IRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C5 | sing | 1.51Å | 1.57Å | |
| C5 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.48Å | 1.44Å | |
| C3 | C2 | doub | 1.40Å | 1.34Å | Aromatic |
| O26 | C9 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.38Å | 1.31Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.45Å | |
| C9 | N10 | sing | 1.35Å | 1.48Å | |
| C25 | N10 | sing | 1.46Å | 1.40Å | |
| N10 | C11 | sing | 1.46Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.42Å | |
| C12 | C13 | sing | 1.51Å | 1.47Å | |
| C18 | C17 | doub | 1.38Å | 1.27Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C27 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.37Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C37 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.51Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.65Å | |
| C32 | C30 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | N29 | sing | 1.46Å | 1.44Å | |
| O42 | C31 | doub | 1.21Å | 1.18Å | |
| C37 | C33 | sing | 1.46Å | 1.33Å | Aromatic |
| C37 | C36 | doub | 1.41Å | 1.36Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | O43 | sing | 1.34Å | 1.17Å | |
| C27 | N29 | sing | 1.35Å | 1.51Å | |
| C27 | O28 | doub | 1.21Å | 1.30Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.34Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C38 | sing | 1.39Å | 1.43Å | Aromatic |
| C36 | N35 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | N35 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | 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) |
| C8 | C5 | C4 | 121.0° | 119.9° |
| C8 | C5 | C6 | 120.1° | 120.0° |
| C5 | C8 | H7 | 109.5° | 109.5° |
| C5 | C8 | H8 | 109.4° | 109.5° |
| C5 | C8 | H9 | 109.4° | 109.5° |
| C4 | C5 | C6 | 118.9° | 120.1° |
| C5 | C4 | C3 | 118.2° | 119.9° |
| C5 | C4 | H2 | 120.9° | 120.1° |
| C5 | C6 | C1 | 117.6° | 120.3° |
| C5 | C6 | H3 | 121.2° | 119.8° |
| C4 | C3 | C9 | 123.0° | 120.1° |
| C4 | C3 | C2 | 120.6° | 119.7° |
| C3 | C4 | H2 | 120.9° | 120.0° |
| C6 | C1 | C2 | 122.3° | 120.1° |
| C6 | C1 | C7 | 122.5° | 120.0° |
| C1 | C6 | H3 | 121.2° | 119.8° |
| C9 | C3 | C2 | 116.4° | 120.1° |
| C3 | C9 | O26 | 118.6° | 120.0° |
| C3 | C9 | N10 | 117.0° | 120.0° |
| C3 | C2 | C1 | 122.5° | 119.9° |
| C3 | C2 | H1 | 118.8° | 120.1° |
| O26 | C9 | N10 | 122.8° | 120.0° |
| C2 | C1 | C7 | 115.2° | 119.9° |
| C1 | C2 | H1 | 118.8° | 120.1° |
| C1 | C7 | H4 | 109.5° | 109.5° |
| C1 | C7 | H5 | 109.4° | 109.5° |
