8QW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| F40 | C36 | sing | 1.35Å | 1.32Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C34 | doub | 1.39Å | 1.36Å | Aromatic |
| N23 | C20 | sing | 1.40Å | 1.39Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C26 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N8 | doub | 1.33Å | 1.37Å | Aromatic |
| C1 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.51Å | |
| C4 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| N8 | C9 | sing | 1.33Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C25 | C39 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | O33 | doub | 1.21Å | 1.22Å | |
| N5 | C6 | sing | 1.36Å | 1.34Å | Aromatic |
| N5 | N7 | sing | 1.40Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | N7 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | N11 | sing | 1.39Å | 1.37Å | |
| N11 | C12 | sing | 1.40Å | 1.36Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| O31 | C16 | sing | 1.36Å | 1.37Å | |
| C12 | C16 | doub | 1.39Å | 1.49Å | Aromatic |
| C12 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | S27 | sing | 1.76Å | 1.61Å | |
| S27 | O29 | doub | 1.42Å | 1.42Å | |
| S27 | C30 | sing | 1.81Å | 1.66Å | |
| S27 | O28 | doub | 1.42Å | 1.45Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C38 | H5 | sing | 1.08Å | 1.08Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| C34 | H7 | sing | 1.08Å | 1.08Å | |
| C35 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| N23 | H13 | sing | 0.97Å | 1.00Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| N11 | H19 | sing | 0.97Å | 1.00Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C38 | C36 | 119.3° | 120.0° |
| C38 | C37 | C26 | 119.1° | 120.0° |
| C37 | C38 | H5 | 120.4° | 120.0° |
| C38 | C37 | H6 | 120.4° | 120.0° |
| C38 | C36 | F40 | 122.2° | 120.0° |
| C38 | C36 | C34 | 121.9° | 120.0° |
| C36 | C38 | H5 | 120.3° | 120.0° |
| C37 | C26 | C25 | 119.6° | 120.0° |
| C37 | C26 | C35 | 119.5° | 120.0° |
| C26 | C37 | H6 | 120.4° | 120.0° |
| C2 | C3 | C1 | 118.9° | 119.5° |
| C3 | C2 | C4 | 121.0° | 119.5° |
| C3 | C2 | H1 | 119.5° | 120.3° |
| C2 | C3 | H18 | 120.6° | 120.2° |
| C3 | C1 | N8 | 134.4° | 132.5° |
| C3 | C1 | N5 | 118.8° | 119.9° |
| C1 | C3 | H18 | 120.6° | 120.3° |
| C2 | C4 | C10 | 122.6° | 120.0° |
| C2 | C4 | C6 | 118.1° | 119.9° |
| C4 | C2 | H1 | 119.5° | 120.3° |
| F40 | C36 | C34 | 115.8° | 120.0° |
| C19 | C18 | C20 | 118.8° | 120.0° |
| C18 | C19 | C10 | 122.3° | 120.0° |
