1E4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S51 | C54 | sing | 1.76Å | 1.78Å | |
| S51 | C49 | sing | 1.81Å | 1.82Å | |
| O50 | C48 | doub | 1.21Å | 1.22Å | |
| C55 | C54 | doub | 1.39Å | 1.41Å | Aromatic |
| C55 | C56 | sing | 1.37Å | 1.42Å | Aromatic |
| F30 | C24 | sing | 1.35Å | 1.32Å | |
| C54 | N59 | sing | 1.33Å | 1.36Å | Aromatic |
| C48 | C49 | sing | 1.51Å | 1.54Å | |
| C48 | N47 | sing | 1.35Å | 1.36Å | |
| C56 | C57 | doub | 1.40Å | 1.42Å | Aromatic |
| N47 | C1 | sing | 1.40Å | 1.40Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| CL4 | C5 | sing | 1.74Å | 1.73Å | |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| N59 | C58 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C57 | C58 | sing | 1.40Å | 1.41Å | Aromatic |
| C57 | C63 | sing | 1.47Å | 1.48Å | |
| O67 | C39 | doub | 1.21Å | 1.34Å | |
| C5 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| O64 | C63 | doub | 1.21Å | 1.19Å | |
| C22 | C29 | sing | 1.48Å | 1.50Å | |
| C22 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | N35 | doub | 1.33Å | 1.38Å | Aromatic |
| C63 | O66 | sing | 1.35Å | 1.35Å | |
| C2 | O42 | sing | 1.36Å | 1.42Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C33 | C39 | sing | 1.48Å | 1.49Å | |
| C33 | C34 | doub | 1.40Å | 1.41Å | Aromatic |
| C39 | O65 | sing | 1.35Å | 1.19Å | |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | O9 | sing | 1.36Å | 1.41Å | |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | O17 | sing | 1.36Å | 1.42Å | |
| C10 | O9 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| N35 | C34 | sing | 1.31Å | 1.36Å | Aromatic |
| O75 | C14 | sing | 1.43Å | 1.43Å | |
| O17 | C16 | sing | 1.43Å | 1.44Å | |
| C11 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | O71 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C40 | sing | 1.53Å | 1.57Å | |
| C15 | C40 | sing | 1.53Å | 1.56Å | |
| C15 | O77 | sing | 1.43Å | 1.41Å | |
| C40 | O74 | sing | 1.43Å | 1.41Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C43 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| N47 | H20 | sing | 0.97Å | 1.00Å | |
| C49 | H21 | sing | 1.09Å | 1.10Å | |
| C49 | H22 | sing | 1.09Å | 1.10Å | |
| C55 | H23 | sing | 1.08Å | 1.08Å | |
| C56 | H24 | sing | 1.08Å | 1.08Å | |
| C58 | H25 | sing | 1.08Å | 1.08Å | |
| O65 | H26 | sing | 0.97Å | 0.95Å | |
| O66 | H27 | sing | 0.97Å | 0.95Å | |
| O71 | H28 | sing | 0.97Å | 0.95Å | |
| O74 | H29 | sing | 0.97Å | 0.95Å | |
| O75 | H30 | sing | 0.97Å | 0.95Å | |
| O77 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | S51 | C49 | 99.6° | 100.0° |
| S51 | C54 | C55 | 119.0° | 119.6° |
