EJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| O1 | C1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C17 | O4 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| O4 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | O3 | sing | 1.43Å | 1.45Å | |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C8 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C22 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N | sing | 1.39Å | 1.36Å | |
| C10 | C23 | sing | 1.48Å | 1.51Å | |
| N | S | sing | 1.66Å | 1.61Å | |
| C23 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| O6 | S | doub | 1.42Å | 1.48Å | |
| C6 | C3 | sing | 1.53Å | 1.54Å | |
| S | O5 | doub | 1.42Å | 1.49Å | |
| S | C31 | sing | 1.81Å | 1.66Å | |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| O1 | H31 | sing | 0.97Å | 0.95Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C15 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 111.2° | 109.7° |
| C19 | C18 | C17 | 111.6° | 108.3° |
| C18 | C19 | H34 | 109.0° | 109.5° |
| C18 | C19 | H35 | 109.0° | 109.4° |
| C19 | C18 | H36 | 108.9° | 109.8° |
| C19 | C18 | H37 | 108.9° | 109.7° |
| C19 | C20 | C21 | 118.8° | 118.7° |
| C19 | C20 | C16 | 120.9° | 121.4° |
| C20 | C19 | H34 | 109.0° | 109.4° |
| C20 | C19 | H35 | 109.1° | 109.4° |
| C18 | C17 | O4 | 109.4° | 108.4° |
| C17 | C18 | H36 | 108.9° | 109.7° |
| C17 | C18 | H37 | 108.9° | 109.7° |
| C18 | C17 | H38 | 109.5° | 109.7° |
| C18 | C17 | H39 | 109.5° | 109.7° |
| O2 | C1 | O1 | 122.2° | 120.0° |
| O2 | C1 | C2 | 119.0° | 120.0° |
| O1 | C1 | C2 | 118.7° | 120.0° |
| C1 | O1 | H31 | 109.5° | 117.0° |
| C1 | C2 | C7 | 110.9° | 109.5° |
| C1 | C2 | O3 | 110.5° | 109.5° |
| C1 | C2 | H1 | 107.1° | 109.5° |
| C17 | O4 | C16 | 120.4° | 117.8° |
| O4 | C17 | H38 | 109.5° | 109.7° |
| O4 | C17 | H39 | 109.5° | 109.7° |
| C21 | C20 | C16 | 120.3° | 119.9° |
| C20 | C21 | C13 | 118.8° | 120.2° |
| C20 | C21 | H32 | 120.6° | 119.9° |
| C20 | C16 | O4 | 121.1° | 121.8° |
| C20 | C16 | C15 | 120.7° | 119.9° |
| C21 | C13 | C12 | 120.2° | 120.1° |
| C21 | C13 | C14 | 120.4° | 119.8° |
| C13 | C21 | H32 | 120.6° | 119.9° |
| C30 | C25 | C24 | 118.0° | 119.9° |
| C30 | C25 | C26 | 122.2° | 120.0° |
| C25 | C30 | H27 | 109.5° | 109.5° |
| C25 | C30 | H28 | 109.5° | 109.5° |
| C25 | C30 | H29 | 109.4° | 109.5° |
| C25 | C24 | C23 | 120.4° | 119.9° |
| C24 | C25 | C26 | 119.7° | 120.1° |