| C18 | C19 | H16 | 118.9° | 120.0° |
| C19 | C18 | H17 | 120.6° | 120.0° |
| C18 | C20 | N23 | 113.3° | 119.9° |
| C18 | C20 | C22 | 120.1° | 120.1° |
| C20 | C18 | H17 | 120.6° | 120.0° |
| C19 | C10 | C4 | 118.4° | 120.1° |
| C19 | C10 | C21 | 118.4° | 119.9° |
| C10 | C19 | H16 | 118.8° | 120.0° |
| C36 | C34 | C35 | 118.5° | 119.9° |
| C36 | C34 | H7 | 120.7° | 120.0° |
| C20 | N23 | C24 | 126.2° | 120.0° |
| N23 | C20 | C22 | 126.6° | 120.0° |
| C20 | N23 | H13 | 116.9° | 120.0° |
| N23 | C24 | C25 | 117.7° | 120.0° |
| N23 | C24 | O33 | 122.9° | 120.0° |
| C24 | N23 | H13 | 116.9° | 120.0° |
| C25 | C26 | C35 | 120.9° | 120.0° |
| C26 | C25 | C24 | 107.9° | 109.5° |
| C26 | C25 | C39 | 115.8° | 109.5° |
| C26 | C25 | H9 | 108.9° | 109.5° |
| C26 | C35 | C34 | 121.5° | 120.1° |
| C26 | C35 | H8 | 119.3° | 120.0° |
| N8 | C1 | N5 | 106.8° | 107.6° |
| C1 | N8 | C9 | 103.5° | 109.6° |
| C1 | N5 | C6 | 124.2° | 120.8° |
| C1 | N5 | N7 | 114.4° | 106.3° |
| C10 | C4 | C6 | 119.2° | 120.0° |
| C4 | C10 | C21 | 123.1° | 120.1° |
| C4 | C6 | N5 | 118.9° | 120.4° |
| C4 | C6 | H2 | 120.6° | 119.8° |
| C10 | C21 | C22 | 120.9° | 120.0° |
| C10 | C21 | H15 | 119.6° | 120.0° |
| C20 | C22 | C21 | 119.4° | 120.0° |
| C20 | C22 | H14 | 120.3° | 120.0° |
| N8 | C9 | N7 | 115.9° | 109.4° |
| N8 | C9 | N11 | 118.2° | 125.3° |
| C24 | C25 | C39 | 107.7° | 109.5° |
| C25 | C24 | O33 | 119.4° | 120.0° |
| C24 | C25 | H9 | 108.3° | 109.5° |
| C39 | C25 | H9 | 108.1° | 109.4° |
| C25 | C39 | H10 | 109.5° | 109.5° |
| C25 | C39 | H11 | 109.5° | 109.5° |
| C25 | C39 | H12 | 109.5° | 109.4° |
| C35 | C34 | H7 | 120.8° | 120.1° |
| C34 | C35 | H8 | 119.2° | 120.0° |
| C6 | N5 | N7 | 121.3° | 132.9° |
| N5 | C6 | H2 | 120.5° | 119.8° |
| N5 | N7 | C9 | 99.4° | 107.1° |
| C21 | C22 | H14 | 120.3° | 120.0° |
| C22 | C21 | H15 | 119.5° | 120.0° |
| N7 | C9 | N11 | 125.8° | 125.3° |
| C9 | N11 | C12 | 127.4° | 120.0° |
| C9 | N11 | H19 | 116.3° | 120.0° |
| N11 | C12 | C16 | 115.2° | 120.1° |
| N11 | C12 | C14 | 125.9° | 120.1° |
| C12 | N11 | H19 | 116.3° | 120.0° |
| C32 | O31 | C16 | 124.8° | 117.0° |
| O31 | C32 | H20 | 109.5° | 109.5° |
| O31 | C32 | H21 | 109.5° | 109.5° |
| O31 | C32 | H22 | 109.4° | 109.5° |
| O31 | C16 | C12 | 117.0° | 120.0° |
| O31 | C16 | C17 | 124.2° | 120.1° |
| C16 | C12 | C14 | 118.7° | 119.8° |
| C12 | C16 | C17 | 118.8° | 119.9° |
| C12 | C14 | C13 | 121.4° | 120.0° |
| C12 | C14 | H4 | 119.3° | 120.0° |