| S51 | C54 | N59 | 118.7° | 119.5° |
| S51 | C49 | C48 | 113.9° | 109.5° |
| S51 | C49 | H21 | 108.3° | 109.5° |
| S51 | C49 | H22 | 108.4° | 109.5° |
| O50 | C48 | C49 | 119.5° | 120.0° |
| O50 | C48 | N47 | 123.1° | 120.0° |
| C54 | C55 | C56 | 118.2° | 119.4° |
| C55 | C54 | N59 | 122.2° | 120.9° |
| C54 | C55 | H23 | 120.9° | 120.3° |
| C55 | C56 | C57 | 120.1° | 118.5° |
| C56 | C55 | H23 | 120.9° | 120.3° |
| C55 | C56 | H24 | 120.0° | 120.8° |
| F30 | C24 | C23 | 118.2° | 119.9° |
| F30 | C24 | C25 | 119.2° | 120.0° |
| C54 | N59 | C58 | 119.2° | 121.6° |
| C49 | C48 | N47 | 114.0° | 120.0° |
| C48 | C49 | H21 | 108.4° | 109.5° |
| C48 | C49 | H22 | 108.4° | 109.5° |
| C48 | N47 | C1 | 125.3° | 120.0° |
| C48 | N47 | H20 | 117.3° | 120.0° |
| C56 | C57 | C58 | 117.1° | 119.1° |
| C56 | C57 | C63 | 121.6° | 120.4° |
| C57 | C56 | H24 | 119.9° | 120.8° |
| N47 | C1 | C6 | 121.7° | 120.0° |
| N47 | C1 | C2 | 118.9° | 120.1° |
| C1 | N47 | H20 | 117.4° | 120.0° |
| C23 | C24 | C25 | 122.6° | 120.1° |
| C24 | C23 | C22 | 121.3° | 119.9° |
| C24 | C23 | H11 | 119.4° | 120.0° |
| C24 | C25 | C20 | 118.6° | 120.2° |
| C24 | C25 | H12 | 120.7° | 119.9° |
| C1 | C6 | C5 | 120.4° | 120.1° |
| C6 | C1 | C2 | 119.4° | 119.9° |
| C1 | C6 | H2 | 119.8° | 120.0° |
| C6 | C5 | CL4 | 113.5° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C5 | C6 | H2 | 119.8° | 119.9° |
| C23 | C22 | C29 | 117.6° | 120.0° |
| C23 | C22 | C21 | 117.4° | 119.8° |
| C22 | C23 | H11 | 119.3° | 120.1° |
| CL4 | C5 | C4 | 125.8° | 119.9° |
| C32 | C31 | C29 | 120.0° | 119.2° |
| C31 | C32 | C33 | 121.1° | 118.4° |
| C32 | C31 | H13 | 120.0° | 120.4° |
| C31 | C32 | H14 | 119.5° | 120.8° |
| C31 | C29 | C22 | 124.8° | 119.6° |
| C31 | C29 | N35 | 117.8° | 120.9° |
| C29 | C31 | H13 | 120.0° | 120.4° |
| C32 | C33 | C39 | 122.7° | 120.5° |
| C32 | C33 | C34 | 116.7° | 119.0° |
| C33 | C32 | H14 | 119.5° | 120.8° |
| N59 | C58 | C57 | 123.1° | 120.5° |
| N59 | C58 | H25 | 118.5° | 119.8° |
| C1 | C2 | O42 | 117.6° | 120.0° |
| C1 | C2 | C3 | 119.4° | 119.9° |
| C58 | C57 | C63 | 121.3° | 120.5° |
| C57 | C58 | H25 | 118.5° | 119.7° |
| C57 | C63 | O64 | 121.3° | 120.0° |
| C57 | C63 | O66 | 116.7° | 120.0° |
| O67 | C39 | C33 | 116.4° | 120.0° |
| O67 | C39 | O65 | 120.4° | 120.0° |
| C5 | C4 | C3 | 117.8° | 120.0° |
| C5 | C4 | O9 | 131.1° | 120.0° |
| C25 | C20 | C21 | 118.8° | 120.0° |
| C25 | C20 | O17 | 122.4° | 120.0° |
| C20 | C25 | H12 | 120.7° | 119.9° |
| O64 | C63 | O66 | 121.5° | 120.1° |
| C29 | C22 | C21 | 125.0° | 120.1° |
| C22 | C29 | N35 | 117.4° | 119.5° |
