IA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C40 | doub | 1.21Å | 1.26Å | |
| C37 | C30 | sing | 1.51Å | 1.52Å | |
| C40 | O6 | sing | 1.34Å | 1.26Å | |
| C40 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C34 | doub | 1.38Å | 1.51Å | Aromatic |
| C30 | C23 | sing | 1.39Å | 1.57Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.49Å | Aromatic |
| C31 | N10 | sing | 1.47Å | 1.49Å | |
| C23 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C25 | doub | 1.41Å | 1.40Å | Aromatic |
| N10 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C39 | sing | 1.51Å | 1.53Å | |
| C33 | C32 | doub | 1.36Å | 1.50Å | Aromatic |
| C25 | C32 | sing | 1.40Å | 1.56Å | Aromatic |
| C25 | C29 | sing | 1.42Å | 1.36Å | Aromatic |
| O4 | C28 | doub | 1.22Å | 1.18Å | |
| C24 | C28 | sing | 1.47Å | 1.56Å | |
| C24 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | N9 | sing | 1.35Å | 1.47Å | |
| N9 | C21 | sing | 1.39Å | 1.48Å | |
| S2 | C21 | sing | 1.76Å | 1.55Å | Aromatic |
| S2 | C19 | sing | 1.76Å | 1.52Å | Aromatic |
| C21 | N8 | doub | 1.30Å | 1.42Å | Aromatic |
| C41 | O3 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C19 | C20 | doub | 1.34Å | 1.46Å | Aromatic |
| N8 | C20 | sing | 1.33Å | 1.56Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| O3 | C26 | sing | 1.36Å | 1.41Å | |
| C20 | C22 | sing | 1.48Å | 1.56Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C11 | sing | 1.53Å | 1.55Å | |
| C26 | C22 | doub | 1.40Å | 1.53Å | Aromatic |
| C26 | C36 | sing | 1.39Å | 1.54Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.53Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C36 | C38 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C35 | doub | 1.38Å | 1.51Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C38 | C35 | sing | 1.39Å | 1.52Å | Aromatic |
| C38 | CL1 | sing | 1.74Å | 1.79Å | |
| C35 | O5 | sing | 1.36Å | 1.42Å | |
| C42 | O5 | sing | 1.43Å | 1.42Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.08Å | 1.08Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| N9 | H091 | sing | 0.97Å | 1.00Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C40 | O6 | 120.0° | 120.0° |
| O7 | C40 | C31 | 119.8° | 120.0° |
| C37 | C30 | C34 | 120.0° | 120.1° |
| C37 | C30 | C23 | 120.1° | 120.2° |
| C30 | C37 | H23 | 109.5° | 109.4° |
| C30 | C37 | H24 | 109.4° | 109.4° |
| C30 | C37 | H25 | 109.5° | 109.5° |