| C16 | C17 | C15 | 120.3° | 120.0° |
| C16 | C17 | H23 | 119.9° | 120.0° |
| C14 | C13 | C15 | 119.2° | 120.2° |
| C14 | C13 | H3 | 120.4° | 119.9° |
| C13 | C14 | H4 | 119.3° | 120.0° |
| C17 | C15 | C13 | 121.6° | 120.1° |
| C17 | C15 | S27 | 116.5° | 119.9° |
| C15 | C17 | H23 | 119.8° | 119.9° |
| C13 | C15 | S27 | 121.9° | 119.9° |
| C15 | C13 | H3 | 120.4° | 119.9° |
| C15 | S27 | O29 | 104.1° | 104.3° |
| C15 | S27 | C30 | 107.7° | 104.4° |
| C15 | S27 | O28 | 114.6° | 104.3° |
| O29 | S27 | C30 | 116.4° | 110.5° |
| O29 | S27 | O28 | 110.3° | 121.0° |
| C30 | S27 | O28 | 104.1° | 110.6° |
| S27 | C30 | H24 | 109.5° | 109.5° |
| S27 | C30 | H25 | 109.5° | 109.5° |
| S27 | C30 | H26 | 109.5° | 109.4° |
| H10 | C39 | H11 | 109.5° | 109.5° |
| H10 | C39 | H12 | 109.5° | 109.5° |
| H11 | C39 | H12 | 109.5° | 109.4° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H20 | C32 | H22 | 109.4° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H26 | 109.4° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C38 | C36 | H5 | 180.0° | 180.0° |
| C38 | C37 | C26 | H6 | 180.0° | 179.9° |
| C37 | C38 | C36 | F40 | 179.4° | 180.0° |
| C37 | C38 | C36 | C34 | 3.5° | 0.2° |
| C38 | C37 | C26 | C25 | 179.2° | 179.9° |
| C38 | C37 | C26 | C35 | 1.8° | 0.3° |
| C36 | C38 | C37 | C26 | 2.2° | 0.0° |
| C38 | C36 | F40 | C34 | 176.1° | 179.8° |
| C38 | C36 | C34 | C35 | 4.1° | 0.2° |
| C36 | C38 | C37 | H6 | 177.8° | 180.0° |
| C38 | C36 | C34 | H7 | 175.9° | 179.8° |
| C37 | C26 | C25 | C35 | 177.4° | 179.8° |
| C37 | C26 | C25 | C24 | 83.2° | 120.0° |
| C37 | C26 | C25 | C39 | 156.1° | 120.0° |
| C37 | C26 | C35 | C34 | 2.5° | 0.2° |
| C26 | C37 | C38 | H5 | 177.8° | 179.9° |
| C37 | C26 | C35 | H8 | 177.5° | 179.8° |
| C37 | C26 | C25 | H9 | 34.1° | 0.1° |
| C2 | C3 | C1 | H18 | 180.0° | 180.0° |
| C3 | C2 | C4 | H1 | 180.0° | 179.6° |
| C2 | C3 | C1 | N8 | 179.7° | 180.0° |
| C2 | C3 | C1 | N5 | 1.4° | 0.4° |
| C3 | C2 | C4 | C10 | 177.3° | 179.6° |
| C3 | C2 | C4 | C6 | 0.6° | 0.4° |
| C1 | C3 | C2 | C4 | 2.5° | 0.0° |
| C3 | C1 | N8 | N5 | 178.5° | 179.7° |
| C3 | C1 | N8 | C9 | 178.1° | 179.7° |
| C3 | C1 | N5 | C6 | 1.7° | 0.4° |
| C3 | C1 | N5 | N7 | 177.0° | 179.8° |
| C1 | C3 | C2 | H1 | 177.5° | 179.6° |
| C2 | C4 | C10 | C19 | 30.4° | 115.0° |
| C2 | C4 | C10 | C6 | 177.9° | 180.0° |
| C2 | C4 | C10 | C21 | 151.4° | 65.0° |
| C2 | C4 | C6 | N5 | 2.3° | 0.4° |
| C2 | C4 | C6 | H2 | 177.6° | 180.0° |
| C4 | C2 | C3 | H18 | 177.5° | 180.0° |
