2YB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C38 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C22 | O23 | sing | 1.43Å | 1.44Å | |
| C16 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| O23 | C24 | sing | 1.36Å | 1.36Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| O33 | C31 | doub | 1.21Å | 1.21Å | |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.36Å | |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | O35 | sing | 1.36Å | 1.36Å | |
| C31 | O32 | sing | 1.34Å | 1.36Å | |
| C27 | C28 | sing | 1.52Å | 1.51Å | |
| O5 | C6 | sing | 1.43Å | 1.44Å | |
| O35 | C34 | sing | 1.44Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C28 | C34 | sing | 1.55Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | S9 | sing | 1.81Å | 1.82Å | |
| C8 | S9 | sing | 1.81Å | 1.82Å | |
| O11 | S9 | doub | 1.42Å | 1.43Å | |
| S9 | O12 | doub | 1.42Å | 1.43Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| O32 | H28 | sing | 0.97Å | 0.95Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 121.1° | 120.1° |
| C19 | C20 | C21 | 120.3° | 120.3° |
| C19 | C20 | H14 | 119.8° | 119.9° |
| C20 | C19 | H24 | 119.4° | 120.0° |
| C19 | C18 | C17 | 118.9° | 119.9° |
| C19 | C18 | H23 | 120.6° | 120.1° |
| C18 | C19 | H24 | 119.4° | 119.9° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | C38 | 119.6° | 120.1° |
| C21 | C20 | H14 | 119.9° | 119.9° |
| C18 | C17 | C38 | 120.2° | 119.7° |
| C18 | C17 | C16 | 121.6° | 120.1° |
| C17 | C18 | H23 | 120.6° | 120.0° |
| C22 | C21 | C38 | 120.5° | 120.0° |
| C21 | C22 | O23 | 109.2° | 109.5° |
| C21 | C22 | H15 | 109.6° | 109.5° |
| C21 | C22 | H16 | 109.5° | 109.5° |
| C21 | C38 | C17 | 119.9° | 119.9° |
| C21 | C38 | H32 | 120.0° | 120.0° |
| C38 | C17 | C16 | 118.2° | 120.1° |
| C17 | C38 | H32 | 120.1° | 120.1° |
| C17 | C16 | C2 | 119.9° | 120.1° |
| C17 | C16 | C14 | 120.2° | 120.0° |
| C1 | C2 | C16 | 122.7° | 120.0° |
| C1 | C2 | C3 | 118.1° | 120.0° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C2 | C1 | H20 | 109.5° | 109.4° |
| C2 | C1 | H21 | 109.4° | 109.5° |
| C22 | O23 | C24 | 122.2° | 117.0° |
| O23 | C22 | H15 | 109.5° | 109.5° |
| O23 | C22 | H16 | 109.6° | 109.4° |
| C2 | C16 | C14 | 119.9° | 119.9° |
| C16 | C2 | C3 | 119.3° | 120.0° |
| C16 | C14 | C15 | 122.4° | 120.1° |
| C16 | C14 | C13 | 119.8° | 119.9° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H22 | 119.6° | 119.9° |
| O23 | C24 | C25 | 121.0° | 119.8° |
| O23 | C24 | C37 | 118.9° | 120.0° |