| O6 | C40 | C31 | 120.2° | 120.0° |
| C40 | O6 | H35 | 109.5° | 117.0° |
| C40 | C31 | N10 | 111.0° | 109.5° |
| C40 | C31 | H18 | 109.1° | 109.5° |
| C40 | C31 | H19 | 109.1° | 109.5° |
| C34 | C30 | C23 | 119.9° | 119.8° |
| C30 | C34 | C33 | 120.0° | 120.7° |
| C30 | C34 | H21 | 120.0° | 119.7° |
| C30 | C23 | N10 | 132.4° | 133.1° |
| C30 | C23 | C25 | 119.6° | 119.5° |
| C34 | C33 | C39 | 120.9° | 119.7° |
| C34 | C33 | C32 | 119.6° | 120.6° |
| C33 | C34 | H21 | 120.0° | 119.6° |
| C31 | N10 | C23 | 126.3° | 125.6° |
| C31 | N10 | C24 | 126.4° | 125.6° |
| N10 | C31 | H18 | 109.1° | 109.4° |
| N10 | C31 | H19 | 109.1° | 109.5° |
| N10 | C23 | C25 | 108.0° | 107.4° |
| C23 | N10 | C24 | 107.4° | 108.8° |
| C23 | C25 | C32 | 121.2° | 119.6° |
| C23 | C25 | C29 | 108.2° | 107.0° |
| N10 | C24 | C28 | 128.5° | 125.4° |
| N10 | C24 | C29 | 108.7° | 109.1° |
| C39 | C33 | C32 | 119.6° | 119.7° |
| C33 | C39 | H26 | 109.5° | 109.5° |
| C33 | C39 | H27 | 109.5° | 109.5° |
| C33 | C39 | H28 | 109.4° | 109.5° |
| C33 | C32 | C25 | 119.8° | 119.9° |
| C33 | C32 | H20 | 120.1° | 120.1° |
| C32 | C25 | C29 | 130.6° | 133.4° |
| C25 | C32 | H20 | 120.1° | 120.0° |
| C25 | C29 | C24 | 107.7° | 107.7° |
| C25 | C29 | H17 | 126.1° | 126.1° |
| O4 | C28 | C24 | 122.7° | 119.9° |
| O4 | C28 | N9 | 122.7° | 120.0° |
| C28 | C24 | C29 | 122.8° | 125.5° |
| C24 | C28 | N9 | 114.6° | 120.0° |
| C24 | C29 | H17 | 126.1° | 126.2° |
| C28 | N9 | C21 | 124.0° | 120.0° |
| C28 | N9 | H091 | 118.0° | 120.0° |
| N9 | C21 | S2 | 129.2° | 125.3° |
| N9 | C21 | N8 | 122.4° | 125.3° |
| C21 | N9 | H091 | 118.0° | 120.0° |
| C21 | S2 | C19 | 106.9° | 90.0° |
| S2 | C21 | N8 | 108.3° | 109.4° |
| S2 | C19 | C18 | 125.5° | 125.8° |
| S2 | C19 | C20 | 107.7° | 108.2° |
| C21 | N8 | C20 | 108.7° | 117.0° |
| C41 | O3 | C26 | 113.9° | 117.0° |
| O3 | C41 | H29 | 109.5° | 109.5° |
| O3 | C41 | H30 | 109.5° | 109.5° |
| O3 | C41 | H31 | 109.5° | 109.5° |
| C18 | C19 | C20 | 126.8° | 125.9° |
| C19 | C18 | C17 | 109.1° | 109.5° |
| C19 | C18 | H14 | 109.6° | 109.4° |
| C19 | C18 | H15 | 109.6° | 109.5° |
| C19 | C20 | N8 | 108.3° | 115.4° |
| C19 | C20 | C22 | 130.2° | 122.3° |
| N8 | C20 | C22 | 121.6° | 122.3° |
| C18 | C17 | C11 | 110.0° | 109.5° |
| C18 | C17 | H5 | 109.3° | 109.4° |
| C18 | C17 | H6 | 109.3° | 109.5° |
| C17 | C18 | H14 | 109.6° | 109.4° |
| C17 | C18 | H15 | 109.6° | 109.5° |