| F40 | C36 | C34 | C35 | 179.7° | 180.0° |
| F40 | C36 | C38 | H5 | 0.6° | 0.0° |
| F40 | C36 | C34 | H7 | 0.3° | 0.0° |
| C19 | C18 | C20 | H17 | 180.0° | 179.5° |
| C18 | C19 | C10 | H16 | 180.0° | 179.8° |
| C19 | C18 | C20 | N23 | 179.9° | 179.8° |
| C18 | C19 | C10 | C4 | 179.5° | 179.8° |
| C18 | C19 | C10 | C21 | 1.2° | 0.2° |
| C19 | C18 | C20 | C22 | 3.1° | 0.5° |
| C20 | C18 | C19 | C10 | 3.0° | 0.5° |
| C18 | C20 | N23 | C22 | 176.8° | 179.8° |
| C18 | C20 | N23 | C24 | 173.5° | 35.9° |
| C18 | C20 | C22 | C21 | 1.4° | 0.2° |
| C18 | C20 | N23 | H13 | 6.5° | 144.1° |
| C18 | C20 | C22 | H14 | 178.6° | 179.8° |
| C20 | C18 | C19 | H16 | 176.9° | 179.7° |
| C19 | C10 | C4 | C21 | 178.2° | 180.0° |
| C19 | C10 | C4 | C6 | 147.6° | 65.0° |
| C19 | C10 | C21 | C22 | 0.6° | 0.0° |
| C19 | C10 | C21 | H15 | 179.4° | 180.0° |
| C10 | C19 | C18 | H17 | 176.9° | 180.0° |
| C36 | C34 | C35 | C26 | 3.7° | 0.0° |
| C36 | C34 | C35 | H7 | 180.0° | 180.0° |
| C34 | C36 | C38 | H5 | 176.5° | 179.8° |
| C36 | C34 | C35 | H8 | 176.3° | 180.0° |
| C20 | N23 | C24 | H13 | 180.0° | 180.0° |
| C20 | N23 | C24 | C25 | 180.0° | 175.4° |
| C20 | N23 | C24 | O33 | 0.6° | 4.6° |
| N23 | C20 | C22 | C21 | 178.0° | 180.0° |
| N23 | C20 | C22 | H14 | 2.0° | 0.0° |
| N23 | C20 | C18 | H17 | 0.2° | 0.2° |
| N23 | C24 | C25 | C26 | 105.2° | 180.0° |
| C24 | N23 | C20 | C22 | 3.3° | 144.3° |
| N23 | C24 | C25 | O33 | 179.5° | 180.0° |
| N23 | C24 | C25 | C39 | 129.1° | 60.0° |
| N23 | C24 | C25 | H9 | 12.5° | 60.0° |
| C26 | C25 | C24 | C39 | 125.7° | 120.0° |
| C26 | C25 | C24 | H9 | 117.7° | 120.0° |
| C26 | C25 | C39 | H9 | 122.4° | 119.9° |
| C25 | C26 | C35 | C34 | 179.9° | 179.9° |
| C26 | C25 | C24 | O33 | 74.2° | 0.0° |
| C25 | C26 | C37 | H6 | 0.8° | 0.0° |
| C25 | C26 | C35 | H8 | 0.1° | 0.0° |
| C26 | C25 | C39 | H10 | 180.0° | 180.0° |
| C26 | C25 | C39 | H11 | 60.0° | 59.9° |
| C26 | C25 | C39 | H12 | 60.0° | 60.0° |
| C35 | C26 | C25 | C24 | 94.2° | 60.2° |
| C35 | C26 | C25 | C39 | 26.5° | 59.8° |
| C26 | C35 | C34 | H8 | 180.0° | 180.0° |
| C35 | C26 | C37 | H6 | 178.2° | 179.8° |
| C26 | C35 | C34 | H7 | 176.4° | 180.0° |
| C35 | C26 | C25 | H9 | 148.5° | 179.8° |
| N8 | C1 | N5 | C6 | 177.0° | 179.9° |
| N8 | C1 | N5 | N7 | 1.7° | 0.0° |
| C1 | N8 | C9 | N7 | 1.0° | 0.0° |
| C1 | N8 | C9 | N11 | 178.2° | 180.0° |
| N8 | C1 | C3 | H18 | 0.3° | 0.0° |
| C1 | N5 | C6 | C4 | 3.6° | 0.0° |
| N5 | C1 | N8 | C9 | 0.4° | 0.0° |