| C1 | C7 | H6 | 109.5° | 109.5° |
| C9 | N10 | C25 | 125.5° | 120.0° |
| C9 | N10 | C11 | 107.9° | 120.0° |
| C25 | N10 | C11 | 125.9° | 120.0° |
| N10 | C25 | H22 | 109.5° | 109.5° |
| N10 | C25 | H23 | 109.4° | 109.5° |
| N10 | C25 | H24 | 109.5° | 109.5° |
| N10 | C11 | C12 | 90.0° | 109.5° |
| N10 | C11 | C27 | 120.3° | 109.5° |
| N10 | C11 | H10 | 112.1° | 109.5° |
| C11 | C12 | C13 | 138.8° | 109.5° |
| C12 | C11 | C27 | 109.9° | 109.4° |
| C12 | C11 | H10 | 112.2° | 109.5° |
| C11 | C12 | H11 | 101.7° | 109.4° |
| C11 | C12 | H12 | 101.7° | 109.5° |
| C12 | C13 | C18 | 120.9° | 119.9° |
| C12 | C13 | C14 | 116.6° | 119.9° |
| C13 | C12 | H11 | 101.7° | 109.5° |
| C13 | C12 | H12 | 101.7° | 109.5° |
| C17 | C18 | C13 | 123.2° | 120.1° |
| C18 | C17 | C16 | 124.2° | 119.8° |
| C18 | C17 | H15 | 117.9° | 120.1° |
| C17 | C18 | H16 | 118.4° | 120.0° |
| C18 | C13 | C14 | 121.6° | 120.3° |
| C13 | C18 | H16 | 118.4° | 119.9° |
| C11 | C27 | N29 | 120.4° | 120.0° |
| C11 | C27 | O28 | 124.2° | 120.0° |
| C27 | C11 | H10 | 110.7° | 109.4° |
| C17 | C16 | C15 | 115.6° | 119.8° |
| C17 | C16 | C19 | 115.5° | 120.1° |
| C16 | C17 | H15 | 117.9° | 120.1° |
| C13 | C14 | C15 | 115.7° | 120.1° |
| C13 | C14 | H13 | 122.2° | 120.0° |
| C41 | C40 | C39 | 118.6° | 120.6° |
| C40 | C41 | C37 | 123.3° | 119.7° |
| C41 | C40 | H33 | 120.7° | 119.7° |
| C40 | C41 | H34 | 118.3° | 120.1° |
| C40 | C39 | C38 | 118.7° | 120.7° |
| C40 | C39 | H32 | 120.7° | 119.7° |
| C39 | C40 | H33 | 120.7° | 119.7° |
| C41 | C37 | C33 | 133.4° | 134.0° |
| C41 | C37 | C36 | 118.3° | 119.9° |
| C37 | C41 | H34 | 118.4° | 120.1° |
| C14 | C15 | C16 | 119.2° | 119.9° |
| C15 | C14 | H13 | 122.2° | 119.9° |
| C14 | C15 | H14 | 120.4° | 120.0° |
| C15 | C16 | C19 | 128.9° | 120.1° |
| C16 | C15 | H14 | 120.4° | 120.1° |
| C16 | C19 | C24 | 121.7° | 120.2° |
| C16 | C19 | C20 | 122.8° | 120.1° |
| C30 | C32 | C33 | 121.9° | 109.4° |
| C32 | C30 | C31 | 108.2° | 109.4° |
| C32 | C30 | N29 | 125.4° | 109.5° |
| C32 | C30 | H26 | 105.7° | 109.5° |
| C30 | C32 | H27 | 106.3° | 109.5° |
| C30 | C32 | H28 | 106.3° | 109.5° |
| C32 | C33 | C37 | 126.7° | 126.5° |
| C32 | C33 | C34 | 123.9° | 126.5° |
| C33 | C32 | H27 | 106.3° | 109.4° |
| C33 | C32 | H28 | 106.2° | 109.4° |
| C31 | C30 | N29 | 103.3° | 109.5° |
| C30 | C31 | O42 | 124.4° | 120.0° |
| C30 | C31 | O43 | 118.8° | 120.0° |
| C31 | C30 | H26 | 105.9° | 109.4° |
| C30 | N29 | C27 | 117.7° | 120.0° |
| C30 | N29 | H25 | 121.1° | 120.0° |