| C25 | C24 | H30 | 119.8° | 120.1° |
| C24 | C23 | C10 | 122.1° | 120.1° |
| C24 | C23 | C28 | 119.1° | 119.8° |
| C23 | C24 | H30 | 119.8° | 120.1° |
| O4 | C16 | C15 | 118.2° | 118.3° |
| C16 | C15 | C14 | 119.3° | 120.4° |
| C16 | C15 | H33 | 120.4° | 119.8° |
| C7 | C2 | O3 | 113.1° | 109.5° |
| C2 | C7 | C12 | 118.2° | 119.9° |
| C2 | C7 | C8 | 122.4° | 119.9° |
| C7 | C2 | H1 | 107.0° | 109.4° |
| C2 | O3 | C3 | 121.6° | 114.0° |
| O3 | C2 | H1 | 107.9° | 109.5° |
| C25 | C26 | C29 | 122.7° | 119.9° |
| C25 | C26 | C27 | 119.9° | 120.3° |
| C12 | C13 | C14 | 119.4° | 120.1° |
| C13 | C12 | C7 | 119.4° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.8° |
| C13 | C14 | H11 | 119.8° | 120.1° |
| C12 | C7 | C8 | 119.4° | 120.2° |
| C7 | C12 | C11 | 120.9° | 120.0° |
| C7 | C8 | C32 | 121.7° | 119.9° |
| C7 | C8 | C9 | 119.1° | 120.1° |
| C32 | C8 | C9 | 119.2° | 119.9° |
| C8 | C32 | H19 | 109.5° | 109.5° |
| C8 | C32 | H20 | 109.5° | 109.5° |
| C8 | C32 | H21 | 109.4° | 109.5° |
| C12 | C11 | C22 | 120.2° | 120.1° |
| C12 | C11 | C10 | 119.9° | 119.8° |
| C8 | C9 | C10 | 121.5° | 120.0° |
| C8 | C9 | N | 120.3° | 120.0° |
| C22 | C11 | C10 | 119.9° | 120.1° |
| C11 | C22 | H12 | 109.5° | 109.5° |
| C11 | C22 | H13 | 109.5° | 109.5° |
| C11 | C22 | H14 | 109.5° | 109.5° |
| C11 | C10 | C9 | 119.2° | 119.8° |
| C11 | C10 | C23 | 120.3° | 120.1° |
| C10 | C9 | N | 118.2° | 120.0° |
| C9 | C10 | C23 | 120.5° | 120.2° |
| C9 | N | S | 127.4° | 120.0° |
| C9 | N | H18 | 104.9° | 120.0° |
| C10 | C23 | C28 | 118.8° | 120.1° |
| N | S | O6 | 108.8° | 104.2° |
| N | S | O5 | 108.0° | 104.3° |
| N | S | C31 | 113.5° | 104.5° |
| S | N | H18 | 104.8° | 120.0° |
| C23 | C28 | C27 | 121.1° | 119.9° |
| C23 | C28 | H22 | 119.5° | 120.1° |
| O3 | C3 | C6 | 113.6° | 109.4° |
| O3 | C3 | C5 | 105.1° | 109.5° |
| O3 | C3 | C4 | 111.1° | 109.5° |
| C15 | C14 | H11 | 119.8° | 120.1° |
| C14 | C15 | H33 | 120.3° | 119.8° |
| C29 | C26 | C27 | 117.4° | 119.9° |
| C26 | C29 | H24 | 109.5° | 109.4° |
| C26 | C29 | H25 | 109.5° | 109.5° |
| C26 | C29 | H26 | 109.5° | 109.5° |
| C26 | C27 | C28 | 119.9° | 120.1° |
| C26 | C27 | H23 | 120.1° | 120.0° |
| O6 | S | O5 | 109.3° | 121.0° |
| O6 | S | C31 | 108.3° | 110.5° |
| C6 | C3 | C5 | 109.7° | 109.5° |
| C6 | C3 | C4 | 109.2° | 109.5° |
| C3 | C6 | H8 | 109.5° | 109.4° |
| C3 | C6 | H9 | 109.5° | 109.5° |
| C3 | C6 | H10 | 109.5° | 109.5° |
| O5 | S | C31 | 108.9° | 110.6° |
