6° |
| C19 | N34 | C13 | H31 | 180.0° | 179.9° |
| C19 | N34 | C13 | C7 | 2.3° | 33.2° |
| C19 | N34 | C13 | C2 | 176.7° | 146.7° |
| N34 | C19 | N35 | H32 | 2.1° | 0.0° |
| CL1 | C17 | C16 | O38 | 0.1° | 0.1° |
| CL1 | C17 | C16 | C8 | 179.7° | 179.6° |
| CL1 | C17 | C16 | C5 | 179.4° | 180.0° |
| CL1 | C17 | C8 | C14 | 179.9° | 180.0° |
| CL1 | C17 | C8 | H8 | 0.1° | 0.0° |
| N34 | C13 | C7 | C2 | 178.9° | 179.9° |
| N34 | C13 | C7 | C15 | 179.6° | 180.0° |
| N34 | C13 | C2 | C1 | 180.0° | 179.8° |
| N34 | C13 | C2 | H2 | 0.0° | 0.1° |
| N34 | C13 | C7 | H7 | 0.3° | 0.2° |
| C13 | C7 | C15 | H7 | 180.0° | 179.8° |
| C13 | C7 | C15 | O38 | 178.2° | 180.0° |
| C13 | C7 | C15 | C4 | 0.0° | 0.2° |
| C7 | C13 | C2 | C1 | 1.0° | 0.1° |
| C7 | C13 | C2 | H2 | 179.0° | 180.0° |
| C7 | C13 | N34 | H31 | 177.7° | 146.9° |
| C7 | C15 | O38 | C4 | 178.2° | 179.7° |
| C7 | C15 | O38 | C16 | 137.3° | 77.6° |
| C15 | C7 | C13 | C2 | 0.7° | 0.2° |
| C7 | C15 | C4 | C1 | 0.5° | 0.1° |
| C7 | C15 | C4 | H4 | 179.5° | 179.9° |
| C15 | O38 | C16 | C17 | 138.8° | 176.0° |
| C15 | O38 | C16 | C5 | 41.7° | 3.9° |
| O38 | C15 | C4 | C1 | 177.7° | 179.8° |
| O38 | C15 | C4 | H4 | 2.3° | 0.4° |
| O38 | C15 | C7 | H7 | 1.7° | 0.2° |
| O38 | C16 | C17 | C5 | 179.5° | 179.9° |
| O38 | C16 | C17 | C8 | 179.8° | 179.7° |
| C16 | O38 | C15 | C4 | 44.5° | 102.7° |
| O38 | C16 | C5 | C3 | 179.7° | 179.9° |
| O38 | C16 | C5 | H5 | 0.3° | 0.0° |
| C13 | C2 | C1 | H2 | 180.0° | 179.9° |
| C13 | C2 | C1 | C4 | 0.6° | 0.2° |
| C13 | C2 | C1 | H1 | 179.5° | 179.9° |
| C2 | C13 | C7 | H7 | 179.3° | 180.0° |
| C2 | C13 | N34 | H31 | 3.3° | 33.2° |
| C16 | C17 | C8 | C14 | 0.2° | 0.4° |
| C17 | C16 | C5 | C3 | 0.2° | 0.0° |
| C17 | C16 | C5 | H5 | 179.8° | 179.9° |
| C16 | C17 | C8 | H8 | 179.8° | 179.7° |
| C8 | C17 | C16 | C5 | 0.3° | 0.4° |
| C17 | C8 | C14 | H8 | 180.0° | 180.0° |
| C17 | C8 | C14 | C3 | 0.9° | 0.0° |
| C17 | C8 | C14 | N33 | 178.5° | 180.0° |
| C15 | C4 | C1 | C2 | 0.2° | 0.2° |
| C15 | C4 | C1 | H4 | 180.0° | 179.8° |
| C15 | C4 | C1 | H1 | 179.8° | 180.0° |
| C4 | C15 | C7 | H7 | 180.0° | 180.0° |
| C16 | C5 | C3 | H5 | 180.0° | 180.0° |
| C16 | C5 | C3 | C14 | 0.5° | 0.3° |
| C16 | C5 | C3 | H3 | 179.6° | 180.0° |
| C8 | C14 | C3 | C5 | 1.0° | 0.3° |
| C8 | C14 | C3 | N33 | 177.6° | 179.9° |
| C8 | C14 | N33 | C18 | 45.1° | 147.5° |
| C8 | C14 | C3 | H3 | 179.0° | 180.0° |
| C8 | C14 | N33 | H30 | 134.9° | 32.6° |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C2 | C1 | C4 | H4 | 179.8° | 179.7° |
| C4 | C1 | C2 | H2 | 179.4° | 179.9° |
| C5 | C3 | C14 | H3 | 180.0° | 179.7° |