| C15 | C14 | C13 | 117.8° | 120.0° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| C14 | C13 | C4 | 120.4° | 120.1° |
| C14 | C13 | H10 | 119.8° | 120.0° |
| C3 | C4 | C13 | 119.9° | 120.1° |
| C3 | C4 | O5 | 121.1° | 119.9° |
| C4 | C3 | H22 | 119.6° | 120.0° |
| C25 | C24 | C37 | 120.2° | 120.2° |
| C24 | C25 | C26 | 119.1° | 119.7° |
| C24 | C25 | H25 | 120.5° | 120.2° |
| C24 | C37 | C36 | 120.5° | 120.2° |
| C24 | C37 | H31 | 119.8° | 119.8° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C25 | C26 | H17 | 119.7° | 120.0° |
| C26 | C25 | H25 | 120.5° | 120.1° |
| O33 | C31 | C30 | 114.1° | 120.0° |
| O33 | C31 | O32 | 121.1° | 120.0° |
| C37 | C36 | C27 | 118.5° | 118.9° |
| C37 | C36 | O35 | 129.6° | 129.8° |
| C36 | C37 | H31 | 119.8° | 119.9° |
| C13 | C4 | O5 | 119.0° | 119.9° |
| C4 | C13 | H10 | 119.8° | 120.0° |
| C4 | O5 | C6 | 119.1° | 117.0° |
| C31 | C30 | C28 | 114.1° | 109.5° |
| C30 | C31 | O32 | 124.8° | 120.0° |
| C31 | C30 | H26 | 108.3° | 109.4° |
| C31 | C30 | H27 | 108.3° | 109.5° |
| C30 | C28 | C27 | 105.3° | 111.0° |
| C30 | C28 | C34 | 112.2° | 111.0° |
| C30 | C28 | H18 | 111.8° | 110.8° |
| C28 | C30 | H26 | 108.3° | 109.4° |
| C28 | C30 | H27 | 108.3° | 109.5° |
| C26 | C27 | C36 | 121.3° | 120.9° |
| C26 | C27 | C28 | 130.6° | 132.1° |
| C27 | C26 | H17 | 119.7° | 120.0° |
| C27 | C36 | O35 | 111.9° | 111.3° |
| C36 | C27 | C28 | 108.1° | 107.0° |
| C36 | O35 | C34 | 111.0° | 109.3° |
| C31 | O32 | H28 | 109.5° | 117.0° |
| C27 | C28 | C34 | 103.7° | 102.0° |
| C27 | C28 | H18 | 112.1° | 110.9° |
| O5 | C6 | C7 | 108.7° | 109.5° |
| O5 | C6 | H1 | 109.7° | 109.5° |
| O5 | C6 | H2 | 109.7° | 109.5° |
| O35 | C34 | C28 | 104.3° | 102.8° |
| O35 | C34 | H29 | 110.8° | 110.8° |
| O35 | C34 | H30 | 110.7° | 110.9° |
| C6 | C7 | C8 | 107.8° | 109.5° |
| C7 | C6 | H1 | 109.7° | 109.5° |
| C7 | C6 | H2 | 109.7° | 109.4° |
| C6 | C7 | H3 | 109.9° | 109.5° |
| C6 | C7 | H4 | 109.9° | 109.5° |
| C34 | C28 | H18 | 111.4° | 110.9° |
| C28 | C34 | H29 | 110.7° | 110.7° |
| C28 | C34 | H30 | 110.7° | 110.8° |
| C7 | C8 | S9 | 112.1° | 109.5° |
| C8 | C7 | H3 | 109.9° | 109.4° |
| C8 | C7 | H4 | 109.9° | 109.5° |
| C7 | C8 | H5 | 108.8° | 109.4° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C10 | S9 | C8 | 103.2° | 101.9° |
| C10 | S9 | O11 | 108.8° | 108.6° |
| C10 | S9 | O12 | 109.0° | 108.6° |
| S9 | C10 | H7 | 109.5° | 109.5° |
| S9 | C10 | H8 | 109.5° | 109.5° |
| S9 | C10 | H9 | 109.4° | 109.5° |
| C8 | S9 | O11 | 109.7° | 108.6° |