| C22 | C21 | C20 | 121.4° | 119.9° |
| C22 | C21 | H10 | 119.3° | 120.0° |
| C29 | N35 | C34 | 122.8° | 121.8° |
| C63 | O66 | H27 | 109.5° | 117.0° |
| O42 | C2 | C3 | 123.1° | 120.0° |
| C2 | O42 | C43 | 116.7° | 117.0° |
| C2 | C3 | C4 | 122.4° | 120.0° |
| C2 | C3 | H1 | 118.8° | 120.0° |
| C39 | C33 | C34 | 120.7° | 120.5° |
| C33 | C39 | O65 | 120.5° | 120.0° |
| C33 | C34 | N35 | 121.7° | 120.7° |
| C33 | C34 | H15 | 119.2° | 119.6° |
| C39 | O65 | H26 | 109.5° | 117.0° |
| C3 | C4 | O9 | 111.1° | 120.0° |
| C4 | C3 | H1 | 118.8° | 120.0° |
| C4 | O9 | C10 | 121.3° | 117.0° |
| O42 | C43 | H17 | 109.5° | 109.5° |
| O42 | C43 | H18 | 109.5° | 109.4° |
| O42 | C43 | H19 | 109.5° | 109.5° |
| C21 | C20 | O17 | 118.8° | 119.9° |
| C20 | C21 | H10 | 119.3° | 120.1° |
| C20 | O17 | C16 | 116.0° | 117.0° |
| O9 | C10 | C11 | 112.8° | 109.5° |
| O9 | C10 | H3 | 108.6° | 109.5° |
| O9 | C10 | H4 | 108.6° | 109.5° |
| C10 | C11 | C14 | 109.6° | 109.5° |
| C10 | C11 | O71 | 106.9° | 109.4° |
| C11 | C10 | H3 | 108.6° | 109.4° |
| C11 | C10 | H4 | 108.6° | 109.5° |
| C10 | C11 | H5 | 108.6° | 109.5° |
| N35 | C34 | H15 | 119.2° | 119.7° |
| O75 | C14 | C11 | 113.2° | 109.4° |
| O75 | C14 | C40 | 108.8° | 109.5° |
| O75 | C14 | H6 | 106.2° | 109.5° |
| C14 | O75 | H30 | 109.5° | 114.0° |
| O17 | C16 | C15 | 108.9° | 109.5° |
| O17 | C16 | H8 | 109.6° | 109.5° |
| O17 | C16 | H9 | 109.6° | 109.5° |
| C14 | C11 | O71 | 112.9° | 109.4° |
| C11 | C14 | C40 | 117.9° | 109.5° |
| C14 | C11 | H5 | 108.5° | 109.5° |
| C11 | C14 | H6 | 104.9° | 109.5° |
| O71 | C11 | H5 | 110.3° | 109.5° |
| C11 | O71 | H28 | 109.5° | 114.0° |
| C16 | C15 | C40 | 118.8° | 109.5° |
| C16 | C15 | O77 | 107.6° | 109.5° |
| C16 | C15 | H7 | 108.4° | 109.5° |
| C15 | C16 | H8 | 109.6° | 109.5° |
| C15 | C16 | H9 | 109.6° | 109.4° |
| C14 | C40 | C15 | 117.7° | 109.5° |
| C14 | C40 | O74 | 109.2° | 109.4° |
| C40 | C14 | H6 | 104.7° | 109.5° |
| C14 | C40 | H16 | 103.4° | 109.4° |
| C40 | C15 | O77 | 103.3° | 109.4° |
| C15 | C40 | O74 | 116.3° | 109.5° |
| C40 | C15 | H7 | 108.2° | 109.5° |
| C15 | C40 | H16 | 103.4° | 109.5° |
| O77 | C15 | H7 | 110.3° | 109.4° |
| C15 | O77 | H31 | 109.5° | 114.0° |
| O74 | C40 | H16 | 104.8° | 109.5° |
| C40 | O74 | H29 | 109.5° | 114.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H17 | C43 | H18 | 109.5° | 109.5° |
| H17 | C43 | H19 | 109.5° | 109.5° |
| H18 | C43 | H19 | 109.5° | 109.5° |
| H21 | C49 | H22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S51 | C54 | C55 | N59 | 179.9° | 179.7° |
| S51 | C54 | C55 | C56 | 179.8° | 180.0° |
| C54 | S51 | C49 | C48 | 92.2° | 180.0° |