| S | C31 | H15 | 109.5° | 109.4° |
| S | C31 | H16 | 109.5° | 109.4° |
| S | C31 | H17 | 109.5° | 109.4° |
| C27 | C28 | H22 | 119.5° | 120.0° |
| C28 | C27 | H23 | 120.1° | 120.0° |
| C5 | C3 | C4 | 107.9° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.4° |
| C3 | C5 | H7 | 109.5° | 109.4° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H2 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.6° |
| H12 | C22 | H13 | 109.4° | 109.5° |
| H12 | C22 | H14 | 109.4° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H17 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.4° | 109.4° |
| H19 | C32 | H21 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.4° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.4° |
| H36 | C18 | H37 | 109.5° | 109.7° |
| H38 | C17 | H39 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H34 | 120.2° | 120.1° |
| C18 | C19 | C20 | H35 | 120.3° | 120.0° |
| C19 | C18 | C17 | H36 | 120.3° | 119.8° |
| C19 | C18 | C17 | H37 | 120.3° | 119.7° |
| C19 | C18 | C17 | O4 | 57.8° | 64.7° |
| C18 | C19 | C20 | C21 | 163.5° | 162.3° |
| C18 | C19 | C20 | C16 | 16.2° | 18.1° |
| C18 | C19 | H34 | H35 | 119.2° | 119.9° |
| C19 | C18 | H36 | H37 | 119.0° | 120.6° |
| C19 | C18 | C17 | H38 | 177.8° | 55.1° |
| C19 | C18 | C17 | H39 | 62.2° | 175.5° |
| C20 | C19 | C18 | C17 | 44.2° | 48.2° |
| C19 | C20 | C21 | C16 | 179.7° | 179.6° |
| C19 | C20 | C21 | C13 | 179.7° | 179.5° |
| C19 | C20 | C16 | O4 | 0.5° | 0.9° |
| C19 | C20 | C16 | C15 | 180.0° | 179.2° |
| C19 | C20 | C21 | H32 | 0.3° | 0.6° |
| C20 | C19 | H34 | H35 | 119.2° | 119.9° |
| C20 | C19 | C18 | H36 | 76.2° | 167.9° |
| C20 | C19 | C18 | H37 | 164.5° | 71.4° |
| C18 | C17 | O4 | H38 | 120.0° | 119.8° |
| C18 | C17 | O4 | H39 | 120.0° | 119.7° |
| C18 | C17 | O4 | C16 | 43.5° | 49.4° |
| C17 | C18 | C19 | H34 | 76.1° | 71.9° |
| C17 | C18 | C19 | H35 | 164.5° | 168.3° |
| C17 | C18 | H36 | H37 | 119.0° | 120.5° |
| C18 | C17 | H38 | H39 | 120.0° | 120.5° |
| O2 | C1 | O1 | C2 | 179.1° | 179.8° |
| O2 | C1 | C2 | C7 | 38.2° | 115.0° |
| O2 | C1 | C2 | O3 | 164.5° | 5.0° |
| O2 | C1 | C2 | H1 | 78.3° | 125.0° |
| O2 | C1 | O1 | H31 | 0.0° | 0.2° |
| O1 | C1 | C2 | C7 | 140.9° | 65.2° |
| O1 | C1 | C2 | O3 | 14.6° | 174.8° |
| O1 | C1 | C2 | H1 | 102.6° | 54.7° |
| C1 | C2 | C7 | O3 | 124.8° | 120.0° |
| C1 | C2 | C7 | H1 | 116.5° | 120.0° |
| C1 | C2 | O3 | H1 | 116.8° | 120.1° |