| C8 | S9 | O12 | 106.3° | 108.6° |
| S9 | C8 | H5 | 108.8° | 109.5° |
| S9 | C8 | H6 | 108.8° | 109.5° |
| O11 | S9 | O12 | 118.7° | 119.2° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.4° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.4° | 109.4° |
| H19 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H24 | 180.0° | 180.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | C22 | 179.6° | 179.4° |
| C19 | C20 | C21 | C38 | 1.0° | 0.6° |
| C20 | C19 | C18 | H23 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | H23 | 180.0° | 179.9° |
| C19 | C18 | C17 | C38 | 0.0° | 0.1° |
| C19 | C18 | C17 | C16 | 179.5° | 179.7° |
| C18 | C19 | C20 | H14 | 179.6° | 179.7° |
| C20 | C21 | C22 | C38 | 179.3° | 180.0° |
| C20 | C21 | C38 | C17 | 1.2° | 0.6° |
| C20 | C21 | C22 | O23 | 90.0° | 90.0° |
| C20 | C21 | C22 | H15 | 29.9° | 150.0° |
| C20 | C21 | C22 | H16 | 150.0° | 29.9° |
| C21 | C20 | C19 | H24 | 179.6° | 179.7° |
| C20 | C21 | C38 | H32 | 178.8° | 179.4° |
| C18 | C17 | C38 | C21 | 0.7° | 0.3° |
| C18 | C17 | C38 | C16 | 179.5° | 179.6° |
| C18 | C17 | C16 | C2 | 105.6° | 64.6° |
| C18 | C17 | C16 | C14 | 75.3° | 115.0° |
| C17 | C18 | C19 | H24 | 179.8° | 179.9° |
| C18 | C17 | C38 | H32 | 179.3° | 179.7° |
| C22 | C21 | C38 | C17 | 179.5° | 179.4° |
| C21 | C22 | O23 | H15 | 120.0° | 120.1° |
| C21 | C22 | O23 | H16 | 119.9° | 120.0° |
| C21 | C22 | O23 | C24 | 173.0° | 180.0° |
| C22 | C21 | C20 | H14 | 0.4° | 0.0° |
| C21 | C22 | H15 | H16 | 120.1° | 120.0° |
| C22 | C21 | C38 | H32 | 0.5° | 0.6° |
| C21 | C38 | C17 | H32 | 180.0° | 180.0° |
| C21 | C38 | C17 | C16 | 179.8° | 180.0° |
| C38 | C21 | C22 | O23 | 89.3° | 90.0° |
| C38 | C21 | C20 | H14 | 179.0° | 180.0° |
| C38 | C21 | C22 | H15 | 150.8° | 30.0° |
| C38 | C21 | C22 | H16 | 30.7° | 150.1° |
| C38 | C17 | C16 | C2 | 74.9° | 115.0° |
| C38 | C17 | C16 | C14 | 104.2° | 65.4° |
| C38 | C17 | C18 | H23 | 180.0° | 180.0° |
| C17 | C16 | C2 | C1 | 1.0° | 0.1° |
| C17 | C16 | C2 | C14 | 179.1° | 179.6° |
| C17 | C16 | C2 | C3 | 178.7° | 179.9° |
| C17 | C16 | C14 | C15 | 0.9° | 0.0° |
| C17 | C16 | C14 | C13 | 179.2° | 180.0° |
| C16 | C17 | C18 | H23 | 0.5° | 0.4° |
| C16 | C17 | C38 | H32 | 0.2° | 0.1° |
| C1 | C2 | C16 | C3 | 179.7° | 180.0° |
| C1 | C2 | C16 | C14 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H19 | H20 | 120.0° | 119.9° |
| C2 | C1 | H19 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 0.1° | 0.0° |
| C22 | O23 | C24 | C25 | 18.6° | 0.1° |