| C1 | N5 | C6 | N7 | 175.0° | 179.8° |
| C1 | N5 | N7 | C9 | 2.2° | 0.0° |
| C1 | N5 | C6 | H2 | 176.4° | 179.7° |
| N5 | C1 | C3 | H18 | 178.6° | 179.7° |
| C10 | C4 | C6 | N5 | 179.6° | 179.6° |
| C4 | C10 | C21 | C22 | 177.6° | 180.0° |
| C10 | C4 | C2 | H1 | 2.7° | 0.0° |
| C10 | C4 | C6 | H2 | 0.4° | 0.1° |
| C4 | C10 | C21 | H15 | 2.4° | 0.0° |
| C4 | C10 | C19 | H16 | 0.5° | 0.1° |
| C6 | C4 | C10 | C21 | 30.7° | 115.0° |
| C4 | C6 | N5 | H2 | 180.0° | 179.7° |
| C4 | C6 | N5 | N7 | 178.7° | 179.8° |
| C6 | C4 | C2 | H1 | 179.4° | 180.0° |
| C10 | C21 | C22 | C20 | 0.4° | 0.0° |
| C10 | C21 | C22 | H15 | 180.0° | 180.0° |
| C10 | C21 | C22 | H14 | 179.5° | 180.0° |
| C21 | C10 | C19 | H16 | 178.8° | 179.9° |
| C20 | C22 | C21 | H14 | 180.0° | 180.0° |
| C22 | C20 | N23 | H13 | 176.7° | 35.7° |
| C20 | C22 | C21 | H15 | 179.6° | 180.0° |
| C22 | C20 | C18 | H17 | 176.9° | 180.0° |
| N8 | C9 | N7 | N5 | 1.9° | 0.0° |
| N8 | C9 | N7 | N11 | 176.9° | 179.9° |
| N8 | C9 | N11 | C12 | 176.4° | 5.7° |
| N8 | C9 | N11 | H19 | 3.6° | 174.3° |
| C24 | C25 | C39 | H9 | 116.8° | 120.0° |
| C24 | C25 | C39 | H10 | 59.2° | 60.0° |
| C24 | C25 | C39 | H11 | 179.2° | 180.0° |
| C24 | C25 | C39 | H12 | 60.8° | 60.1° |
| C25 | C24 | N23 | H13 | 0.0° | 4.6° |
| C39 | C25 | C24 | O33 | 51.5° | 120.0° |
| C25 | C39 | H10 | H11 | 120.0° | 120.0° |
| C25 | C39 | H10 | H12 | 120.0° | 120.0° |
| C25 | C39 | H11 | H12 | 120.0° | 119.9° |
| O33 | C24 | C25 | H9 | 168.1° | 120.0° |
| O33 | C24 | N23 | H13 | 179.4° | 175.4° |
| C6 | N5 | N7 | C9 | 177.6° | 179.9° |
| N5 | N7 | C9 | N11 | 178.8° | 179.9° |
| N7 | N5 | C6 | H2 | 1.3° | 0.1° |
| N7 | C9 | N11 | C12 | 0.4° | 174.3° |
| N7 | C9 | N11 | H19 | 179.5° | 5.8° |
| C9 | N11 | C12 | H19 | 180.0° | 180.0° |
| C9 | N11 | C12 | C16 | 155.4° | 171.2° |
| C9 | N11 | C12 | C14 | 19.9° | 8.6° |
| N11 | C12 | C16 | O31 | 5.6° | 0.3° |
| N11 | C12 | C16 | C14 | 175.6° | 179.8° |
| N11 | C12 | C16 | C17 | 176.5° | 179.7° |
| N11 | C12 | C14 | C13 | 173.8° | 179.7° |
| N11 | C12 | C14 | H4 | 6.2° | 0.2° |
| C32 | O31 | C16 | C12 | 168.2° | 180.0° |
| C32 | O31 | C16 | C17 | 14.1° | 0.0° |
| O31 | C32 | H20 | H21 | 120.0° | 120.0° |
| O31 | C32 | H20 | H22 | 120.0° | 120.0° |
| O31 | C32 | H21 | H22 | 120.0° | 120.0° |
| O31 | C16 | C12 | C17 | 177.9° | 180.0° |
| O31 | C16 | C12 | C14 | 178.8° | 179.9° |
| O31 | C16 | C17 | C15 | 179.1° | 180.0° |
| C16 | O31 | C32 | H20 | 180.0° | 60.0° |