| N29 | C30 | H26 | 107.0° | 109.5° |
| O42 | C31 | O43 | 116.6° | 120.0° |
| C33 | C37 | C36 | 108.3° | 106.1° |
| C37 | C33 | C34 | 109.4° | 107.0° |
| C37 | C36 | C38 | 120.9° | 119.4° |
| C37 | C36 | N35 | 108.9° | 107.1° |
| C19 | C24 | C23 | 121.3° | 119.9° |
| C24 | C19 | C20 | 115.4° | 119.7° |
| C19 | C24 | H21 | 119.4° | 120.0° |
| C24 | C23 | C22 | 120.4° | 120.1° |
| C24 | C23 | H20 | 119.8° | 120.0° |
| C23 | C24 | H21 | 119.4° | 120.1° |
| C39 | C38 | C36 | 120.3° | 119.7° |
| C39 | C38 | H31 | 119.9° | 120.2° |
| C38 | C39 | H32 | 120.6° | 119.6° |
| C31 | O43 | H35 | 109.5° | 117.0° |
| N29 | C27 | O28 | 110.3° | 120.0° |
| C27 | N29 | H25 | 121.1° | 120.0° |
| C19 | C20 | C21 | 124.3° | 119.9° |
| C19 | C20 | H17 | 117.8° | 120.1° |
| C33 | C34 | N35 | 109.7° | 109.9° |
| C33 | C34 | H29 | 125.2° | 125.0° |
| C23 | C22 | C21 | 119.5° | 120.2° |
| C23 | C22 | H19 | 120.3° | 119.9° |
| C22 | C23 | H20 | 119.8° | 119.9° |
| C38 | C36 | N35 | 130.2° | 133.5° |
| C36 | C38 | H31 | 119.9° | 120.1° |
| C36 | N35 | C34 | 103.8° | 109.9° |
| C36 | N35 | H30 | 128.1° | 125.0° |
| C20 | C21 | C22 | 119.0° | 120.1° |
| C21 | C20 | H17 | 117.9° | 120.0° |
| C20 | C21 | H18 | 120.5° | 119.9° |
| N35 | C34 | H29 | 125.1° | 125.0° |
| C34 | N35 | H30 | 128.1° | 125.1° |
| C22 | C21 | H18 | 120.5° | 119.9° |
| C21 | C22 | H19 | 120.3° | 119.9° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H6 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| 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) |
| C8 | C5 | C4 | C6 | 178.9° | 179.7° |
| C8 | C5 | C4 | C3 | 179.8° | 180.0° |
| C8 | C5 | C6 | C1 | 179.2° | 179.7° |
| C8 | C5 | C4 | H2 | 0.2° | 0.0° |
| C8 | C5 | C6 | H3 | 0.8° | 0.3° |
| C5 | C8 | H7 | H8 | 120.0° | 120.1° |
| C5 | C8 | H7 | H9 | 120.0° | 120.0° |
| C5 | C8 | H8 | H9 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.6° |
| C5 | C4 | C3 | C9 | 179.3° | 180.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.0° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| C4 | C5 | C8 | H7 | 89.5° | 90.0° |
| C4 | C5 | C8 | H8 | 150.5° | 150.0° |
| C4 | C5 | C8 | H9 | 30.6° | 30.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.3° |
| C5 | C6 | C1 | H3 | 180.0° | 179.4° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C5 | C6 | C1 | C7 | 180.0° | 179.7° |
| C6 | C5 | C4 | H2 | 178.8° | 179.7° |
| C6 | C5 | C8 | H7 | 89.4° | 89.8° |
| C6 | C5 | C8 | H8 | 30.6° | 30.3° |
| C6 | C5 | C8 | H9 | 150.5° | 150.3° |