| C22 | O23 | C24 | C37 | 161.3° | 179.7° |
| O23 | C22 | H15 | H16 | 120.2° | 119.9° |
| C2 | C16 | C14 | C15 | 180.0° | 179.7° |
| C2 | C16 | C14 | C13 | 0.1° | 0.3° |
| C16 | C2 | C3 | C4 | 0.4° | 0.0° |
| C16 | C2 | C1 | H19 | 90.2° | 89.9° |
| C16 | C2 | C1 | H20 | 149.8° | 30.0° |
| C16 | C2 | C1 | H21 | 29.8° | 150.0° |
| C16 | C2 | C3 | H22 | 179.6° | 180.0° |
| C14 | C16 | C2 | C3 | 0.4° | 0.3° |
| C16 | C14 | C15 | C13 | 179.8° | 180.0° |
| C16 | C14 | C13 | C4 | 0.7° | 0.1° |
| C16 | C14 | C13 | H10 | 179.3° | 180.0° |
| C16 | C14 | C15 | H11 | 90.1° | 90.0° |
| C16 | C14 | C15 | H12 | 149.9° | 30.0° |
| C16 | C14 | C15 | H13 | 29.9° | 150.0° |
| C2 | C3 | C4 | H22 | 180.0° | 180.0° |
| C2 | C3 | C4 | C13 | 0.1° | 0.3° |
| C2 | C3 | C4 | O5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H19 | 90.1° | 90.0° |
| C3 | C2 | C1 | H20 | 29.9° | 150.0° |
| C3 | C2 | C1 | H21 | 149.9° | 30.0° |
| O23 | C24 | C25 | C37 | 180.0° | 179.6° |
| O23 | C24 | C25 | C26 | 179.5° | 179.8° |
| O23 | C24 | C37 | C36 | 179.3° | 179.6° |
| C24 | O23 | C22 | H15 | 53.1° | 59.9° |
| C24 | O23 | C22 | H16 | 67.0° | 60.1° |
| O23 | C24 | C25 | H25 | 0.5° | 0.2° |
| O23 | C24 | C37 | H31 | 0.7° | 0.4° |
| C15 | C14 | C13 | C4 | 179.5° | 180.0° |
| C15 | C14 | C13 | H10 | 0.5° | 0.0° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C4 | C3 | 0.7° | 0.2° |
| C14 | C13 | C4 | H10 | 180.0° | 180.0° |
| C14 | C13 | C4 | O5 | 179.8° | 180.0° |
| C13 | C14 | C15 | H11 | 90.1° | 90.0° |
| C13 | C14 | C15 | H12 | 29.9° | 149.9° |
| C13 | C14 | C15 | H13 | 149.9° | 30.0° |
| C3 | C4 | C13 | O5 | 179.5° | 179.8° |
| C3 | C4 | O5 | C6 | 10.7° | 0.2° |
| C3 | C4 | C13 | H10 | 179.3° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C37 | C36 | 0.7° | 0.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.1° |
| C24 | C25 | C26 | H17 | 179.6° | 179.8° |
| C25 | C24 | C37 | H31 | 179.3° | 180.0° |
| C37 | C24 | C25 | C26 | 0.5° | 0.2° |
| C24 | C37 | C36 | H31 | 180.0° | 179.9° |
| C24 | C37 | C36 | C27 | 0.9° | 0.3° |
| C24 | C37 | C36 | O35 | 179.4° | 179.4° |
| C37 | C24 | C25 | H25 | 179.6° | 179.8° |
| C25 | C26 | C27 | H17 | 180.0° | 179.9° |
| C25 | C26 | C27 | C36 | 0.7° | 0.3° |
| C25 | C26 | C27 | C28 | 179.7° | 179.4° |
| O33 | C31 | C30 | O32 | 179.9° | 179.9° |
| O33 | C31 | C30 | C28 | 158.9° | 0.1° |
| O33 | C31 | C30 | H26 | 80.4° | 120.0° |
| O33 | C31 | C30 | H27 | 38.2° | 120.0° |
| O33 | C31 | O32 | H28 | 0.0° | 0.1° |
| C37 | C36 | C27 | C26 | 0.9° | 0.5° |
| C37 | C36 | C27 | O35 | 179.8° | 179.7° |
