D2U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.37Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.41Å | 1.38Å | Aromatic |
| C37 | C33 | sing | 1.46Å | 1.41Å | Aromatic |
| O42 | C31 | doub | 1.21Å | 1.26Å | |
| C36 | N35 | sing | 1.38Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | doub | 1.34Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.53Å | |
| C31 | O43 | sing | 1.34Å | 1.26Å | |
| N35 | C34 | sing | 1.37Å | 1.32Å | Aromatic |
| C30 | N29 | sing | 1.47Å | 1.46Å | |
| N29 | C27 | sing | 1.35Å | 1.46Å | |
| O28 | C27 | doub | 1.21Å | 1.19Å | |
| C27 | C11 | sing | 1.51Å | 1.53Å | |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| O26 | C9 | doub | 1.22Å | 1.19Å | |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.35Å | 1.46Å | |
| C9 | C3 | sing | 1.48Å | 1.54Å | |
| N10 | C25 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.54Å | |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N29 | H25 | sing | 0.97Å | 1.00Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| N35 | H30 | sing | 0.97Å | 1.00Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| C41 | H34 | sing | 1.08Å | 1.08Å | |
| O43 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C40 | C41 | 120.4° | 120.6° |
| C40 | C39 | C38 | 119.9° | 120.6° |
| C40 | C39 | H32 | 120.0° | 119.7° |
| C39 | C40 | H33 | 119.8° | 119.7° |
| C40 | C41 | C37 | 119.4° | 119.7° |
| C41 | C40 | H33 | 119.8° | 119.7° |
| C40 | C41 | H34 | 120.3° | 120.1° |
| C39 | C38 | C36 | 120.0° | 119.8° |
| C39 | C38 | H31 | 120.0° | 120.1° |
| C38 | C39 | H32 | 120.0° | 119.7° |
| C41 | C37 | C36 | 120.6° | 119.9° |
| C41 | C37 | C33 | 132.9° | 134.0° |
| C37 | C41 | H34 | 120.3° | 120.1° |
| C38 | C36 | C37 | 119.7° | 119.3° |
| C38 | C36 | N35 | 131.8° | 133.6° |
| C36 | C38 | H31 | 120.0° | 120.1° |
| C36 | C37 | C33 | 106.5° | 106.1° |
| C37 | C36 | N35 | 108.5° | 107.1° |
| C37 | C33 | C32 | 126.1° | 126.5° |
| C37 | C33 | C34 | 106.0° | 107.0° |
| O42 | C31 | C30 | 119.0° | 120.0° |
| O42 | C31 | O43 | 120.4° | 120.0° |
| C36 | N35 | C34 | 110.1° | 109.9° |
| C36 | N35 | H30 | 125.0° | 125.0° |
| C33 | C32 | C30 | 112.0° | 109.5° |
| C32 | C33 | C34 | 128.0° | 126.5° |
| C33 | C32 | H27 | 108.9° | 109.5° |
| C33 | C32 | H28 | 108.8° | 109.5° |
| C32 | C30 | C31 | 112.5° | 109.5° |
| C32 | C30 | N29 | 111.3° | 109.5° |
| C32 | C30 | H26 | 108.4° | 109.5° |
| C30 | C32 | H27 | 108.8° | 109.5° |
| C30 | C32 | H28 | 108.8° | 109.4° |
| C33 | C34 | N35 | 108.9° | 110.0° |
| C33 | C34 | H29 | 125.6° | 125.0° |
| C30 | C31 | O43 | 120.6° | 120.0° |
| C31 | C30 | N29 | 106.8° | 109.4° |
| C31 | C30 | H26 | 108.4° | 109.4° |
| C31 | O43 | H35 | 109.5° | 117.0° |
| N35 | C34 | H29 | 125.6° | 125.0° |
| C34 | N35 | H30 | 124.9° | 125.1° |
| C30 | N29 | C27 | 121.7° | 120.0° |