| C16 | O31 | C32 | H21 | 60.0° | 60.0° |
| C16 | O31 | C32 | H22 | 60.0° | 180.0° |
| O31 | C16 | C17 | H23 | 0.9° | 0.0° |
| C16 | C12 | C14 | C13 | 1.3° | 0.1° |
| C12 | C16 | C17 | C15 | 1.4° | 0.0° |
| C16 | C12 | C14 | H4 | 178.7° | 180.0° |
| C16 | C12 | N11 | H19 | 24.6° | 8.8° |
| C12 | C16 | C17 | H23 | 178.6° | 180.0° |
| C14 | C12 | C16 | C17 | 0.9° | 0.0° |
| C12 | C14 | C13 | H4 | 180.0° | 180.0° |
| C12 | C14 | C13 | C15 | 2.9° | 0.1° |
| C12 | C14 | C13 | H3 | 177.1° | 180.0° |
| C14 | C12 | N11 | H19 | 160.1° | 171.4° |
| C16 | C17 | C15 | H23 | 180.0° | 180.0° |
| C16 | C17 | C15 | C13 | 0.2° | 0.0° |
| C16 | C17 | C15 | S27 | 177.9° | 179.9° |
| C14 | C13 | C15 | C17 | 2.4° | 0.0° |
| C14 | C13 | C15 | H3 | 180.0° | 179.9° |
| C14 | C13 | C15 | S27 | 179.9° | 179.9° |
| C17 | C15 | C13 | S27 | 177.5° | 179.9° |
| C17 | C15 | S27 | O29 | 38.0° | 26.0° |
| C17 | C15 | S27 | C30 | 86.1° | 90.0° |
| C17 | C15 | S27 | O28 | 158.6° | 153.9° |
| C17 | C15 | C13 | H3 | 177.6° | 179.9° |
| C13 | C15 | S27 | O29 | 144.3° | 153.9° |
| C13 | C15 | S27 | C30 | 91.6° | 90.0° |
| C13 | C15 | S27 | O28 | 23.7° | 26.0° |
| C15 | C13 | C14 | H4 | 177.1° | 180.0° |
| C13 | C15 | C17 | H23 | 179.7° | 180.0° |
| C15 | S27 | O29 | C30 | 118.3° | 111.7° |
| C15 | S27 | O29 | O28 | 123.4° | 116.7° |
| C15 | S27 | C30 | O28 | 122.1° | 111.6° |
| S27 | C15 | C13 | H3 | 0.1° | 0.0° |
| S27 | C15 | C17 | H23 | 2.1° | 0.1° |
| C15 | S27 | C30 | H24 | 180.0° | 60.0° |
| C15 | S27 | C30 | H25 | 60.0° | 180.0° |
| C15 | S27 | C30 | H26 | 60.0° | 60.0° |
| O29 | S27 | C30 | O28 | 121.6° | 136.7° |
| O29 | S27 | C30 | H24 | 63.7° | 51.6° |
| O29 | S27 | C30 | H25 | 176.3° | 68.4° |
| O29 | S27 | C30 | H26 | 56.3° | 171.7° |
| S27 | C30 | H24 | H25 | 120.0° | 120.0° |
| S27 | C30 | H24 | H26 | 120.0° | 120.0° |
| S27 | C30 | H25 | H26 | 120.0° | 119.9° |
| O28 | S27 | C30 | H24 | 57.9° | 171.6° |
| O28 | S27 | C30 | H25 | 62.1° | 68.3° |
| O28 | S27 | C30 | H26 | 177.9° | 51.6° |
| H1 | C2 | C3 | H18 | 2.5° | 0.4° |
| H3 | C13 | C14 | H4 | 2.9° | 0.1° |
| H5 | C38 | C37 | H6 | 2.2° | 0.0° |
| H7 | C34 | C35 | H8 | 3.6° | 0.0° |
| H9 | C25 | C39 | H10 | 57.6° | 60.0° |
| H9 | C25 | C39 | H11 | 62.4° | 60.0° |
| H9 | C25 | C39 | H12 | 177.6° | 179.9° |
| H10 | C39 | H11 | H12 | 120.0° | 120.0° |
| H14 | C22 | C21 | H15 | 0.5° | 0.0° |
| H16 | C19 | C18 | H17 | 3.1° | 0.2° |
| H20 | C32 | H21 | H22 | 120.0° | 120.0° |
| H24 | C30 | H25 | H26 | 120.0° | 120.1° |