| C37 | C36 | C27 | C28 | 179.9° | 179.3° |
| C37 | C36 | O35 | C34 | 173.8° | 161.3° |
| C13 | C4 | O5 | C6 | 169.8° | 180.0° |
| C13 | C4 | C3 | H22 | 179.8° | 179.7° |
| C4 | O5 | C6 | C7 | 165.2° | 180.0° |
| C4 | O5 | C6 | H1 | 75.0° | 60.0° |
| C4 | O5 | C6 | H2 | 45.3° | 60.1° |
| O5 | C4 | C13 | H10 | 0.2° | 0.1° |
| O5 | C4 | C3 | H22 | 0.4° | 0.0° |
| C31 | C30 | C28 | H26 | 120.7° | 119.9° |
| C31 | C30 | C28 | H27 | 120.7° | 120.1° |
| C31 | C30 | C28 | C27 | 161.6° | 179.0° |
| C31 | C30 | C28 | C34 | 86.2° | 66.4° |
| C31 | C30 | C28 | H18 | 39.7° | 57.3° |
| C31 | C30 | H26 | H27 | 117.9° | 120.0° |
| C30 | C31 | O32 | H28 | 179.9° | 179.9° |
| C30 | C28 | C27 | C26 | 66.6° | 46.0° |
| C30 | C28 | C27 | C36 | 112.5° | 133.7° |
| C28 | C30 | C31 | O32 | 21.0° | 180.0° |
| C30 | C28 | C27 | C34 | 118.0° | 118.2° |
| C30 | C28 | C27 | H18 | 121.7° | 123.6° |
| C30 | C28 | C34 | O35 | 104.6° | 143.6° |
| C30 | C28 | C34 | H18 | 126.1° | 123.6° |
| C28 | C30 | H26 | H27 | 117.9° | 120.0° |
| C30 | C28 | C34 | H29 | 136.2° | 25.2° |
| C30 | C28 | C34 | H30 | 14.6° | 98.0° |
| C26 | C27 | C36 | C28 | 179.2° | 179.7° |
| C26 | C27 | C36 | O35 | 179.3° | 179.3° |
| C26 | C27 | C28 | C34 | 175.4° | 164.2° |
| C26 | C27 | C28 | H18 | 55.1° | 77.6° |
| C27 | C26 | C25 | H25 | 179.6° | 179.9° |
| C27 | C36 | O35 | C34 | 6.0° | 19.0° |
| C36 | C27 | C28 | C34 | 5.5° | 15.5° |
| C36 | C27 | C26 | H17 | 179.3° | 179.8° |
| C36 | C27 | C28 | H18 | 125.8° | 102.7° |
| C27 | C36 | C37 | H31 | 179.1° | 179.6° |
| O35 | C36 | C27 | C28 | 0.1° | 1.0° |
| C36 | O35 | C34 | C28 | 9.1° | 27.7° |
| C36 | O35 | C34 | H29 | 110.1° | 90.6° |
| C36 | O35 | C34 | H30 | 128.2° | 146.1° |
| O35 | C36 | C37 | H31 | 0.6° | 0.7° |
| O32 | C31 | C30 | H26 | 99.7° | 60.1° |
| O32 | C31 | C30 | H27 | 141.7° | 59.9° |
| C27 | C28 | C34 | O35 | 8.5° | 25.3° |
| C27 | C28 | C34 | H18 | 120.8° | 118.1° |
| C28 | C27 | C26 | H17 | 0.3° | 0.5° |
| C27 | C28 | C30 | H26 | 40.9° | 59.1° |
| C27 | C28 | C30 | H27 | 77.7° | 60.9° |
| C27 | C28 | C34 | H29 | 110.7° | 93.0° |
| C27 | C28 | C34 | H30 | 127.7° | 143.8° |
| O5 | C6 | C7 | H1 | 119.9° | 120.0° |
| O5 | C6 | C7 | H2 | 119.9° | 120.0° |
| O5 | C6 | C7 | C8 | 97.9° | 180.0° |
| O5 | C6 | H1 | H2 | 120.3° | 120.0° |
| O5 | C6 | C7 | H3 | 142.3° | 60.0° |
| O5 | C6 | C7 | H4 | 21.8° | 59.9° |
| O35 | C34 | C28 | H29 | 119.2° | 118.3° |
| O35 | C34 | C28 | H30 | 119.2° | 118.5° |
| O35 | C34 | C28 | H18 | 129.3° | 92.8° |