| C1 | C2 | C7 | C12 | 106.0° | 105.0° |
| C1 | C2 | C7 | C8 | 73.4° | 75.3° |
| C1 | C2 | O3 | C3 | 140.6° | 90.0° |
| C2 | C1 | O1 | H31 | 179.1° | 180.0° |
| C17 | O4 | C16 | C20 | 15.3° | 17.6° |
| C17 | O4 | C16 | C15 | 165.2° | 162.5° |
| O4 | C17 | C18 | H36 | 62.6° | 175.5° |
| O4 | C17 | C18 | H37 | 178.1° | 54.9° |
| O4 | C17 | H38 | H39 | 120.0° | 120.5° |
| C20 | C21 | C13 | H32 | 180.0° | 179.9° |
| C21 | C20 | C16 | O4 | 179.2° | 179.4° |
| C21 | C20 | C16 | C15 | 0.3° | 0.4° |
| C20 | C21 | C13 | C12 | 179.4° | 180.0° |
| C20 | C21 | C13 | C14 | 0.7° | 0.3° |
| C21 | C20 | C19 | H34 | 76.2° | 77.6° |
| C21 | C20 | C19 | H35 | 43.2° | 42.3° |
| C16 | C20 | C21 | C13 | 0.6° | 0.1° |
| C20 | C16 | O4 | C15 | 179.5° | 179.9° |
| C20 | C16 | C15 | C14 | 0.1° | 0.3° |
| C16 | C20 | C21 | H32 | 179.4° | 179.8° |
| C20 | C16 | C15 | H33 | 179.9° | 179.9° |
| C16 | C20 | C19 | H34 | 104.1° | 102.1° |
| C16 | C20 | C19 | H35 | 136.5° | 138.1° |
| C21 | C13 | C12 | C14 | 179.9° | 179.7° |
| C21 | C13 | C12 | C7 | 84.0° | 114.7° |
| C21 | C13 | C12 | C11 | 96.5° | 65.3° |
| C21 | C13 | C14 | C15 | 0.5° | 0.4° |
| C21 | C13 | C14 | H11 | 179.5° | 179.7° |
| C30 | C25 | C24 | C26 | 179.7° | 179.7° |
| C30 | C25 | C24 | C23 | 179.9° | 179.8° |
| C30 | C25 | C26 | C29 | 0.1° | 0.0° |
| C30 | C25 | C26 | C27 | 180.0° | 179.9° |
| C25 | C30 | H27 | H28 | 120.0° | 120.0° |
| C25 | C30 | H27 | H29 | 120.0° | 120.0° |
| C25 | C30 | H28 | H29 | 120.0° | 120.0° |
| C30 | C25 | C24 | H30 | 0.1° | 0.3° |
| C25 | C24 | C23 | H30 | 180.0° | 179.9° |
| C25 | C24 | C23 | C10 | 179.4° | 180.0° |
| C25 | C24 | C23 | C28 | 0.3° | 0.2° |
| C24 | C25 | C26 | C29 | 179.9° | 179.8° |
| C24 | C25 | C26 | C27 | 0.3° | 0.3° |
| C24 | C25 | C30 | H27 | 90.1° | 90.3° |
| C24 | C25 | C30 | H28 | 149.9° | 29.8° |
| C24 | C25 | C30 | H29 | 29.9° | 149.8° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C10 | C11 | 80.1° | 62.2° |
| C24 | C23 | C10 | C9 | 101.3° | 117.8° |
| C24 | C23 | C10 | C28 | 179.1° | 179.8° |
| C24 | C23 | C28 | C27 | 0.6° | 0.2° |
| C24 | C23 | C28 | H22 | 179.4° | 179.8° |
| O4 | C16 | C15 | C14 | 179.4° | 179.6° |
| O4 | C16 | C15 | H33 | 0.6° | 0.2° |
| C16 | O4 | C17 | H38 | 163.5° | 70.4° |
| C16 | O4 | C17 | H39 | 76.5° | 169.1° |
| C16 | C15 | C14 | C13 | 0.2° | 0.1° |
| C16 | C15 | C14 | H33 | 180.0° | 179.8° |
| C16 | C15 | C14 | H11 | 179.8° | 180.0° |