| C30 | N29 | H25 | 119.1° | 119.9° |
| N29 | C30 | H26 | 109.4° | 109.5° |
| N29 | C27 | O28 | 122.0° | 120.1° |
| N29 | C27 | C11 | 116.8° | 119.9° |
| C27 | N29 | H25 | 119.2° | 120.1° |
| O28 | C27 | C11 | 121.1° | 120.0° |
| C27 | C11 | N10 | 108.7° | 109.5° |
| C27 | C11 | C12 | 114.1° | 109.5° |
| C27 | C11 | H10 | 105.3° | 109.4° |
| C7 | C1 | C2 | 119.6° | 119.9° |
| C7 | C1 | C6 | 120.5° | 119.9° |
| C1 | C7 | H4 | 109.5° | 109.4° |
| C1 | C7 | H5 | 109.4° | 109.5° |
| C1 | C7 | H6 | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.6° | 119.9° |
| C2 | C1 | C6 | 119.9° | 120.1° |
| C1 | C2 | H1 | 119.7° | 120.1° |
| C2 | C3 | C9 | 120.4° | 120.1° |
| C2 | C3 | C4 | 119.4° | 119.7° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| O26 | C9 | N10 | 118.3° | 120.0° |
| O26 | C9 | C3 | 118.0° | 120.0° |
| C1 | C6 | C5 | 119.7° | 120.3° |
| C1 | C6 | H3 | 120.2° | 119.8° |
| N10 | C11 | C12 | 116.5° | 109.5° |
| C11 | N10 | C9 | 119.2° | 120.1° |
| C11 | N10 | C25 | 118.1° | 120.0° |
| N10 | C11 | H10 | 106.1° | 109.4° |
| C11 | C12 | C13 | 112.7° | 109.5° |
| C12 | C11 | H10 | 105.3° | 109.5° |
| C11 | C12 | H11 | 108.6° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| N10 | C9 | C3 | 123.7° | 120.0° |
| C9 | N10 | C25 | 122.7° | 120.0° |
| C9 | C3 | C4 | 120.2° | 120.2° |
| N10 | C25 | H22 | 109.5° | 109.4° |
| N10 | C25 | H23 | 109.5° | 109.5° |
| N10 | C25 | H24 | 109.5° | 109.4° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H2 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.2° |
| C6 | C5 | C8 | 119.6° | 119.9° |
| C5 | C6 | H3 | 120.2° | 119.9° |
| C12 | C13 | C14 | 120.5° | 119.9° |
| C12 | C13 | C18 | 119.0° | 119.9° |
| C13 | C12 | H11 | 108.7° | 109.4° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C4 | C5 | C8 | 119.9° | 119.9° |
| C5 | C4 | H2 | 120.0° | 120.2° |
| C5 | C8 | H7 | 109.5° | 109.5° |
| C5 | C8 | H8 | 109.5° | 109.4° |
| C5 | C8 | H9 | 109.5° | 109.4° |
| C14 | C13 | C18 | 120.5° | 120.2° |
| C13 | C14 | C15 | 119.4° | 120.2° |
| C13 | C14 | H13 | 120.3° | 119.9° |
| C13 | C18 | C17 | 120.0° | 120.1° |
| C13 | C18 | H16 | 120.0° | 119.9° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C15 | C14 | H13 | 120.3° | 119.9° |
| C14 | C15 | H14 | 119.9° | 120.1° |
| C18 | C17 | C16 | 119.8° | 119.9° |
| C18 | C17 | H15 | 120.1° | 120.1° |
| C17 | C18 | H16 | 120.0° | 119.9° |
| C15 | C16 | C17 | 120.1° | 119.7° |
| C15 | C16 | C19 | 120.5° | 120.1° |
| C16 | C15 | H14 | 119.9° | 120.1° |
| C17 | C16 | C19 | 119.4° | 120.1° |
| C16 | C17 | H15 | 120.1° | 120.1° |
| C16 | C19 | C24 | 120.7° | 120.1° |
| C16 | C19 | C20 | 119.4° | 120.1° |
| C24 | C19 | C20 | 119.9° | 119.8° |
| C19 | C24 | C23 | 119.8° | 119.9° |
| C19 | C24 | H21 | 120.1° | 120.1° |