| S51 | C54 | N59 | C58 | 179.9° | 179.7° |
| C54 | S51 | C49 | H21 | 147.1° | 60.0° |
| C54 | S51 | C49 | H22 | 28.5° | 60.0° |
| S51 | C54 | C55 | H23 | 0.2° | 0.1° |
| S51 | C49 | C48 | O50 | 84.5° | 0.0° |
| C49 | S51 | C54 | C55 | 178.1° | 179.7° |
| C49 | S51 | C54 | N59 | 2.0° | 0.0° |
| S51 | C49 | C48 | H21 | 120.7° | 120.0° |
| S51 | C49 | C48 | H22 | 120.7° | 120.0° |
| S51 | C49 | C48 | N47 | 75.3° | 180.0° |
| S51 | C49 | H21 | H22 | 118.0° | 120.0° |
| O50 | C48 | C49 | N47 | 159.8° | 180.0° |
| O50 | C48 | N47 | C1 | 50.3° | 4.5° |
| O50 | C48 | N47 | H20 | 129.7° | 175.5° |
| O50 | C48 | C49 | H21 | 36.2° | 120.0° |
| O50 | C48 | C49 | H22 | 154.9° | 120.0° |
| C54 | C55 | C56 | H23 | 180.0° | 179.9° |
| C54 | C55 | C56 | C57 | 0.1° | 0.1° |
| C55 | C54 | N59 | C58 | 0.0° | 0.6° |
| C54 | C55 | C56 | H24 | 179.9° | 180.0° |
| C56 | C55 | C54 | N59 | 0.1° | 0.3° |
| C55 | C56 | C57 | H24 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.1° | 0.1° |
| C55 | C56 | C57 | C63 | 179.8° | 180.0° |
| F30 | C24 | C23 | C25 | 179.6° | 179.7° |
| F30 | C24 | C23 | C22 | 179.7° | 180.0° |
| F30 | C24 | C25 | C20 | 179.7° | 179.8° |
| F30 | C24 | C23 | H11 | 0.3° | 0.0° |
| F30 | C24 | C25 | H12 | 0.3° | 0.2° |
| C54 | N59 | C58 | C57 | 0.1° | 0.6° |
| N59 | C54 | C55 | H23 | 179.9° | 179.8° |
| C54 | N59 | C58 | H25 | 179.9° | 179.7° |
| C49 | C48 | N47 | C1 | 150.7° | 175.6° |
| C49 | C48 | N47 | H20 | 29.3° | 4.5° |
| C48 | C49 | H21 | H22 | 118.0° | 120.0° |
| C48 | N47 | C1 | H20 | 180.0° | 180.0° |
| C48 | N47 | C1 | C6 | 30.7° | 34.7° |
| C48 | N47 | C1 | C2 | 149.0° | 145.6° |
| N47 | C48 | C49 | H21 | 164.1° | 59.9° |
| N47 | C48 | C49 | H22 | 45.4° | 60.0° |
| C56 | C57 | C58 | N59 | 0.2° | 0.3° |
| C56 | C57 | C58 | C63 | 179.9° | 179.9° |
| C56 | C57 | C63 | O64 | 10.6° | 0.1° |
| C56 | C57 | C63 | O66 | 161.6° | 180.0° |
| C57 | C56 | C55 | H23 | 179.9° | 180.0° |
| C56 | C57 | C58 | H25 | 179.8° | 180.0° |
| N47 | C1 | C6 | C2 | 179.7° | 179.7° |
| N47 | C1 | C6 | C5 | 179.9° | 179.7° |
| N47 | C1 | C2 | O42 | 0.4° | 0.3° |
| N47 | C1 | C2 | C3 | 179.9° | 179.7° |
| N47 | C1 | C6 | H2 | 0.1° | 0.2° |
| C24 | C23 | C22 | H11 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.1° | 0.5° |
| C24 | C23 | C22 | C29 | 179.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.1° |
| C23 | C24 | C25 | H12 | 179.9° | 179.9° |
| C25 | C24 | C23 | C22 | 0.2° | 0.3° |
| C24 | C25 | C20 | H12 | 180.0° | 179.6° |
| C24 | C25 | C20 | C21 | 0.1° | 0.5° |
| C24 | C25 | C20 | O17 | 179.9° | 179.8° |