| C7 | C2 | O3 | H1 | 118.2° | 119.9° |
| C2 | C7 | C12 | C13 | 0.4° | 0.1° |
| C2 | C7 | C12 | C8 | 179.4° | 179.7° |
| C2 | C7 | C8 | C32 | 0.0° | 0.2° |
| C2 | C7 | C12 | C11 | 179.9° | 180.0° |
| C2 | C7 | C8 | C9 | 179.6° | 179.8° |
| C7 | C2 | O3 | C3 | 94.3° | 150.0° |
| O3 | C2 | C7 | C12 | 129.2° | 135.0° |
| O3 | C2 | C7 | C8 | 51.5° | 44.7° |
| C2 | O3 | C3 | C6 | 42.5° | 60.0° |
| C2 | O3 | C3 | C5 | 162.4° | 60.0° |
| C2 | O3 | C3 | C4 | 81.1° | 180.0° |
| C25 | C26 | C29 | C27 | 179.8° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.3° |
| C25 | C26 | C27 | H23 | 180.0° | 179.7° |
| C25 | C26 | C29 | H24 | 89.9° | 90.0° |
| C25 | C26 | C29 | H25 | 150.1° | 150.0° |
| C25 | C26 | C29 | H26 | 30.1° | 29.9° |
| C26 | C25 | C30 | H27 | 90.1° | 90.0° |
| C26 | C25 | C30 | H28 | 29.9° | 149.9° |
| C26 | C25 | C30 | H29 | 149.8° | 30.0° |
| C26 | C25 | C24 | H30 | 179.9° | 180.0° |
| C13 | C12 | C7 | C11 | 179.5° | 179.9° |
| C13 | C12 | C7 | C8 | 179.8° | 179.8° |
| C13 | C12 | C11 | C22 | 0.4° | 0.1° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 179.6° | 179.9° |
| C12 | C13 | C14 | H11 | 0.4° | 0.0° |
| C12 | C13 | C21 | H32 | 0.5° | 0.1° |
| C14 | C13 | C12 | C7 | 96.1° | 64.9° |
| C14 | C13 | C12 | C11 | 83.4° | 115.0° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C14 | C13 | C21 | H32 | 179.3° | 179.8° |
| C13 | C14 | C15 | H33 | 179.8° | 179.7° |
| C12 | C7 | C8 | C32 | 179.4° | 179.9° |
| C12 | C7 | C8 | C9 | 1.1° | 0.5° |
| C7 | C12 | C11 | C22 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | C7 | C2 | H1 | 10.5° | 15.0° |
| C7 | C8 | C32 | C9 | 179.5° | 179.5° |
| C8 | C7 | C12 | C11 | 0.7° | 0.3° |
| C7 | C8 | C9 | C10 | 1.5° | 0.5° |
| C7 | C8 | C9 | N | 179.1° | 179.8° |
| C8 | C7 | C2 | H1 | 170.1° | 164.7° |
| C7 | C8 | C32 | H19 | 90.3° | 84.9° |
| C7 | C8 | C32 | H20 | 149.8° | 35.0° |
| C7 | C8 | C32 | H21 | 29.8° | 155.0° |
| C32 | C8 | C9 | C10 | 179.0° | 179.9° |
| C32 | C8 | C9 | N | 1.3° | 0.3° |
| C8 | C32 | H19 | H20 | 120.0° | 120.0° |
| C8 | C32 | H19 | H21 | 120.0° | 120.0° |
| C8 | C32 | H20 | H21 | 120.0° | 120.0° |
| C12 | C11 | C22 | C10 | 179.4° | 179.9° |
| C12 | C11 | C10 | C9 | 1.0° | 0.1° |
| C12 | C11 | C10 | C23 | 179.6° | 179.9° |
| C12 | C11 | C22 | H12 | 90.3° | 90.1° |
| C12 | C11 | C22 | H13 | 149.7° | 29.9° |
| C12 | C11 | C22 | H14 | 29.7° | 149.9° |
| C8 | C9 | C10 | C11 | 1.4° | 0.3° |
| C8 | C9 | C10 | N | 177.7° | 179.7° |