| O3 | C26 | C22 | 120.4° | 120.1° |
| O3 | C26 | C36 | 120.4° | 120.0° |
| C20 | C22 | C26 | 122.7° | 120.1° |
| C20 | C22 | C27 | 117.2° | 120.1° |
| C14 | C12 | C11 | 111.1° | 109.5° |
| C12 | C14 | C16 | 112.0° | 109.5° |
| C14 | C12 | H8 | 109.0° | 109.5° |
| C14 | C12 | H9 | 109.0° | 109.5° |
| C12 | C14 | H10 | 108.9° | 109.4° |
| C12 | C14 | H11 | 108.9° | 109.5° |
| C12 | C11 | C17 | 109.1° | 109.4° |
| C12 | C11 | C13 | 111.6° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.5° |
| C11 | C12 | H8 | 109.1° | 109.5° |
| C11 | C12 | H9 | 109.0° | 109.5° |
| C17 | C11 | C13 | 108.8° | 109.5° |
| C11 | C17 | H5 | 109.4° | 109.4° |
| C11 | C17 | H6 | 109.4° | 109.5° |
| C17 | C11 | H7 | 108.9° | 109.5° |
| C22 | C26 | C36 | 119.2° | 119.9° |
| C26 | C22 | C27 | 120.1° | 119.8° |
| C26 | C36 | C38 | 119.9° | 120.1° |
| C26 | C36 | H22 | 120.1° | 120.0° |
| C22 | C27 | C35 | 120.4° | 119.9° |
| C22 | C27 | H16 | 119.8° | 120.0° |
| C14 | C16 | C15 | 112.8° | 109.5° |
| C16 | C14 | H10 | 108.8° | 109.5° |
| C16 | C14 | H11 | 108.8° | 109.5° |
| C14 | C16 | H12 | 108.6° | 109.5° |
| C14 | C16 | H13 | 108.6° | 109.5° |
| C11 | C13 | C15 | 110.7° | 109.5° |
| C11 | C13 | H1 | 109.2° | 109.5° |
| C11 | C13 | H2 | 109.2° | 109.5° |
| C13 | C11 | H7 | 109.2° | 109.5° |
| C36 | C38 | C35 | 120.4° | 120.3° |
| C36 | C38 | CL1 | 120.7° | 119.9° |
| C38 | C36 | H22 | 120.0° | 120.0° |
| C27 | C35 | C38 | 120.2° | 120.1° |
| C27 | C35 | O5 | 119.1° | 119.9° |
| C35 | C27 | H16 | 119.8° | 120.1° |
| C16 | C15 | C13 | 111.8° | 109.5° |
| C16 | C15 | H3 | 108.9° | 109.5° |
| C16 | C15 | H4 | 108.9° | 109.4° |
| C15 | C16 | H12 | 108.7° | 109.4° |
| C15 | C16 | H13 | 108.7° | 109.5° |
| C15 | C13 | H1 | 109.2° | 109.5° |
| C15 | C13 | H2 | 109.2° | 109.4° |
| C13 | C15 | H3 | 108.9° | 109.5° |
| C13 | C15 | H4 | 108.9° | 109.5° |
| C35 | C38 | CL1 | 119.0° | 119.9° |
| C38 | C35 | O5 | 120.7° | 119.9° |
| C35 | O5 | C42 | 112.4° | 117.0° |
| O5 | C42 | H32 | 109.5° | 109.5° |
| O5 | C42 | H33 | 109.5° | 109.5° |
| O5 | C42 | H34 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H23 | C37 | H24 | 109.5° | 109.5° |
| H23 | C37 | H25 | 109.5° | 109.5° |
| H24 | C37 | H25 | 109.5° | 109.4° |
| H26 | C39 | H27 | 109.5° | 109.4° |
| H26 | C39 | H28 | 109.5° | 109.4° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H29 | C41 | H30 | 109.4° | 109.4° |