| C25 | C24 | C23 | H11 | 179.8° | 179.7° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | CL4 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C6 | C1 | C2 | O42 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | N47 | H20 | 149.3° | 145.3° |
| C6 | C5 | CL4 | C4 | 179.3° | 179.9° |
| C5 | C6 | C1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C6 | C5 | C4 | O9 | 179.4° | 180.0° |
| C23 | C22 | C29 | C31 | 28.0° | 0.2° |
| C23 | C22 | C29 | C21 | 178.7° | 180.0° |
| C23 | C22 | C29 | N35 | 150.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H10 | 179.8° | 180.0° |
| CL4 | C5 | C4 | C3 | 179.9° | 180.0° |
| CL4 | C5 | C4 | O9 | 0.2° | 0.1° |
| CL4 | C5 | C6 | H2 | 0.0° | 0.1° |
| C32 | C31 | C29 | H13 | 180.0° | 180.0° |
| C31 | C32 | C33 | H14 | 180.0° | 180.0° |
| C32 | C31 | C29 | C22 | 178.9° | 180.0° |
| C32 | C31 | C29 | N35 | 0.0° | 0.2° |
| C31 | C32 | C33 | C39 | 179.4° | 180.0° |
| C31 | C32 | C33 | C34 | 0.3° | 0.0° |
| C29 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C29 | C22 | N35 | 178.9° | 179.8° |
| C31 | C29 | C22 | C21 | 153.3° | 179.8° |
| C31 | C29 | N35 | C34 | 0.1° | 0.5° |
| C29 | C31 | C32 | H14 | 179.9° | 180.0° |
| C32 | C33 | C39 | O67 | 8.7° | 0.1° |
| C32 | C33 | C39 | C34 | 179.7° | 179.9° |
| C32 | C33 | C39 | O65 | 152.9° | 180.0° |
| C32 | C33 | C34 | N35 | 0.4° | 0.2° |
| C33 | C32 | C31 | H13 | 179.9° | 180.0° |
| C32 | C33 | C34 | H15 | 179.6° | 180.0° |
| N59 | C58 | C57 | H25 | 180.0° | 179.7° |
| N59 | C58 | C57 | C63 | 179.7° | 179.8° |
| C1 | C2 | O42 | C3 | 179.5° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C1 | C2 | O42 | C43 | 170.7° | 180.0° |
| C1 | C2 | C3 | H1 | 179.3° | 179.9° |
| C2 | C1 | C6 | H2 | 179.5° | 180.0° |
| C2 | C1 | N47 | H20 | 31.0° | 34.4° |
| C58 | C57 | C63 | O64 | 169.5° | 180.0° |
| C58 | C57 | C63 | O66 | 18.3° | 0.1° |
| C58 | C57 | C56 | H24 | 180.0° | 180.0° |
| C57 | C63 | O64 | O66 | 171.8° | 179.9° |
| C63 | C57 | C56 | H24 | 0.1° | 0.1° |
| C63 | C57 | C58 | H25 | 0.3° | 0.1° |
| C57 | C63 | O66 | H27 | 172.2° | 180.0° |
| O67 | C39 | C33 | O65 | 161.5° | 179.9° |
| O67 | C39 | C33 | C34 | 171.6° | 180.0° |
| O67 | C39 | O65 | H26 | 0.0° | 0.1° |
| C5 | C4 | C3 | C2 | 0.9° | 0.1° |
| C5 | C4 | C3 | O9 | 179.7° | 179.9° |
| C5 | C4 | O9 | C10 | 88.7° | 180.0° |
| C5 | C4 | C3 | H1 | 179.1° | 179.9° |
| C4 | C5 | C6 | H2 | 179.3° | 180.0° |
| C25 | C20 | C21 | C22 | 0.2° | 0.2° |
| C25 | C20 | C21 | O17 | 179.8° | 179.8° |
| C25 | C20 | O17 | C16 | 54.8° | 0.2° |
| C25 | C20 | C21 | H10 | 179.8° | 179.8° |
| O64 | C63 | O66 | H27 | 0.0° | 0.0° |
| C29 | C22 | C21 | C20 | 178.9° | 180.0° |