| C4 | C3 | C9 | C2 | 177.6° | 180.0° |
| C4 | C3 | C9 | O26 | 7.6° | 163.6° |
| C4 | C3 | C2 | C1 | 1.4° | 0.0° |
| C4 | C3 | C9 | N10 | 173.8° | 16.5° |
| C4 | C3 | C2 | H1 | 178.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | C7 | 179.8° | 179.7° |
| C6 | C1 | C2 | H1 | 179.6° | 179.7° |
| C6 | C1 | C7 | H4 | 90.1° | 90.3° |
| C6 | C1 | C7 | H5 | 149.9° | 29.7° |
| C6 | C1 | C7 | H6 | 29.9° | 149.7° |
| C3 | C9 | O26 | N10 | 165.4° | 180.0° |
| C9 | C3 | C2 | C1 | 179.0° | 180.0° |
| C3 | C9 | N10 | C25 | 53.0° | 5.3° |
| C3 | C9 | N10 | C11 | 117.4° | 174.7° |
| C9 | C3 | C2 | H1 | 0.9° | 0.1° |
| C9 | C3 | C4 | H2 | 0.7° | 0.0° |
| C2 | C3 | C9 | O26 | 170.0° | 16.4° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C7 | 179.5° | 180.0° |
| C2 | C3 | C9 | N10 | 3.7° | 163.6° |
| C2 | C3 | C4 | H2 | 178.2° | 180.0° |
| O26 | C9 | N10 | C25 | 141.3° | 174.8° |
| O26 | C9 | N10 | C11 | 48.2° | 5.3° |
| C2 | C1 | C6 | H3 | 179.8° | 180.0° |
| C2 | C1 | C7 | H4 | 90.1° | 90.0° |
| C2 | C1 | C7 | H5 | 29.9° | 150.0° |
| C2 | C1 | C7 | H6 | 149.9° | 30.0° |
| C7 | C1 | C2 | H1 | 0.6° | 0.0° |
| C7 | C1 | C6 | H3 | 0.0° | 0.3° |
| C1 | C7 | H4 | H5 | 120.0° | 120.0° |
| C1 | C7 | H4 | H6 | 120.0° | 120.0° |
| C1 | C7 | H5 | H6 | 120.0° | 120.0° |
| C9 | N10 | C25 | C11 | 168.8° | 180.0° |
| C9 | N10 | C11 | C12 | 125.1° | 124.7° |
| C9 | N10 | C11 | C27 | 121.7° | 115.3° |
| C9 | N10 | C11 | H10 | 11.0° | 4.7° |
| C9 | N10 | C25 | H22 | 180.0° | 52.7° |
| C9 | N10 | C25 | H23 | 60.0° | 172.7° |
| C9 | N10 | C25 | H24 | 60.0° | 67.2° |
| C25 | N10 | C11 | C12 | 64.5° | 55.3° |
| C25 | N10 | C11 | C27 | 48.7° | 64.7° |
| C25 | N10 | C11 | H10 | 178.6° | 175.4° |
| N10 | C25 | H22 | H23 | 120.0° | 120.0° |
| N10 | C25 | H22 | H24 | 120.0° | 120.0° |
| N10 | C25 | H23 | H24 | 120.0° | 120.0° |
| N10 | C11 | C12 | C27 | 122.5° | 120.0° |
| N10 | C11 | C12 | H10 | 114.0° | 120.1° |
| N10 | C11 | C12 | C13 | 149.5° | 65.0° |
| N10 | C11 | C27 | H10 | 133.3° | 120.0° |
| N10 | C11 | C27 | N29 | 59.9° | 160.0° |
| N10 | C11 | C27 | O28 | 147.9° | 20.0° |
| N10 | C11 | C12 | H11 | 87.0° | 55.0° |
| N10 | C11 | C12 | H12 | 26.0° | 175.0° |
| C11 | N10 | C25 | H22 | 11.3° | 127.3° |
| C11 | N10 | C25 | H23 | 131.2° | 7.3° |
| C11 | N10 | C25 | H24 | 108.7° | 112.8° |
| C11 | C12 | C13 | H11 | 123.5° | 119.9° |
| C11 | C12 | C13 | H12 | 123.5° | 120.0° |
| C11 | C12 | C13 | C18 | 134.4° | 90.3° |
| C12 | C11 | C27 | H10 | 124.5° | 120.0° |