| H29 | C41 | H31 | 109.4° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.5° |
| H32 | C42 | H33 | 109.5° | 109.4° |
| H32 | C42 | H34 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C40 | O6 | C31 | 179.9° | 180.0° |
| O7 | C40 | C31 | N10 | 175.7° | 0.0° |
| O7 | C40 | C31 | H18 | 64.1° | 120.0° |
| O7 | C40 | C31 | H19 | 55.5° | 120.0° |
| O7 | C40 | O6 | H35 | 0.0° | 0.0° |
| C37 | C30 | C34 | C23 | 180.0° | 180.0° |
| C37 | C30 | C34 | C33 | 180.0° | 180.0° |
| C37 | C30 | C23 | N10 | 0.0° | 0.1° |
| C37 | C30 | C23 | C25 | 180.0° | 180.0° |
| C37 | C30 | C34 | H21 | 0.0° | 0.1° |
| C30 | C37 | H23 | H24 | 120.0° | 120.0° |
| C30 | C37 | H23 | H25 | 120.0° | 120.0° |
| C30 | C37 | H24 | H25 | 120.0° | 120.0° |
| O6 | C40 | C31 | N10 | 4.4° | 180.0° |
| O6 | C40 | C31 | H18 | 115.8° | 60.0° |
| O6 | C40 | C31 | H19 | 124.6° | 60.0° |
| C40 | C31 | N10 | H18 | 120.2° | 120.0° |
| C40 | C31 | N10 | H19 | 120.2° | 120.0° |
| C40 | C31 | N10 | C23 | 114.0° | 96.3° |
| C40 | C31 | N10 | C24 | 65.8° | 83.6° |
| C40 | C31 | H18 | H19 | 119.3° | 120.0° |
| C31 | C40 | O6 | H35 | 179.9° | 180.0° |
| C30 | C34 | C33 | H21 | 180.0° | 180.0° |
| C34 | C30 | C23 | N10 | 179.9° | 179.9° |
| C34 | C30 | C23 | C25 | 0.0° | 0.0° |
| C30 | C34 | C33 | C39 | 179.9° | 180.0° |
| C30 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C30 | C37 | H23 | 90.0° | 96.2° |
| C34 | C30 | C37 | H24 | 150.0° | 143.8° |
| C34 | C30 | C37 | H25 | 30.1° | 23.9° |
| C23 | C30 | C34 | C33 | 0.1° | 0.0° |
| C30 | C23 | N10 | C31 | 0.1° | 0.1° |
| C30 | C23 | N10 | C25 | 180.0° | 179.9° |
| C30 | C23 | N10 | C24 | 179.8° | 179.9° |
| C30 | C23 | C25 | C32 | 0.0° | 0.0° |
| C30 | C23 | C25 | C29 | 180.0° | 179.9° |
| C23 | C30 | C34 | H21 | 179.9° | 179.9° |
| C23 | C30 | C37 | H23 | 90.0° | 83.8° |
| C23 | C30 | C37 | H24 | 30.0° | 36.2° |
| C23 | C30 | C37 | H25 | 150.0° | 156.1° |
| C34 | C33 | C39 | C32 | 180.0° | 180.0° |
| C34 | C33 | C32 | C25 | 0.1° | 0.0° |
| C34 | C33 | C32 | H20 | 179.9° | 179.9° |
| C34 | C33 | C39 | H26 | 90.0° | 90.0° |
| C34 | C33 | C39 | H27 | 150.0° | 30.0° |
| C34 | C33 | C39 | H28 | 30.0° | 150.0° |
| C31 | N10 | C23 | C24 | 179.9° | 179.8° |
| C31 | N10 | C23 | C25 | 179.9° | 180.0° |
| C31 | N10 | C24 | C28 | 0.6° | 0.2° |
| C31 | N10 | C24 | C29 | 179.8° | 179.9° |
| N10 | C31 | H18 | H19 | 119.3° | 120.0° |
| N10 | C23 | C25 | C32 | 180.0° | 179.9° |