| C19 | C20 | C21 | 120.2° | 119.9° |
| C19 | C20 | H17 | 119.9° | 120.1° |
| C24 | C23 | C22 | 120.1° | 120.1° |
| C24 | C23 | H20 | 119.9° | 120.0° |
| C23 | C24 | H21 | 120.1° | 120.1° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C21 | C20 | H17 | 119.9° | 120.1° |
| C20 | C21 | H18 | 120.0° | 119.9° |
| C23 | C22 | C21 | 120.1° | 120.2° |
| C23 | C22 | H19 | 119.9° | 119.9° |
| C22 | C23 | H20 | 120.0° | 119.9° |
| C22 | C21 | H18 | 120.0° | 120.0° |
| C21 | C22 | H19 | 119.9° | 119.9° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C40 | C41 | H33 | 180.0° | 179.6° |
| C40 | C39 | C38 | H32 | 180.0° | 179.9° |
| C39 | C40 | C41 | C37 | 0.5° | 0.5° |
| C40 | C39 | C38 | C36 | 0.4° | 0.0° |
| C40 | C39 | C38 | H31 | 179.6° | 179.9° |
| C39 | C40 | C41 | H34 | 179.5° | 179.9° |
| C41 | C40 | C39 | C38 | 0.5° | 0.4° |
| C40 | C41 | C37 | H34 | 180.0° | 179.6° |
| C40 | C41 | C37 | C36 | 0.3° | 0.1° |
| C40 | C41 | C37 | C33 | 179.6° | 179.4° |
| C41 | C40 | C39 | H32 | 179.5° | 179.7° |
| C39 | C38 | C36 | H31 | 180.0° | 180.0° |
| C39 | C38 | C36 | C37 | 0.2° | 0.3° |
| C39 | C38 | C36 | N35 | 180.0° | 179.9° |
| C38 | C39 | C40 | H33 | 179.5° | 180.0° |
| C41 | C37 | C36 | C38 | 0.2° | 0.2° |
| C41 | C37 | C36 | C33 | 180.0° | 179.6° |
| C41 | C37 | C36 | N35 | 180.0° | 180.0° |
| C41 | C37 | C33 | C32 | 0.4° | 0.3° |
| C41 | C37 | C33 | C34 | 179.8° | 179.9° |
| C37 | C41 | C40 | H33 | 179.5° | 179.9° |
| C38 | C36 | C37 | N35 | 179.8° | 179.7° |
| C38 | C36 | C37 | C33 | 179.8° | 179.9° |
| C38 | C36 | N35 | C34 | 179.9° | 180.0° |
| C38 | C36 | N35 | H30 | 0.1° | 0.1° |
| C36 | C38 | C39 | H32 | 179.6° | 179.9° |
| C36 | C37 | C33 | C32 | 179.6° | 179.8° |
| C36 | C37 | C33 | C34 | 0.2° | 0.4° |
| C37 | C36 | N35 | C34 | 0.1° | 0.3° |
| C37 | C36 | N35 | H30 | 179.9° | 179.8° |
| C37 | C36 | C38 | H31 | 179.8° | 179.7° |
| C36 | C37 | C41 | H34 | 179.7° | 179.7° |
| C33 | C37 | C36 | N35 | 0.0° | 0.4° |
| C37 | C33 | C32 | C34 | 179.3° | 179.7° |
| C37 | C33 | C32 | C30 | 173.0° | 84.8° |
| C37 | C33 | C34 | N35 | 0.2° | 0.2° |
| C37 | C33 | C32 | H27 | 66.7° | 35.3° |
| C37 | C33 | C32 | H28 | 52.6° | 155.3° |
| C37 | C33 | C34 | H29 | 179.8° | 179.8° |
| C33 | C37 | C41 | H34 | 0.3° | 0.2° |
| O42 | C31 | C30 | C32 | 94.5° | 119.9° |
| O42 | C31 | C30 | O43 | 179.3° | 179.9° |
| O42 | C31 | C30 | N29 | 143.0° | 0.0° |
| O42 | C31 | C30 | H26 | 25.3° | 120.0° |
| O42 | C31 | O43 | H35 | 0.0° | 0.0° |
| C36 | N35 | C34 | C33 | 0.2° | 0.0° |
| C36 | N35 | C34 | H30 | 180.0° | 179.9° |
| C36 | N35 | C34 | H29 | 179.8° | 180.0° |
| N35 | C36 | C38 | H31 | 0.0° | 0.1° |
| C33 | C32 | C30 | H27 | 120.4° | 120.0° |
| C33 | C32 | C30 | H28 | 120.4° | 120.0° |
| C33 | C32 | C30 | C31 | 166.7° | 175.0° |
| C32 | C33 | C34 | N35 | 179.6° | 180.0° |