| C8 | C9 | C10 | C23 | 180.0° | 179.7° |
| C8 | C9 | N | S | 82.2° | 108.0° |
| C8 | C9 | N | H18 | 40.1° | 71.9° |
| C9 | C8 | C32 | H19 | 90.2° | 95.5° |
| C9 | C8 | C32 | H20 | 29.8° | 144.5° |
| C9 | C8 | C32 | H21 | 149.7° | 24.5° |
| C22 | C11 | C10 | C9 | 179.6° | 180.0° |
| C22 | C11 | C10 | C23 | 1.0° | 0.0° |
| C11 | C22 | H12 | H13 | 120.0° | 120.0° |
| C11 | C22 | H12 | H14 | 120.0° | 120.0° |
| C11 | C22 | H13 | H14 | 120.0° | 120.0° |
| C11 | C10 | C9 | C23 | 178.6° | 180.0° |
| C11 | C10 | C9 | N | 179.1° | 180.0° |
| C11 | C10 | C23 | C28 | 98.9° | 117.6° |
| C10 | C11 | C22 | H12 | 90.3° | 90.0° |
| C10 | C11 | C22 | H13 | 29.7° | 150.0° |
| C10 | C11 | C22 | H14 | 149.7° | 30.0° |
| C10 | C9 | N | S | 100.0° | 71.6° |
| C9 | C10 | C23 | C28 | 79.6° | 62.4° |
| C10 | C9 | N | H18 | 137.6° | 108.4° |
| N | C9 | C10 | C23 | 2.3° | 0.0° |
| C9 | N | S | H18 | 122.4° | 179.9° |
| C9 | N | S | O6 | 116.4° | 54.3° |
| C9 | N | S | O5 | 125.0° | 177.9° |
| C9 | N | S | C31 | 4.2° | 61.7° |
| C10 | C23 | C28 | C27 | 179.7° | 180.0° |
| C10 | C23 | C28 | H22 | 0.3° | 0.0° |
| C10 | C23 | C24 | H30 | 0.6° | 0.1° |
| N | S | O6 | O5 | 117.7° | 116.7° |
| N | S | O6 | C31 | 123.8° | 111.7° |
| N | S | O5 | C31 | 123.6° | 111.8° |
| N | S | C31 | H15 | 180.0° | 55.0° |
| N | S | C31 | H16 | 60.0° | 65.0° |
| N | S | C31 | H17 | 60.0° | 175.0° |
| C23 | C28 | C27 | C26 | 0.5° | 0.1° |
| C23 | C28 | C27 | H22 | 180.0° | 180.0° |
| C23 | C28 | C27 | H23 | 179.5° | 179.9° |
| C28 | C23 | C24 | H30 | 179.7° | 179.7° |
| O3 | C3 | C6 | C5 | 117.3° | 120.0° |
| O3 | C3 | C6 | C4 | 124.6° | 120.0° |
| O3 | C3 | C5 | C4 | 118.6° | 120.0° |
| C3 | O3 | C2 | H1 | 23.8° | 30.1° |
| O3 | C3 | C4 | H2 | 180.0° | 60.1° |
| O3 | C3 | C4 | H3 | 60.0° | 59.9° |
| O3 | C3 | C4 | H4 | 60.0° | 180.0° |
| O3 | C3 | C5 | H5 | 180.0° | 180.0° |
| O3 | C3 | C5 | H6 | 60.0° | 60.0° |
| O3 | C3 | C5 | H7 | 60.0° | 60.0° |
| O3 | C3 | C6 | H8 | 180.0° | 180.0° |
| O3 | C3 | C6 | H9 | 60.0° | 60.0° |
| O3 | C3 | C6 | H10 | 60.0° | 60.1° |
| C29 | C26 | C27 | C28 | 179.8° | 179.8° |
| C29 | C26 | C27 | H23 | 0.2° | 0.2° |
| C26 | C29 | H24 | H25 | 120.0° | 120.0° |
| C26 | C29 | H24 | H26 | 120.0° | 120.0° |
| C26 | C29 | H25 | H26 | 120.0° | 120.0° |
| C26 | C27 | C28 | H23 | 180.0° | 180.0° |
| C26 | C27 | C28 | H22 | 179.5° | 179.9° |
| C27 | C26 | C29 | H24 | 89.9° | 90.1° |
| C27 | C26 | C29 | H25 | 30.1° | 29.9° |