| N10 | C23 | C25 | C29 | 0.0° | 0.0° |
| C23 | N10 | C24 | C28 | 179.5° | 180.0° |
| C23 | N10 | C24 | C29 | 0.4° | 0.2° |
| C23 | N10 | C31 | H18 | 125.8° | 143.8° |
| C23 | N10 | C31 | H19 | 6.2° | 23.8° |
| C25 | C23 | N10 | C24 | 0.2° | 0.1° |
| C23 | C25 | C32 | C33 | 0.0° | 0.0° |
| C23 | C25 | C32 | C29 | 180.0° | 179.9° |
| C23 | C25 | C29 | C24 | 0.2° | 0.1° |
| C23 | C25 | C29 | H17 | 179.8° | 179.9° |
| C23 | C25 | C32 | H20 | 180.0° | 179.9° |
| N10 | C24 | C29 | C25 | 0.4° | 0.2° |
| N10 | C24 | C28 | O4 | 15.1° | 172.5° |
| N10 | C24 | C28 | C29 | 179.0° | 179.7° |
| N10 | C24 | C28 | N9 | 165.1° | 7.6° |
| N10 | C24 | C29 | H17 | 179.6° | 179.8° |
| C24 | N10 | C31 | H18 | 54.4° | 36.4° |
| C24 | N10 | C31 | H19 | 173.9° | 156.4° |
| C39 | C33 | C32 | C25 | 179.9° | 179.9° |
| C39 | C33 | C32 | H20 | 0.1° | 0.0° |
| C39 | C33 | C34 | H21 | 0.1° | 0.0° |
| C33 | C39 | H26 | H27 | 120.0° | 120.0° |
| C33 | C39 | H26 | H28 | 120.0° | 120.0° |
| C33 | C39 | H27 | H28 | 120.0° | 120.0° |
| C33 | C32 | C25 | H20 | 180.0° | 179.9° |
| C33 | C32 | C25 | C29 | 180.0° | 179.9° |
| C32 | C33 | C34 | H21 | 179.9° | 180.0° |
| C32 | C33 | C39 | H26 | 90.0° | 90.0° |
| C32 | C33 | C39 | H27 | 30.0° | 150.0° |
| C32 | C33 | C39 | H28 | 150.0° | 30.0° |
| C32 | C25 | C29 | C24 | 179.8° | 180.0° |
| C32 | C25 | C29 | H17 | 0.2° | 0.0° |
| C25 | C29 | C24 | C28 | 179.6° | 180.0° |
| C25 | C29 | C24 | H17 | 180.0° | 180.0° |
| C29 | C25 | C32 | H20 | 0.0° | 0.2° |
| O4 | C28 | C24 | N9 | 179.8° | 179.9° |
| O4 | C28 | C24 | C29 | 165.9° | 7.2° |
| O4 | C28 | N9 | C21 | 0.3° | 4.1° |
| O4 | C28 | N9 | H091 | 179.7° | 175.8° |
| C24 | C28 | N9 | C21 | 179.8° | 175.8° |
| C28 | C24 | C29 | H17 | 0.5° | 0.0° |
| C24 | C28 | N9 | H091 | 0.2° | 4.2° |
| C29 | C24 | C28 | N9 | 13.9° | 172.7° |
| C28 | N9 | C21 | H091 | 180.0° | 179.9° |
| C28 | N9 | C21 | S2 | 30.5° | 179.9° |
| C28 | N9 | C21 | N8 | 150.9° | 0.0° |
| N9 | C21 | S2 | N8 | 178.7° | 179.9° |
| N9 | C21 | S2 | C19 | 179.1° | 179.9° |
| N9 | C21 | N8 | C20 | 179.3° | 180.0° |
| C21 | S2 | C19 | C18 | 179.8° | 179.8° |
| C21 | S2 | C19 | C20 | 0.0° | 0.2° |
| S2 | C21 | N8 | C20 | 0.5° | 0.2° |
| S2 | C21 | N9 | H091 | 149.5° | 0.2° |
| C19 | S2 | C21 | N8 | 0.3° | 0.0° |
| S2 | C19 | C18 | C20 | 179.7° | 180.0° |
| S2 | C19 | C20 | N8 | 0.3° | 0.3° |
| S2 | C19 | C18 | C17 | 143.3° | 85.0° |