| C22 | C29 | N35 | C34 | 179.1° | 179.7° |
| C29 | C22 | C21 | H10 | 1.1° | 0.0° |
| C29 | C22 | C23 | H11 | 1.0° | 0.0° |
| C22 | C29 | C31 | H13 | 1.1° | 0.0° |
| C21 | C22 | C29 | N35 | 27.7° | 0.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | O17 | 180.0° | 180.0° |
| C21 | C22 | C23 | H11 | 179.8° | 180.0° |
| C29 | N35 | C34 | C33 | 0.3° | 0.5° |
| N35 | C29 | C31 | H13 | 180.0° | 179.8° |
| C29 | N35 | C34 | H15 | 179.7° | 179.7° |
| O42 | C2 | C3 | C4 | 179.9° | 180.0° |
| O42 | C2 | C3 | H1 | 0.1° | 0.1° |
| C2 | O42 | C43 | H17 | 180.0° | 59.9° |
| C2 | O42 | C43 | H18 | 60.0° | 180.0° |
| C2 | O42 | C43 | H19 | 60.0° | 60.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | O9 | 179.4° | 180.0° |
| C3 | C2 | O42 | C43 | 8.8° | 0.1° |
| C39 | C33 | C34 | N35 | 179.4° | 179.7° |
| C39 | C33 | C32 | H14 | 0.5° | 0.0° |
| C39 | C33 | C34 | H15 | 0.6° | 0.1° |
| C33 | C39 | O65 | H26 | 160.8° | 180.0° |
| C34 | C33 | C39 | O65 | 26.9° | 0.1° |
| C33 | C34 | N35 | H15 | 180.0° | 179.8° |
| C34 | C33 | C32 | H14 | 179.7° | 179.9° |
| C3 | C4 | O9 | C10 | 91.0° | 0.0° |
| C4 | O9 | C10 | C11 | 167.8° | 180.0° |
| O9 | C4 | C3 | H1 | 0.7° | 0.1° |
| C4 | O9 | C10 | H3 | 47.3° | 60.0° |
| C4 | O9 | C10 | H4 | 71.7° | 60.0° |
| O42 | C43 | H17 | H18 | 120.0° | 120.0° |
| O42 | C43 | H17 | H19 | 120.0° | 120.0° |
| O42 | C43 | H18 | H19 | 120.0° | 120.0° |
| C21 | C20 | O17 | C16 | 125.0° | 180.0° |
| C21 | C20 | C25 | H12 | 179.9° | 179.9° |
| C20 | O17 | C16 | C15 | 173.6° | 180.0° |
| C20 | O17 | C16 | H8 | 53.7° | 60.0° |
| C20 | O17 | C16 | H9 | 66.5° | 60.0° |
| O17 | C20 | C21 | H10 | 0.1° | 0.0° |
| O17 | C20 | C25 | H12 | 0.1° | 0.2° |
| O9 | C10 | C11 | H3 | 120.5° | 120.0° |
| O9 | C10 | C11 | H4 | 120.5° | 120.0° |
| O9 | C10 | C11 | C14 | 112.1° | 175.0° |
| O9 | C10 | C11 | O71 | 10.5° | 65.0° |
| O9 | C10 | H3 | H4 | 118.5° | 120.0° |
| O9 | C10 | C11 | H5 | 129.5° | 55.0° |
| C10 | C11 | C14 | O75 | 56.2° | 60.0° |
| C10 | C11 | C14 | O71 | 119.0° | 120.0° |
| C10 | C11 | C14 | H5 | 118.5° | 120.0° |
| C10 | C11 | O71 | H5 | 117.9° | 120.0° |
| C10 | C11 | C14 | C40 | 175.2° | 180.0° |
| C11 | C10 | H3 | H4 | 118.4° | 120.0° |
| C10 | C11 | C14 | H6 | 59.2° | 60.0° |
| C10 | C11 | O71 | H28 | 180.0° | 60.0° |
| O75 | C14 | C11 | C40 | 128.6° | 120.0° |
| O75 | C14 | C11 | H6 | 115.4° | 120.0° |
| O75 | C14 | C11 | O71 | 175.2° | 180.0° |
| O75 | C14 | C40 | H6 | 113.3° | 120.0° |
| O75 | C14 | C40 | C15 | 13.9° | 55.0° |
| O75 | C14 | C40 | O74 | 149.5° | 65.0° |
| O75 | C14 | C11 | H5 | 62.3° | 60.0° |
| O75 | C14 | C40 | H16 | 99.3° | 175.1° |