| O35 | C34 | H29 | H30 | 122.4° | 123.4° |
| C6 | C7 | C8 | H3 | 119.7° | 120.0° |
| C6 | C7 | C8 | H4 | 119.7° | 120.1° |
| C6 | C7 | C8 | S9 | 148.7° | 180.0° |
| C7 | C6 | H1 | H2 | 120.4° | 120.0° |
| C6 | C7 | H3 | H4 | 120.8° | 120.1° |
| C6 | C7 | C8 | H5 | 28.3° | 60.0° |
| C6 | C7 | C8 | H6 | 90.9° | 60.0° |
| C34 | C28 | C30 | H26 | 153.1° | 53.5° |
| C34 | C28 | C30 | H27 | 34.5° | 173.6° |
| C28 | C34 | H29 | H30 | 122.4° | 123.2° |
| C7 | C8 | S9 | C10 | 55.2° | 180.0° |
| C7 | C8 | S9 | H5 | 120.4° | 120.0° |
| C7 | C8 | S9 | H6 | 120.4° | 120.0° |
| C7 | C8 | S9 | O11 | 60.6° | 65.5° |
| C7 | C8 | S9 | O12 | 169.8° | 65.5° |
| C8 | C7 | C6 | H1 | 21.9° | 60.0° |
| C8 | C7 | C6 | H2 | 142.2° | 60.0° |
| C8 | C7 | H3 | H4 | 120.8° | 119.9° |
| C7 | C8 | H5 | H6 | 118.8° | 120.0° |
| C10 | S9 | C8 | O11 | 115.8° | 114.5° |
| C10 | S9 | C8 | O12 | 114.6° | 114.5° |
| C10 | S9 | O11 | O12 | 125.4° | 125.0° |
| C10 | S9 | C8 | H5 | 175.6° | 60.1° |
| C10 | S9 | C8 | H6 | 65.2° | 60.0° |
| S9 | C10 | H7 | H8 | 120.0° | 120.0° |
| S9 | C10 | H7 | H9 | 120.0° | 120.0° |
| S9 | C10 | H8 | H9 | 119.9° | 120.0° |
| C8 | S9 | O11 | O12 | 122.5° | 125.0° |
| S9 | C8 | C7 | H3 | 91.6° | 60.0° |
| S9 | C8 | C7 | H4 | 29.0° | 59.9° |
| S9 | C8 | H5 | H6 | 118.8° | 120.1° |
| C8 | S9 | C10 | H7 | 180.0° | 60.0° |
| C8 | S9 | C10 | H8 | 60.0° | 180.0° |
| C8 | S9 | C10 | H9 | 60.0° | 60.0° |
| O11 | S9 | C8 | H5 | 59.8° | 174.5° |
| O11 | S9 | C8 | H6 | 179.0° | 54.5° |
| O11 | S9 | C10 | H7 | 63.6° | 54.5° |
| O11 | S9 | C10 | H8 | 176.4° | 65.5° |
| O11 | S9 | C10 | H9 | 56.4° | 174.5° |
| O12 | S9 | C8 | H5 | 69.8° | 54.4° |
| O12 | S9 | C8 | H6 | 49.4° | 174.5° |
| O12 | S9 | C10 | H7 | 67.3° | 174.5° |
| O12 | S9 | C10 | H8 | 52.7° | 65.5° |
| O12 | S9 | C10 | H9 | 172.7° | 54.5° |
| H1 | C6 | C7 | H3 | 97.8° | 60.0° |
| H1 | C6 | C7 | H4 | 141.7° | 180.0° |
| H2 | C6 | C7 | H3 | 22.4° | 180.0° |
| H2 | C6 | C7 | H4 | 98.1° | 60.0° |
| H3 | C7 | C8 | H5 | 148.0° | 180.0° |
| H3 | C7 | C8 | H6 | 28.8° | 60.0° |
| H4 | C7 | C8 | H5 | 91.4° | 60.1° |
| H4 | C7 | C8 | H6 | 149.3° | 179.9° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C20 | C19 | H24 | 0.4° | 0.3° |
| H17 | C26 | C25 | H25 | 0.4° | 0.2° |
| H18 | C28 | C30 | H26 | 81.0° | 177.2° |
| H18 | C28 | C30 | H27 | 160.3° | 62.7° |
| H18 | C28 | C34 | H29 | 10.1° | 148.9° |
| H18 | C28 | C34 | H30 | 111.5° | 25.7° |
| H19 | C1 | H20 | H21 | 120.0° | 120.1° |
| H23 | C18 | C19 | H24 | 0.1° | 0.0° |