| C33 | C32 | C30 | N29 | 73.5° | 65.0° |
| C33 | C32 | C30 | H26 | 46.9° | 55.0° |
| C33 | C32 | H27 | H28 | 118.9° | 120.0° |
| C32 | C33 | C34 | H29 | 0.4° | 0.0° |
| C30 | C32 | C33 | C34 | 6.3° | 95.0° |
| C32 | C30 | C31 | N29 | 122.4° | 120.0° |
| C32 | C30 | C31 | H26 | 119.8° | 120.1° |
| C32 | C30 | C31 | O43 | 86.1° | 60.0° |
| C32 | C30 | N29 | H26 | 119.7° | 120.0° |
| C32 | C30 | N29 | C27 | 124.4° | 155.0° |
| C32 | C30 | N29 | H25 | 55.6° | 25.0° |
| C30 | C32 | H27 | H28 | 118.9° | 120.0° |
| C33 | C34 | N35 | H29 | 180.0° | 180.0° |
| C34 | C33 | C32 | H27 | 114.1° | 145.0° |
| C34 | C33 | C32 | H28 | 126.6° | 25.0° |
| C33 | C34 | N35 | H30 | 179.8° | 179.9° |
| C31 | C30 | N29 | H26 | 117.1° | 119.9° |
| C31 | C30 | N29 | C27 | 112.4° | 85.0° |
| C31 | C30 | N29 | H25 | 67.6° | 95.0° |
| C31 | C30 | C32 | H27 | 46.3° | 65.0° |
| C31 | C30 | C32 | H28 | 72.9° | 55.0° |
| C30 | C31 | O43 | H35 | 179.3° | 180.0° |
| O43 | C31 | C30 | N29 | 36.3° | 180.0° |
| O43 | C31 | C30 | H26 | 154.0° | 60.1° |
| C30 | N29 | C27 | H25 | 180.0° | 180.0° |
| C30 | N29 | C27 | O28 | 0.7° | 0.0° |
| C30 | N29 | C27 | C11 | 178.6° | 180.0° |
| N29 | C30 | C32 | H27 | 166.2° | 55.0° |
| N29 | C30 | C32 | H28 | 46.9° | 175.0° |
| N29 | C27 | O28 | C11 | 179.3° | 180.0° |
| N29 | C27 | C11 | N10 | 54.2° | 160.0° |
| N29 | C27 | C11 | C12 | 174.0° | 80.0° |
| N29 | C27 | C11 | H10 | 59.1° | 40.1° |
| C27 | N29 | C30 | H26 | 4.7° | 35.0° |
| O28 | C27 | C11 | N10 | 125.1° | 20.0° |
| O28 | C27 | C11 | C12 | 6.7° | 100.0° |
| O28 | C27 | C11 | H10 | 121.6° | 139.9° |
| O28 | C27 | N29 | H25 | 179.3° | 180.0° |
| C27 | C11 | N10 | C12 | 130.5° | 120.1° |
| C27 | C11 | N10 | H10 | 112.8° | 119.9° |
| C27 | C11 | C12 | H10 | 114.9° | 120.0° |
| C27 | C11 | N10 | C9 | 96.0° | 114.9° |
| C27 | C11 | N10 | C25 | 81.9° | 65.1° |
| C27 | C11 | C12 | C13 | 177.5° | 175.0° |
| C27 | C11 | C12 | H11 | 62.0° | 55.0° |
| C27 | C11 | C12 | H12 | 57.0° | 65.0° |
| C11 | C27 | N29 | H25 | 1.4° | 0.0° |
| C7 | C1 | C2 | C6 | 179.9° | 179.8° |
| C7 | C1 | C2 | C3 | 179.3° | 179.7° |
| C7 | C1 | C6 | C5 | 179.9° | 179.8° |
| C7 | C1 | C2 | H1 | 0.7° | 0.2° |
| C7 | C1 | C6 | H3 | 0.1° | 0.3° |
| C1 | C7 | H4 | H5 | 120.0° | 119.9° |
| C1 | C7 | H4 | H6 | 120.0° | 120.0° |
| C1 | C7 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C9 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 1.3° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C2 | C1 | C7 | H4 | 89.9° | 89.8° |
| C2 | C1 | C7 | H5 | 150.0° | 30.2° |
| C2 | C1 | C7 | H6 | 30.1° | 150.2° |
| C2 | C3 | C9 | O26 | 121.5° | 16.7° |
| C3 | C2 | C1 | C6 | 0.7° | 0.0° |
| C2 | C3 | C9 | N10 | 58.2° | 163.3° |
| C2 | C3 | C9 | C4 | 178.1° | 179.9° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C2 | C3 | C4 | H2 | 178.7° | 180.0° |