| O17 | C16 | C15 | H8 | 119.9° | 120.0° |
| O17 | C16 | C15 | H9 | 119.9° | 120.0° |
| O17 | C16 | C15 | C40 | 139.9° | 175.0° |
| O17 | C16 | C15 | O77 | 103.3° | 65.0° |
| O17 | C16 | C15 | H7 | 16.0° | 55.0° |
| O17 | C16 | H8 | H9 | 120.3° | 120.0° |
| C14 | C11 | O71 | H5 | 121.5° | 120.0° |
| C11 | C14 | C40 | H6 | 116.1° | 120.0° |
| C11 | C14 | C40 | C15 | 116.8° | 174.9° |
| C11 | C14 | C40 | O74 | 18.8° | 55.0° |
| C14 | C11 | C10 | H3 | 8.4° | 65.0° |
| C14 | C11 | C10 | H4 | 127.4° | 55.0° |
| C11 | C14 | C40 | H16 | 130.0° | 65.0° |
| C14 | C11 | O71 | H28 | 59.4° | 60.0° |
| C11 | C14 | O75 | H30 | 180.0° | 60.1° |
| O71 | C11 | C14 | C40 | 56.2° | 60.0° |
| O71 | C11 | C10 | H3 | 131.1° | 55.0° |
| O71 | C11 | C10 | H4 | 110.0° | 175.0° |
| O71 | C11 | C14 | H6 | 59.8° | 60.0° |
| C16 | C15 | C40 | C14 | 45.9° | 180.0° |
| C16 | C15 | C40 | O77 | 119.0° | 120.0° |
| C16 | C15 | C40 | H7 | 124.0° | 120.1° |
| C16 | C15 | O77 | H7 | 118.1° | 120.0° |
| C16 | C15 | C40 | O74 | 86.7° | 60.0° |
| C15 | C16 | H8 | H9 | 120.3° | 120.0° |
| C16 | C15 | C40 | H16 | 159.0° | 60.0° |
| C16 | C15 | O77 | H31 | 180.0° | 60.0° |
| C14 | C40 | C15 | O74 | 132.5° | 120.0° |
| C14 | C40 | C15 | H16 | 113.2° | 120.0° |
| C14 | C40 | C15 | O77 | 164.8° | 60.0° |
| C14 | C40 | O74 | H16 | 110.2° | 119.9° |
| C40 | C14 | C11 | H5 | 66.3° | 60.0° |
| C14 | C40 | C15 | H7 | 78.2° | 59.9° |
| C14 | C40 | O74 | H29 | 180.0° | 60.0° |
| C40 | C14 | O75 | H30 | 46.8° | 60.0° |
| C40 | C15 | O77 | H7 | 115.5° | 120.0° |
| C15 | C40 | O74 | H16 | 113.5° | 120.1° |
| C15 | C40 | C14 | H6 | 127.1° | 65.0° |
| C40 | C15 | C16 | H8 | 100.2° | 55.0° |
| C40 | C15 | C16 | H9 | 20.0° | 65.0° |
| C15 | C40 | O74 | H29 | 43.7° | 60.0° |
| C40 | C15 | O77 | H31 | 53.5° | 60.0° |
| O77 | C15 | C40 | O74 | 32.3° | 180.0° |
| O77 | C15 | C16 | H8 | 16.6° | 175.0° |
| O77 | C15 | C16 | H9 | 136.8° | 55.0° |
| O77 | C15 | C40 | H16 | 82.0° | 60.0° |
| O74 | C40 | C14 | H6 | 97.3° | 175.0° |
| O74 | C40 | C15 | H7 | 149.3° | 60.0° |
| H3 | C10 | C11 | H5 | 110.0° | 175.0° |
| H4 | C10 | C11 | H5 | 9.0° | 65.0° |
| H5 | C11 | C14 | H6 | 177.7° | 180.0° |
| H5 | C11 | O71 | H28 | 62.1° | 180.0° |
| H6 | C14 | C40 | H16 | 14.0° | 55.1° |
| H6 | C14 | O75 | H30 | 65.5° | 180.0° |
| H7 | C15 | C16 | H8 | 135.9° | 65.0° |
| H7 | C15 | C16 | H9 | 103.9° | 175.0° |
| H7 | C15 | C40 | H16 | 35.0° | 180.0° |
| H7 | C15 | O77 | H31 | 61.9° | 180.0° |
| H13 | C31 | C32 | H14 | 0.1° | 0.0° |
| H16 | C40 | O74 | H29 | 69.8° | 180.0° |
| H17 | C43 | H18 | H19 | 120.0° | 120.0° |
| H23 | C55 | C56 | H24 | 0.1° | 0.1° |