| C11 | C12 | C13 | C14 | 56.6° | 89.9° |
| C12 | C11 | C27 | N29 | 162.1° | 80.0° |
| C12 | C11 | C27 | O28 | 45.7° | 100.0° |
| C11 | C12 | H11 | H12 | 107.1° | 120.0° |
| C12 | C13 | C18 | C17 | 175.5° | 179.7° |
| C12 | C13 | C18 | C14 | 168.4° | 179.8° |
| C13 | C12 | C11 | C27 | 27.1° | 175.0° |
| C12 | C13 | C14 | C15 | 172.0° | 180.0° |
| C13 | C12 | C11 | H10 | 96.5° | 55.1° |
| C13 | C12 | H11 | H12 | 107.1° | 120.1° |
| C12 | C13 | C14 | H13 | 8.0° | 0.0° |
| C12 | C13 | C18 | H16 | 4.5° | 0.3° |
| C17 | C18 | C13 | H16 | 180.0° | 179.4° |
| C18 | C17 | C16 | H15 | 180.0° | 179.7° |
| C17 | C18 | C13 | C14 | 7.1° | 0.5° |
| C18 | C17 | C16 | C15 | 3.8° | 0.3° |
| C18 | C17 | C16 | C19 | 174.5° | 179.8° |
| C13 | C18 | C17 | C16 | 3.2° | 0.5° |
| C18 | C13 | C14 | C15 | 3.1° | 0.2° |
| C18 | C13 | C12 | H11 | 10.9° | 149.8° |
| C18 | C13 | C12 | H12 | 102.1° | 29.7° |
| C18 | C13 | C14 | H13 | 176.9° | 179.7° |
| C13 | C18 | C17 | H15 | 176.8° | 179.7° |
| C11 | C27 | N29 | C30 | 3.1° | 180.0° |
| C11 | C27 | N29 | O28 | 155.7° | 180.0° |
| C27 | C11 | C12 | H11 | 150.5° | 65.0° |
| C27 | C11 | C12 | H12 | 96.4° | 55.0° |
| C11 | C27 | N29 | H25 | 176.9° | 0.0° |
| C17 | C16 | C15 | C14 | 7.2° | 0.0° |
| C17 | C16 | C15 | C19 | 178.0° | 179.9° |
| C17 | C16 | C19 | C24 | 14.8° | 179.7° |
| C17 | C16 | C19 | C20 | 169.1° | 0.0° |
| C17 | C16 | C15 | H14 | 172.8° | 180.0° |
| C16 | C17 | C18 | H16 | 176.8° | 180.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 3.8° | 0.0° |
| C14 | C13 | C12 | H11 | 179.9° | 30.0° |
| C14 | C13 | C12 | H12 | 66.8° | 150.1° |
| C13 | C14 | C15 | H14 | 176.2° | 180.0° |
| C14 | C13 | C18 | H16 | 172.9° | 179.9° |
| C41 | C40 | C39 | H33 | 180.0° | 178.9° |
| C40 | C41 | C37 | H34 | 180.0° | 179.0° |
| C40 | C41 | C37 | C33 | 179.9° | 179.1° |
| C40 | C41 | C37 | C36 | 0.3° | 0.7° |
| C41 | C40 | C39 | C38 | 0.6° | 0.7° |
| C41 | C40 | C39 | H32 | 179.5° | 179.3° |
| C39 | C40 | C41 | C37 | 0.6° | 1.1° |
| C40 | C39 | C38 | H32 | 180.0° | 179.9° |
| C40 | C39 | C38 | C36 | 0.3° | 0.0° |
| C40 | C39 | C38 | H31 | 179.7° | 179.9° |
| C39 | C40 | C41 | H34 | 179.4° | 180.0° |
| C41 | C37 | C33 | C32 | 0.2° | 0.0° |
| C41 | C37 | C33 | C36 | 179.6° | 179.8° |
| C41 | C37 | C33 | C34 | 180.0° | 179.8° |
| C41 | C37 | C36 | C38 | 0.1° | 0.0° |
| C41 | C37 | C36 | N35 | 179.9° | 179.7° |
| C37 | C41 | C40 | H33 | 179.4° | 180.0° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 170.8° | 180.0° |
| C15 | C16 | C19 | C24 | 163.2° | 0.3° |