| C5 | C3 | C14 | N33 | 178.5° | 179.6° |
| C3 | C14 | N33 | C18 | 137.3° | 32.6° |
| C14 | C3 | C5 | H5 | 179.6° | 179.7° |
| C3 | C14 | C8 | H8 | 179.2° | 180.0° |
| C3 | C14 | N33 | H30 | 42.7° | 147.3° |
| C14 | N33 | C18 | H30 | 180.0° | 179.9° |
| C14 | N33 | C18 | N31 | 5.5° | 6.1° |
| C14 | N33 | C18 | C12 | 176.0° | 174.0° |
| N33 | C14 | C3 | H3 | 1.5° | 0.1° |
| N33 | C14 | C8 | H8 | 1.5° | 0.1° |
| N33 | C18 | N31 | C12 | 178.6° | 180.0° |
| N33 | C18 | N31 | C10 | 178.7° | 179.7° |
| N33 | C18 | C12 | N32 | 1.9° | 0.0° |
| N33 | C18 | C12 | C11 | 179.8° | 179.9° |
| C18 | N31 | C10 | N30 | 0.9° | 0.5° |
| N31 | C18 | C12 | N32 | 179.5° | 179.9° |
| N31 | C18 | C12 | C11 | 1.2° | 0.0° |
| C18 | N31 | C10 | H10 | 179.1° | 179.9° |
| N31 | C18 | N33 | H30 | 174.5° | 174.0° |
| C10 | N31 | C18 | C12 | 0.0° | 0.3° |
| N31 | C10 | N30 | H10 | 180.0° | 179.7° |
| N31 | C10 | N30 | C11 | 0.5° | 0.3° |
| C18 | C12 | N32 | C11 | 178.5° | 179.9° |
| C18 | C12 | N32 | C26 | 0.7° | 0.0° |
| C18 | C12 | C11 | N30 | 1.7° | 0.1° |
| C18 | C12 | N32 | C9 | 178.9° | 180.0° |
| C18 | C12 | C11 | C6 | 179.4° | 179.9° |
| C12 | C18 | N33 | H30 | 4.0° | 5.9° |
| C10 | N30 | C11 | C12 | 0.8° | 0.0° |
| C10 | N30 | C11 | C6 | 179.5° | 180.0° |
| C12 | N32 | C26 | C9 | 178.1° | 180.0° |
| C12 | N32 | C26 | C27 | 96.0° | 77.5° |
| N32 | C12 | C11 | N30 | 179.6° | 179.8° |
| N32 | C12 | C11 | C6 | 0.7° | 0.2° |
| C12 | N32 | C9 | C6 | 0.1° | 0.1° |
| C12 | N32 | C9 | H9 | 179.9° | 179.9° |
| C12 | N32 | C26 | H22 | 24.6° | 42.5° |
| C12 | N32 | C26 | H23 | 143.4° | 162.5° |
| C11 | C12 | N32 | C26 | 177.7° | 180.0° |
| C12 | C11 | N30 | C6 | 178.7° | 180.0° |
| C11 | C12 | N32 | C9 | 0.5° | 0.0° |
| C12 | C11 | C6 | C9 | 0.6° | 0.3° |
| C12 | C11 | C6 | H6 | 179.4° | 180.0° |
| O37 | C28 | C29 | H26 | 119.5° | 120.1° |
| O37 | C28 | C29 | H27 | 119.5° | 120.0° |
| O37 | C28 | C29 | O39 | 68.1° | 65.0° |
| O37 | C28 | H26 | H27 | 121.4° | 120.0° |
| O37 | C28 | C29 | H28 | 172.4° | 175.0° |
| O37 | C28 | C29 | H29 | 51.4° | 55.1° |
| N32 | C26 | C27 | H22 | 120.6° | 120.0° |
| N32 | C26 | C27 | H23 | 120.6° | 120.0° |
| C26 | N32 | C9 | C6 | 178.3° | 179.9° |
| N32 | C26 | C27 | O39 | 82.9° | 180.0° |
| C26 | N32 | C9 | H9 | 1.7° | 0.1° |
| N32 | C26 | H22 | H23 | 118.2° | 120.0° |
| N32 | C26 | C27 | H24 | 158.1° | 60.0° |
| N32 | C26 | C27 | H25 | 36.1° | 60.0° |
| C27 | C26 | N32 | C9 | 85.9° | 102.5° |
| C26 | C27 | O39 | H24 | 119.0° | 120.0° |
| C26 | C27 | O39 | H25 | 119.0° | 120.0° |
| C26 | C27 | O39 | C29 | 167.7° | 180.0° |
| C27 | C26 | H22 | H23 | 118.1° | 120.0° |