| O26 | C9 | N10 | C11 | 1.5° | 8.3° |
| O26 | C9 | N10 | C3 | 179.8° | 180.0° |
| O26 | C9 | N10 | C25 | 179.3° | 171.7° |
| O26 | C9 | C3 | C4 | 56.5° | 163.2° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | C8 | 179.8° | 180.0° |
| C6 | C1 | C2 | H1 | 179.3° | 180.0° |
| C6 | C1 | C7 | H4 | 90.0° | 90.0° |
| C6 | C1 | C7 | H5 | 30.0° | 150.0° |
| C6 | C1 | C7 | H6 | 150.0° | 30.0° |
| N10 | C11 | C12 | H10 | 117.2° | 120.0° |
| C11 | N10 | C9 | C25 | 177.8° | 180.0° |
| C11 | N10 | C9 | C3 | 178.3° | 171.7° |
| N10 | C11 | C12 | C13 | 49.6° | 65.0° |
| N10 | C11 | C12 | H11 | 170.1° | 175.1° |
| N10 | C11 | C12 | H12 | 70.9° | 55.0° |
| C11 | N10 | C25 | H22 | 180.0° | 112.4° |
| C11 | N10 | C25 | H23 | 60.0° | 7.5° |
| C11 | N10 | C25 | H24 | 60.0° | 127.6° |
| C12 | C11 | N10 | C9 | 133.5° | 125.0° |
| C12 | C11 | N10 | C25 | 48.6° | 55.0° |
| C11 | C12 | C13 | H11 | 120.5° | 120.0° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 42.7° | 90.0° |
| C11 | C12 | C13 | C18 | 136.6° | 90.3° |
| C11 | C12 | H11 | H12 | 118.5° | 120.0° |
| N10 | C9 | C3 | C4 | 123.7° | 16.8° |
| C9 | N10 | C11 | H10 | 16.8° | 5.0° |
| C9 | N10 | C25 | H22 | 2.2° | 67.6° |
| C9 | N10 | C25 | H23 | 122.2° | 172.4° |
| C9 | N10 | C25 | H24 | 117.8° | 52.4° |
| C3 | C9 | N10 | C25 | 0.5° | 8.3° |
| C9 | C3 | C4 | C5 | 179.4° | 180.0° |
| C9 | C3 | C2 | H1 | 0.6° | 0.1° |
| C9 | C3 | C4 | H2 | 0.6° | 0.0° |
| C25 | N10 | C11 | H10 | 165.3° | 175.0° |
| N10 | C25 | H22 | H23 | 120.0° | 120.0° |
| N10 | C25 | H22 | H24 | 120.0° | 120.0° |
| N10 | C25 | H23 | H24 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 179.6° | 180.0° |
| C4 | C3 | C2 | H1 | 178.7° | 180.0° |
| C6 | C5 | C4 | C8 | 179.7° | 180.0° |
| C6 | C5 | C4 | H2 | 179.3° | 180.0° |
| C6 | C5 | C8 | H7 | 89.9° | 90.0° |
| C6 | C5 | C8 | H8 | 150.1° | 30.0° |
| C6 | C5 | C8 | H9 | 30.1° | 150.0° |
| C12 | C13 | C14 | C18 | 179.3° | 179.7° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C18 | C17 | 179.8° | 179.8° |
| C13 | C12 | C11 | H10 | 67.6° | 55.0° |
| C13 | C12 | H11 | H12 | 118.5° | 120.0° |
| C12 | C13 | C14 | H13 | 0.2° | 0.1° |
| C12 | C13 | C18 | H16 | 0.2° | 0.1° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C4 | C5 | C8 | H7 | 89.9° | 90.0° |
| C4 | C5 | C8 | H8 | 30.1° | 150.0° |
| C4 | C5 | C8 | H9 | 150.1° | 30.1° |
| C8 | C5 | C4 | H2 | 0.4° | 0.0° |
| C8 | C5 | C6 | H3 | 0.1° | 0.0° |
| C5 | C8 | H7 | H8 | 120.0° | 120.0° |
| C5 | C8 | H7 | H9 | 120.0° | 120.0° |
| C5 | C8 | H8 | H9 | 120.0° | 119.9° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.5° | 0.5° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | H11 | 77.8° | 30.0° |
| C14 | C13 | C12 | H12 | 163.1° | 150.0° |
| C13 | C14 | C15 | H14 | 179.8° | 180.0° |