| C15 | C16 | C19 | C20 | 12.9° | 180.0° |
| C16 | C15 | C14 | H13 | 176.2° | 180.0° |
| C15 | C16 | C17 | H15 | 176.2° | 180.0° |
| C16 | C19 | C24 | C20 | 176.3° | 179.7° |
| C16 | C19 | C24 | C23 | 179.5° | 179.7° |
| C16 | C19 | C20 | C21 | 179.2° | 180.0° |
| C19 | C16 | C15 | H14 | 9.2° | 0.0° |
| C19 | C16 | C17 | H15 | 5.5° | 0.0° |
| C16 | C19 | C20 | H17 | 0.8° | 0.0° |
| C16 | C19 | C24 | H21 | 0.5° | 0.0° |
| C30 | C32 | C33 | H27 | 121.7° | 120.0° |
| C30 | C32 | C33 | H28 | 121.7° | 120.0° |
| C32 | C30 | C31 | N29 | 134.8° | 120.1° |
| C32 | C30 | C31 | H26 | 112.9° | 120.0° |
| C32 | C30 | N29 | H26 | 124.3° | 120.0° |
| C32 | C30 | C31 | O42 | 20.7° | 120.0° |
| C30 | C32 | C33 | C37 | 171.2° | 84.7° |
| C32 | C30 | C31 | O43 | 164.7° | 60.0° |
| C32 | C30 | N29 | C27 | 156.3° | 155.0° |
| C30 | C32 | C33 | C34 | 8.5° | 95.0° |
| C32 | C30 | N29 | H25 | 23.7° | 25.0° |
| C30 | C32 | H27 | H28 | 114.4° | 120.1° |
| C33 | C32 | C30 | C31 | 146.0° | 175.0° |
| C33 | C32 | C30 | N29 | 23.9° | 65.0° |
| C32 | C33 | C37 | C34 | 179.7° | 179.7° |
| C32 | C33 | C37 | C36 | 179.8° | 179.8° |
| C32 | C33 | C34 | N35 | 179.9° | 180.0° |
| C33 | C32 | C30 | H26 | 100.9° | 55.0° |
| C33 | C32 | H27 | H28 | 114.4° | 120.0° |
| C32 | C33 | C34 | H29 | 0.0° | 0.0° |
| C31 | C30 | N29 | H26 | 111.5° | 120.0° |
| C30 | C31 | O42 | O43 | 174.7° | 180.0° |
| C31 | C30 | N29 | C27 | 79.5° | 85.0° |
| C31 | C30 | N29 | H25 | 100.5° | 95.0° |
| C31 | C30 | C32 | H27 | 92.3° | 55.0° |
| C31 | C30 | C32 | H28 | 24.3° | 65.1° |
| C30 | C31 | O43 | H35 | 175.0° | 180.0° |
| N29 | C30 | C31 | O42 | 155.5° | 0.1° |
| N29 | C30 | C31 | O43 | 29.9° | 180.0° |
| C30 | N29 | C27 | H25 | 180.0° | 180.0° |
| C30 | N29 | C27 | O28 | 158.8° | 0.0° |
| N29 | C30 | C32 | H27 | 145.6° | 175.1° |
| N29 | C30 | C32 | H28 | 97.8° | 55.0° |
| O42 | C31 | C30 | H26 | 92.2° | 120.0° |
| O42 | C31 | O43 | H35 | 0.0° | 0.0° |
| C33 | C37 | C36 | C38 | 179.7° | 179.8° |
| C33 | C37 | C36 | N35 | 0.4° | 0.5° |
| C37 | C33 | C34 | N35 | 0.3° | 0.3° |
| C37 | C33 | C32 | H27 | 49.5° | 35.3° |
| C37 | C33 | C32 | H28 | 67.1° | 155.3° |
| C37 | C33 | C34 | H29 | 179.7° | 179.8° |
| C33 | C37 | C41 | H34 | 0.2° | 0.1° |
| C37 | C36 | C38 | C39 | 0.1° | 0.3° |
| C36 | C37 | C33 | C34 | 0.5° | 0.4° |
| C37 | C36 | C38 | N35 | 179.9° | 179.7° |
| C37 | C36 | N35 | C34 | 0.2° | 0.3° |
| C37 | C36 | N35 | H30 | 179.8° | 179.8° |
| C37 | C36 | C38 | H31 | 179.9° | 179.7° |