| C27 | C26 | C29 | H26 | 150.1° | 150.0° |
| O6 | S | O5 | C31 | 118.1° | 131.5° |
| O6 | S | C31 | H15 | 59.0° | 56.6° |
| O6 | S | C31 | H16 | 179.0° | 176.6° |
| O6 | S | C31 | H17 | 61.0° | 63.4° |
| O6 | S | N | H18 | 6.0° | 125.7° |
| C6 | C3 | C5 | C4 | 118.9° | 120.0° |
| C6 | C3 | C4 | H2 | 54.0° | 180.0° |
| C6 | C3 | C4 | H3 | 174.0° | 60.0° |
| C6 | C3 | C4 | H4 | 66.0° | 60.0° |
| C6 | C3 | C5 | H5 | 57.5° | 60.0° |
| C6 | C3 | C5 | H6 | 62.5° | 60.0° |
| C6 | C3 | C5 | H7 | 177.6° | 180.0° |
| C3 | C6 | H8 | H9 | 120.0° | 119.9° |
| C3 | C6 | H8 | H10 | 120.0° | 120.0° |
| C3 | C6 | H9 | H10 | 120.0° | 120.1° |
| O5 | S | C31 | H15 | 59.7° | 166.7° |
| O5 | S | C31 | H16 | 60.2° | 46.6° |
| O5 | S | C31 | H17 | 179.8° | 73.3° |
| O5 | S | N | H18 | 112.6° | 2.1° |
| S | C31 | H15 | H16 | 120.0° | 120.0° |
| S | C31 | H15 | H17 | 120.0° | 120.0° |
| S | C31 | H16 | H17 | 120.0° | 120.0° |
| C31 | S | N | H18 | 126.6° | 118.2° |
| C5 | C3 | C4 | H2 | 65.2° | 60.0° |
| C5 | C3 | C4 | H3 | 54.8° | 180.0° |
| C5 | C3 | C4 | H4 | 174.8° | 60.0° |
| C3 | C5 | H5 | H6 | 120.0° | 120.0° |
| C3 | C5 | H5 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C3 | C6 | H8 | 62.7° | 60.0° |
| C5 | C3 | C6 | H9 | 177.3° | 179.9° |
| C5 | C3 | C6 | H10 | 57.3° | 60.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H4 | 120.0° | 120.0° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C4 | C3 | C5 | H5 | 61.4° | 60.0° |
| C4 | C3 | C5 | H6 | 178.6° | 180.0° |
| C4 | C3 | C5 | H7 | 58.6° | 60.0° |
| C4 | C3 | C6 | H8 | 55.4° | 60.0° |
| C4 | C3 | C6 | H9 | 64.6° | 59.9° |
| C4 | C3 | C6 | H10 | 175.4° | 180.0° |
| H2 | C4 | H3 | H4 | 120.0° | 120.0° |
| H5 | C5 | H6 | H7 | 120.0° | 120.1° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C14 | C15 | H33 | 0.2° | 0.2° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H15 | C31 | H16 | H17 | 120.0° | 120.1° |
| H19 | C32 | H20 | H21 | 120.0° | 120.0° |
| H22 | C28 | C27 | H23 | 0.5° | 0.0° |
| H24 | C29 | H25 | H26 | 119.9° | 120.0° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H34 | C19 | C18 | H36 | 163.6° | 47.8° |
| H34 | C19 | C18 | H37 | 44.2° | 168.4° |
| H35 | C19 | C18 | H36 | 44.1° | 72.0° |
| H35 | C19 | C18 | H37 | 75.2° | 48.6° |
| H36 | C18 | C17 | H38 | 57.4° | 64.7° |
| H36 | C18 | C17 | H39 | 177.4° | 55.8° |
| H37 | C18 | C17 | H38 | 61.9° | 174.7° |
| H37 | C18 | C17 | H39 | 58.1° | 64.8° |