| C26 | C27 | H24 | H25 | 122.9° | 120.0° |
| N30 | C11 | C6 | C9 | 179.5° | 179.7° |
| N30 | C11 | C6 | H6 | 0.6° | 0.0° |
| C11 | N30 | C10 | H10 | 179.5° | 180.0° |
| N32 | C9 | C6 | C11 | 0.3° | 0.2° |
| N32 | C9 | C6 | H9 | 180.0° | 180.0° |
| N32 | C9 | C6 | H6 | 179.7° | 180.0° |
| C9 | N32 | C26 | H22 | 153.5° | 137.6° |
| C9 | N32 | C26 | H23 | 34.7° | 17.6° |
| C11 | C6 | C9 | H6 | 180.0° | 179.8° |
| C11 | C6 | C9 | H9 | 179.7° | 179.8° |
| C28 | C29 | O39 | C27 | 131.2° | 180.0° |
| C28 | C29 | O39 | H28 | 119.5° | 120.0° |
| C28 | C29 | O39 | H29 | 119.5° | 120.0° |
| C29 | C28 | H26 | H27 | 121.4° | 120.0° |
| C28 | C29 | H28 | H29 | 121.4° | 120.0° |
| C29 | C28 | O37 | H33 | 180.0° | 180.0° |
| O39 | C27 | C26 | H22 | 37.7° | 60.0° |
| O39 | C27 | C26 | H23 | 156.5° | 60.0° |
| O39 | C27 | H24 | H25 | 122.8° | 120.0° |
| C27 | O39 | C29 | H28 | 109.3° | 60.0° |
| C27 | O39 | C29 | H29 | 11.6° | 60.0° |
| C29 | O39 | C27 | H24 | 48.7° | 60.0° |
| C29 | O39 | C27 | H25 | 73.3° | 60.0° |
| O39 | C29 | C28 | H26 | 51.4° | 175.0° |
| O39 | C29 | C28 | H27 | 172.3° | 55.0° |
| O39 | C29 | H28 | H29 | 121.4° | 120.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.0° |
| H1 | C1 | C4 | H4 | 0.2° | 0.2° |
| H3 | C3 | C5 | H5 | 0.4° | 0.0° |
| H6 | C6 | C9 | H9 | 0.3° | 0.0° |
| H11 | C20 | C21 | H13 | 56.3° | 60.0° |
| H11 | C20 | C21 | H14 | 176.4° | 60.0° |
| H11 | C20 | C22 | H15 | 176.5° | 60.0° |
| H11 | C20 | C22 | H16 | 57.0° | 60.1° |
| H12 | C20 | C21 | H13 | 63.4° | 60.0° |
| H12 | C20 | C21 | H14 | 56.8° | 180.0° |
| H12 | C20 | C22 | H15 | 56.9° | 180.0° |
| H12 | C20 | C22 | H16 | 62.7° | 59.9° |
| H13 | C21 | C23 | H17 | 60.2° | 60.0° |
| H13 | C21 | C23 | H18 | 59.6° | 60.0° |
| H14 | C21 | C23 | H17 | 179.7° | 180.0° |
| H14 | C21 | C23 | H18 | 60.6° | 59.9° |
| H15 | C22 | C24 | H19 | 58.2° | 59.9° |
| H15 | C22 | C24 | H20 | 178.4° | NaN° |
| H16 | C22 | C24 | H19 | 61.4° | 60.1° |
| H16 | C22 | C24 | H20 | 58.9° | 60.0° |
| H17 | C23 | C25 | H21 | 173.9° | 180.0° |
| H18 | C23 | C25 | H21 | 66.4° | 60.0° |
| H19 | C24 | C25 | H21 | 64.2° | 59.9° |
| H20 | C24 | C25 | H21 | 175.5° | NaN° |
| H21 | C25 | N35 | H32 | 149.3° | 144.9° |
| H22 | C26 | C27 | H24 | 81.3° | 60.0° |
| H22 | C26 | C27 | H25 | 156.8° | 180.0° |
| H23 | C26 | C27 | H24 | 37.5° | 180.0° |
| H23 | C26 | C27 | H25 | 84.5° | 60.0° |
| H26 | C28 | C29 | H28 | 68.1° | 55.0° |
| H26 | C28 | C29 | H29 | 170.9° | 65.0° |
| H26 | C28 | O37 | H33 | 60.5° | 59.9° |
| H27 | C28 | C29 | H28 | 52.8° | 65.0° |
| H27 | C28 | C29 | H29 | 68.2° | 175.1° |
| H27 | C28 | O37 | H33 | 60.5° | 60.0° |