| C36 | C37 | C41 | H34 | 179.7° | 179.7° |
| C19 | C24 | C23 | H21 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.0° | 0.6° |
| C24 | C19 | C20 | C21 | 4.6° | 0.3° |
| C24 | C19 | C20 | H17 | 175.4° | 179.7° |
| C19 | C24 | C23 | H20 | 180.0° | 179.7° |
| C23 | C24 | C19 | C20 | 3.1° | 0.6° |
| C24 | C23 | C22 | H20 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 2.0° | 0.3° |
| C24 | C23 | C22 | H19 | 178.0° | 179.7° |
| C39 | C38 | C36 | H31 | 180.0° | 180.0° |
| C39 | C38 | C36 | N35 | 179.9° | 180.0° |
| C38 | C39 | C40 | H33 | 179.5° | 179.7° |
| O43 | C31 | C30 | H26 | 82.4° | 60.0° |
| N29 | C27 | C11 | H10 | 73.4° | 40.0° |
| C27 | N29 | C30 | H26 | 32.0° | 35.0° |
| O28 | C27 | C11 | H10 | 78.7° | 140.0° |
| O28 | C27 | N29 | H25 | 21.2° | 180.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 2.7° | 0.0° |
| C19 | C20 | C21 | H18 | 177.3° | 180.0° |
| C20 | C19 | C24 | H21 | 176.8° | 179.7° |
| C33 | C34 | N35 | C36 | 0.1° | 0.0° |
| C33 | C34 | N35 | H29 | 180.0° | 180.0° |
| C34 | C33 | C32 | H27 | 130.2° | 145.1° |
| C34 | C33 | C32 | H28 | 113.2° | 25.0° |
| C33 | C34 | N35 | H30 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.7° | 0.0° |
| C23 | C22 | C21 | H19 | 180.0° | 180.0° |
| C23 | C22 | C21 | H18 | 179.3° | 180.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.7° |
| C38 | C36 | N35 | C34 | 179.9° | 180.0° |
| C38 | C36 | N35 | H30 | 0.1° | 0.1° |
| C36 | C38 | C39 | H32 | 179.7° | 180.0° |
| C36 | N35 | C34 | H30 | 180.0° | 179.9° |
| C36 | N35 | C34 | H29 | 179.9° | 180.0° |
| N35 | C36 | C38 | H31 | 0.0° | 0.1° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H19 | 179.2° | 180.0° |
| C22 | C21 | C20 | H17 | 177.3° | 180.0° |
| C21 | C22 | C23 | H20 | 178.0° | 180.0° |
| H4 | C7 | H5 | H6 | 120.0° | 120.0° |
| H7 | C8 | H8 | H9 | 120.0° | 119.9° |
| H10 | C11 | C12 | H11 | 27.0° | 175.0° |
| H10 | C11 | C12 | H12 | 140.0° | 65.0° |
| H13 | C14 | C15 | H14 | 3.8° | 0.0° |
| H15 | C17 | C18 | H16 | 3.2° | 0.3° |
| H17 | C20 | C21 | H18 | 2.7° | 0.0° |
| H18 | C21 | C22 | H19 | 0.8° | 0.0° |
| H19 | C22 | C23 | H20 | 2.0° | 0.0° |
| H20 | C23 | C24 | H21 | 0.0° | 0.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | N29 | C30 | H26 | 148.0° | 145.0° |
| H26 | C30 | C32 | H27 | 20.8° | 64.9° |
| H26 | C30 | C32 | H28 | 137.4° | 175.0° |
| H29 | C34 | N35 | H30 | 0.0° | 0.0° |
| H31 | C38 | C39 | H32 | 0.3° | 0.0° |
| H32 | C39 | C40 | H33 | 0.5° | 0.4° |
| H33 | C40 | C41 | H34 | 0.5° | 1.1° |