| S2 | C19 | C20 | C22 | 179.8° | 180.0° |
| S2 | C19 | C18 | H14 | 96.7° | 155.1° |
| S2 | C19 | C18 | H15 | 23.4° | 35.1° |
| C21 | N8 | C20 | C19 | 0.5° | 0.3° |
| C21 | N8 | C20 | C22 | 179.9° | 180.0° |
| N8 | C21 | N9 | H091 | 29.0° | 180.0° |
| C41 | O3 | C26 | C22 | 77.7° | 180.0° |
| C41 | O3 | C26 | C36 | 102.9° | 0.0° |
| O3 | C41 | H29 | H30 | 120.0° | 120.0° |
| O3 | C41 | H29 | H31 | 120.0° | 120.0° |
| O3 | C41 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | C20 | N8 | 180.0° | 179.7° |
| C19 | C18 | C17 | H14 | 120.0° | 119.9° |
| C19 | C18 | C17 | H15 | 119.9° | 120.1° |
| C18 | C19 | C20 | C22 | 0.4° | 0.0° |
| C19 | C18 | C17 | C11 | 113.4° | 175.6° |
| C19 | C18 | C17 | H5 | 6.7° | 64.5° |
| C19 | C18 | C17 | H6 | 126.5° | 55.5° |
| C19 | C18 | H14 | H15 | 120.2° | 120.1° |
| C19 | C20 | N8 | C22 | 179.6° | 179.7° |
| C20 | C19 | C18 | C17 | 37.0° | 95.0° |
| C19 | C20 | C22 | C26 | 53.6° | 128.8° |
| C19 | C20 | C22 | C27 | 127.8° | 51.0° |
| C20 | C19 | C18 | H14 | 83.0° | 24.9° |
| C20 | C19 | C18 | H15 | 156.9° | 144.9° |
| N8 | C20 | C22 | C26 | 126.9° | 50.9° |
| N8 | C20 | C22 | C27 | 51.7° | 129.3° |
| C18 | C17 | C11 | C12 | 25.7° | 65.7° |
| C18 | C17 | C11 | H5 | 120.1° | 119.9° |
| C18 | C17 | C11 | H6 | 120.1° | 120.1° |
| C18 | C17 | C11 | C13 | 147.6° | 174.4° |
| C18 | C17 | H5 | H6 | 119.8° | 120.0° |
| C18 | C17 | C11 | H7 | 93.4° | 54.3° |
| C17 | C18 | H14 | H15 | 120.2° | 120.0° |
| O3 | C26 | C22 | C20 | 1.2° | 0.0° |
| O3 | C26 | C22 | C36 | 179.4° | 180.0° |
| O3 | C26 | C22 | C27 | 179.8° | 179.8° |
| O3 | C26 | C36 | C38 | 179.9° | 180.0° |
| O3 | C26 | C36 | H22 | 0.1° | 0.1° |
| C26 | O3 | C41 | H29 | 180.0° | 60.0° |
| C26 | O3 | C41 | H30 | 60.0° | 60.0° |
| C26 | O3 | C41 | H31 | 60.0° | 180.0° |
| C20 | C22 | C26 | C27 | 178.6° | 179.8° |
| C20 | C22 | C26 | C36 | 179.4° | 180.0° |
| C20 | C22 | C27 | C35 | 179.5° | 180.0° |
| C20 | C22 | C27 | H16 | 0.5° | 0.1° |
| C14 | C12 | C11 | H8 | 120.2° | 120.0° |
| C14 | C12 | C11 | H9 | 120.2° | 120.0° |
| C14 | C12 | C11 | C17 | 176.7° | 180.0° |
| C12 | C14 | C16 | H10 | 120.4° | 119.9° |
| C12 | C14 | C16 | H11 | 120.4° | 120.0° |
| C14 | C12 | C11 | C13 | 56.5° | 60.0° |
| C12 | C14 | C16 | C15 | 51.4° | 60.0° |
| C14 | C12 | C11 | H7 | 64.4° | 60.0° |
| C14 | C12 | H8 | H9 | 119.2° | 120.0° |
| C12 | C14 | H10 | H11 | 118.9° | 120.0° |