| C14 | C13 | C18 | H16 | 179.5° | 179.8° |
| C18 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C18 | C17 | H16 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.2° | 0.5° |
| C18 | C13 | C12 | H11 | 102.9° | 149.7° |
| C18 | C13 | C12 | H12 | 16.1° | 29.7° |
| C18 | C13 | C14 | H13 | 179.5° | 179.8° |
| C13 | C18 | C17 | H15 | 179.8° | 179.7° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | C19 | 179.5° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C18 | C17 | C16 | H15 | 180.0° | 179.8° |
| C18 | C17 | C16 | C19 | 179.5° | 179.8° |
| C15 | C16 | C17 | C19 | 179.4° | 180.0° |
| C15 | C16 | C19 | C24 | 32.4° | 180.0° |
| C15 | C16 | C19 | C20 | 147.2° | 0.3° |
| C16 | C15 | C14 | H13 | 179.8° | 180.0° |
| C15 | C16 | C17 | H15 | 179.9° | 180.0° |
| C17 | C16 | C19 | C24 | 148.1° | 0.0° |
| C17 | C16 | C19 | C20 | 32.2° | 179.7° |
| C17 | C16 | C15 | H14 | 179.9° | 180.0° |
| C16 | C17 | C18 | H16 | 179.8° | 179.8° |
| C16 | C19 | C24 | C20 | 179.7° | 179.7° |
| C16 | C19 | C24 | C23 | 179.8° | 179.7° |
| C16 | C19 | C20 | C21 | 179.8° | 180.0° |
| C19 | C16 | C15 | H14 | 0.5° | 0.0° |
| C19 | C16 | C17 | H15 | 0.5° | 0.0° |
| C16 | C19 | C20 | H17 | 0.2° | 0.1° |
| C16 | C19 | C24 | H21 | 0.3° | 0.0° |
| C19 | C24 | C23 | H21 | 180.0° | 179.7° |
| C24 | C19 | C20 | C21 | 0.1° | 0.3° |
| C19 | C24 | C23 | C22 | 0.1° | 0.6° |
| C24 | C19 | C20 | H17 | 179.9° | 179.8° |
| C19 | C24 | C23 | H20 | 179.9° | 179.7° |
| C20 | C19 | C24 | C23 | 0.1° | 0.6° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H18 | 179.9° | 180.0° |
| C20 | C19 | C24 | H21 | 180.0° | 179.7° |
| C24 | C23 | C22 | H20 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.1° | 0.4° |
| C24 | C23 | C22 | H19 | 179.9° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H19 | 179.9° | 180.0° |
| C23 | C22 | C21 | H19 | 180.0° | 179.9° |
| C23 | C22 | C21 | H18 | 179.9° | 180.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.7° |
| C22 | C21 | C20 | H17 | 179.9° | 180.0° |
| C21 | C22 | C23 | H20 | 179.9° | 180.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.1° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 52.9° | 65.0° |
| H10 | C11 | C12 | H12 | 171.9° | 175.0° |
| H13 | C14 | C15 | H14 | 0.2° | 0.0° |
| H15 | C17 | C18 | H16 | 0.2° | 0.0° |
| H17 | C20 | C21 | H18 | 0.1° | 0.1° |
| H18 | C21 | C22 | H19 | 0.1° | 0.1° |
| H19 | C22 | C23 | H20 | 0.1° | 0.1° |
| H20 | C23 | C24 | H21 | 0.0° | 0.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | N29 | C30 | H26 | 175.3° | 145.0° |
| H26 | C30 | C32 | H27 | 73.5° | 175.0° |
| H26 | C30 | C32 | H28 | 167.2° | 65.0° |
| H29 | C34 | N35 | H30 | 0.2° | 0.0° |
| H31 | C38 | C39 | H32 | 0.4° | 0.1° |
| H32 | C39 | C40 | H33 | 0.5° | 0.1° |
| H33 | C40 | C41 | H34 | 0.5° | 0.3° |