| C12 | C14 | C16 | H12 | 172.0° | 60.0° |
| C12 | C14 | C16 | H13 | 69.1° | 180.0° |
| C12 | C11 | C17 | C13 | 121.9° | 120.0° |
| C12 | C11 | C17 | H7 | 119.1° | 120.0° |
| C11 | C12 | C14 | C16 | 53.2° | 60.0° |
| C12 | C11 | C13 | H7 | 120.8° | 120.0° |
| C12 | C11 | C13 | C15 | 57.1° | 60.0° |
| C12 | C11 | C13 | H1 | 63.1° | 180.0° |
| C12 | C11 | C13 | H2 | 177.2° | 59.9° |
| C12 | C11 | C17 | H5 | 94.4° | 174.4° |
| C12 | C11 | C17 | H6 | 145.8° | 54.4° |
| C11 | C12 | H8 | H9 | 119.2° | 120.0° |
| C11 | C12 | C14 | H10 | 67.2° | 60.0° |
| C11 | C12 | C14 | H11 | 173.6° | 180.0° |
| C17 | C11 | C13 | H7 | 118.8° | 120.1° |
| C17 | C11 | C13 | C15 | 177.5° | 179.9° |
| C17 | C11 | C13 | H1 | 57.3° | 60.0° |
| C17 | C11 | C13 | H2 | 62.3° | 60.0° |
| C11 | C17 | H5 | H6 | 119.8° | 120.0° |
| C17 | C11 | C12 | H8 | 56.5° | 60.0° |
| C17 | C11 | C12 | H9 | 63.0° | 59.9° |
| C11 | C17 | C18 | H14 | 126.7° | 55.7° |
| C11 | C17 | C18 | H15 | 6.6° | 64.3° |
| C22 | C26 | C36 | C38 | 0.5° | 0.1° |
| C26 | C22 | C27 | C35 | 0.8° | 0.2° |
| C26 | C22 | C27 | H16 | 179.2° | 179.7° |
| C22 | C26 | C36 | H22 | 179.5° | 179.9° |
| C36 | C26 | C22 | C27 | 0.8° | 0.2° |
| C26 | C36 | C38 | H22 | 180.0° | 179.9° |
| C26 | C36 | C38 | C35 | 0.2° | 0.3° |
| C26 | C36 | C38 | CL1 | 179.9° | 180.0° |
| C22 | C27 | C35 | H16 | 180.0° | 179.9° |
| C22 | C27 | C35 | C38 | 0.5° | 0.0° |
| C22 | C27 | C35 | O5 | 179.8° | 180.0° |
| C14 | C16 | C15 | H12 | 120.5° | 120.0° |
| C14 | C16 | C15 | H13 | 120.5° | 120.0° |
| C14 | C16 | C15 | C13 | 52.2° | 60.0° |
| C14 | C16 | C15 | H3 | 68.1° | 180.0° |
| C14 | C16 | C15 | H4 | 172.6° | 60.0° |
| C16 | C14 | C12 | H8 | 67.1° | 180.0° |
| C16 | C14 | C12 | H9 | 173.4° | 60.0° |
| C16 | C14 | H10 | H11 | 118.8° | 120.0° |
| C14 | C16 | H12 | H13 | 118.5° | 120.0° |
| C11 | C13 | C15 | C16 | 54.5° | 60.0° |
| C11 | C13 | C15 | H1 | 120.2° | 120.0° |
| C11 | C13 | C15 | H2 | 120.2° | 120.0° |
| C11 | C13 | H1 | H2 | 119.4° | 120.0° |
| C11 | C13 | C15 | H3 | 65.8° | 180.0° |
| C11 | C13 | C15 | H4 | 174.9° | 60.0° |
| C13 | C11 | C17 | H5 | 27.6° | 54.4° |
| C13 | C11 | C17 | H6 | 92.3° | 65.6° |
| C13 | C11 | C12 | H8 | 63.8° | 180.0° |
| C13 | C11 | C12 | H9 | 176.7° | 60.0° |
| C36 | C38 | C35 | C27 | 0.2° | 0.3° |
| C36 | C38 | C35 | CL1 | 179.9° | 179.8° |
| C36 | C38 | C35 | O5 | 179.9° | 179.7° |
| C27 | C35 | C38 | O5 | 179.7° | 180.0° |
| C27 | C35 | C38 | CL1 | 179.9° | 180.0° |
| C27 | C35 | O5 | C42 | 24.2° | 5.0° |
| C16 | C15 | C13 | H3 | 120.4° | 120.0° |
| C16 | C15 | C13 | H4 | 120.4° | 119.9° |
| C16 | C15 | C13 | H1 | 65.6° | 180.0° |
| C16 | C15 | C13 | H2 | 174.7° | 60.0° |
| C16 | C15 | H3 | H4 | 118.9° | 119.9° |
| C15 | C16 | C14 | H10 | 68.9° | 60.0° |
| C15 | C16 | C14 | H11 | 171.9° | 180.0° |
| C15 | C16 | H12 | H13 | 118.5° | 120.0° |
| C15 | C13 | H1 | H2 | 119.5° | 120.0° |
| C13 | C15 | H3 | H4 | 118.9° | 120.0° |
| C15 | C13 | C11 | H7 | 63.8° | 60.0° |
| C13 | C15 | C16 | H12 | 172.7° | 60.0° |
| C13 | C15 | C16 | H13 | 68.3° | 180.0° |
| C38 | C35 | O5 | C42 | 155.5° | 175.0° |
| C38 | C35 | C27 | H16 | 179.5° | 179.9° |
| C35 | C38 | C36 | H22 | 179.8° | 179.8° |
| CL1 | C38 | C35 | O5 | 0.2° | 0.0° |
| CL1 | C38 | C36 | H22 | 0.1° | 0.1° |
| O5 | C35 | C27 | H16 | 0.2° | 0.1° |
| C35 | O5 | C42 | H32 | 180.0° | 55.4° |
| C35 | O5 | C42 | H33 | 60.0° | 64.5° |
| C35 | O5 | C42 | H34 | 60.0° | 175.4° |
| O5 | C42 | H32 | H33 | 120.0° | 120.0° |
| O5 | C42 | H32 | H34 | 120.0° | 120.0° |
| O5 | C42 | H33 | H34 | 120.0° | 120.1° |
| H1 | C13 | C15 | H3 | 174.0° | 60.0° |
| H1 | C13 | C15 | H4 | 54.7° | 60.1° |
| H1 | C13 | C11 | H7 | 176.1° | 60.0° |
| H2 | C13 | C15 | H3 | 54.4° | 60.0° |
| H2 | C13 | C15 | H4 | 64.9° | 179.9° |
| H2 | C13 | C11 | H7 | 56.4° | 179.9° |
| H3 | C15 | C16 | H12 | 52.3° | 60.0° |
| H3 | C15 | C16 | H13 | 171.3° | 59.9° |
| H4 | C15 | C16 | H12 | 66.9° | 180.0° |
| H4 | C15 | C16 | H13 | 52.1° | 60.0° |
| H5 | C17 | C11 | H7 | 146.6° | 65.6° |
| H5 | C17 | C18 | H14 | 113.2° | 175.6° |
| H5 | C17 | C18 | H15 | 126.7° | 55.6° |
| H6 | C17 | C11 | H7 | 26.7° | 174.4° |
| H6 | C17 | C18 | H14 | 6.6° | 64.4° |
| H6 | C17 | C18 | H15 | 113.5° | 175.6° |
| H7 | C11 | C12 | H8 | 175.4° | 60.0° |
| H7 | C11 | C12 | H9 | 55.9° | 180.0° |
| H8 | C12 | C14 | H10 | 172.6° | 60.0° |
| H8 | C12 | C14 | H11 | 53.3° | 60.0° |
| H9 | C12 | C14 | H10 | 53.1° | 180.0° |
| H9 | C12 | C14 | H11 | 66.2° | 60.0° |
| H10 | C14 | C16 | H12 | 51.6° | 179.9° |
| H10 | C14 | C16 | H13 | 170.6° | 60.1° |
| H11 | C14 | C16 | H12 | 67.6° | 60.0° |
| H11 | C14 | C16 | H13 | 51.3° | 60.0° |
| H23 | C37 | H24 | H25 | 120.0° | 120.1° |
| H26 | C39 | H27 | H28 | 120.0° | 119.9° |
| H29 | C41 | H30 | H31 | 119.9° | 120.0° |
| H32 | C42 | H33 | H34 | 120.0° | 120.0° |
