1XC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F46 | C45 | sing | 1.35Å | 1.35Å | |
| C45 | C44 | doub | 1.39Å | 1.39Å | Aromatic |
| C45 | C47 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| O43 | S5 | doub | 1.42Å | 1.42Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | S5 | sing | 1.76Å | 1.76Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.35Å | |
| S5 | O6 | doub | 1.42Å | 1.42Å | |
| S5 | C7 | sing | 1.76Å | 1.77Å | |
| C12 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| O42 | C15 | doub | 1.22Å | 1.21Å | |
| N14 | C15 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | sing | 1.48Å | 1.47Å | |
| C16 | C41 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| C41 | C40 | doub | 1.36Å | 1.35Å | Aromatic |
| C17 | N18 | sing | 1.36Å | 1.36Å | Aromatic |
| C40 | C39 | sing | 1.41Å | 1.41Å | Aromatic |
| N18 | C39 | sing | 1.37Å | 1.37Å | Aromatic |
| N18 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| C39 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| O25 | C24 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | doub | 1.35Å | 1.35Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| N21 | C20 | sing | 1.34Å | 1.34Å | Aromatic |
| C24 | C22 | sing | 1.54Å | 1.55Å | |
| C24 | C27 | sing | 1.54Å | 1.53Å | |
| C22 | O38 | sing | 1.44Å | 1.45Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C30 | sing | 1.54Å | 1.54Å | |
| O38 | C30 | sing | 1.44Å | 1.45Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| O32 | C31 | sing | 1.43Å | 1.43Å | |
| O32 | P33 | sing | 1.61Å | 1.61Å | |
| O36 | P33 | doub | 1.48Å | 1.57Å | |
| P33 | O35 | sing | 1.61Å | 1.56Å | |
| P33 | O34 | sing | 1.61Å | 1.56Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| O25 | H14 | sing | 0.97Å | 0.95Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| O34 | H20 | sing | 0.97Å | 0.95Å | |
| O35 | H21 | sing | 0.97Å | 0.95Å | |
| C40 | H22 | sing | 1.08Å | 1.08Å | |
| C41 | H23 | sing | 1.08Å | 1.08Å | |
| C44 | H24 | sing | 1.08Å | 1.08Å | |
| C47 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F46 | C45 | C44 | 120.1° | 120.0° |
| F46 | C45 | C47 | 119.5° | 120.0° |
| C44 | C45 | C47 | 120.4° | 120.0° |
| C45 | C44 | C4 | 119.5° | 120.0° |
| C45 | C44 | H24 | 120.2° | 120.0° |
| C45 | C47 | C2 | 120.1° | 120.0° |
| C45 | C47 | H25 | 120.0° | 120.0° |
| C44 | C4 | C3 | 120.0° | 120.1° |
| C44 | C4 | S5 | 121.6° | 119.9° |
| C4 | C44 | H24 | 120.2° | 120.0° |
| C47 | C2 | C3 | 119.6° | 120.0° |
| C47 | C2 | F1 | 120.3° | 120.0° |
| C2 | C47 | H25 | 120.0° | 120.0° |
| O43 | S5 | C4 | 108.6° | 106.4° |
| O43 | S5 | O6 | 123.4° | 123.2° |
| O43 | S5 | C7 | 109.7° | 106.4° |
| C3 | C4 | S5 | 118.4° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C4 | C3 | H8 | 119.8° | 120.0° |
| C4 | S5 | O6 | 106.8° | 106.4° |
| C4 | S5 | C7 | 96.7° | 107.2° |
| C3 | C2 | F1 | 120.1° | 120.0° |
| C2 | C3 | H8 | 119.8° | 120.0° |
| O6 | S5 | C7 | 108.4° | 106.4° |
| S5 | C7 | C12 | 121.2° | 120.0° |
| S5 | C7 | C8 | 119.6° | 120.0° |
| C7 | C12 | C11 | 120.0° | 120.0° |
| C12 | C7 | C8 | 119.1° | 120.0° |
| C7 | C12 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | H10 | 119.7° | 120.0° |
| C11 | C12 | H11 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C7 | C8 | H1 | 119.6° | 120.0° |
| C11 | C10 | C9 | 119.5° | 120.0° |
| C11 | C10 | C13 | 120.4° | 120.0° |
| C10 | C11 | H10 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H1 | 119.6° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | C13 | 120.1° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C10 | C13 | N14 | 113.8° | 109.4° |
| C10 | C13 | H2 | 108.3° | 109.5° |
| C10 | C13 | H3 | 108.4° | 109.5° |
| C13 | N14 | C15 | 119.6° | 120.0° |
| N14 | C13 | H2 | 108.4° | 109.5° |
| N14 | C13 | H3 | 108.4° | 109.5° |
| C13 | N14 | H12 | 120.2° | 120.0° |
| O42 | C15 | N14 | 120.0° | 120.0° |
| O42 | C15 | C16 | 119.6° | 120.0° |
| N14 | C15 | C16 | 120.5° | 120.0° |
| C15 | N14 | H12 | 120.2° | 120.0° |
| C15 | C16 | C41 | 118.7° | 120.0° |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C41 | C16 | C17 | 120.3° | 120.0° |
| C16 | C41 | C40 | 119.2° | 119.5° |
| C16 | C41 | H23 | 120.4° | 120.2° |
| C16 | C17 | N18 | 120.2° | 120.5° |
| C16 | C17 | H4 | 119.9° | 119.8° |
| C41 | C40 | C39 | 119.8° | 119.6° |
| C41 | C40 | H22 | 120.1° | 120.2° |
| C40 | C41 | H23 | 120.4° | 120.3° |
| C17 | N18 | C39 | 120.4° | 120.6° |
| C17 | N18 | C19 | 132.9° | 132.4° |
| N18 | C17 | H4 | 119.9° | 119.7° |
| C40 | C39 | N18 | 120.0° | 119.9° |
| C40 | C39 | N21 | 132.0° | 132.2° |
| C39 | C40 | H22 | 120.1° | 120.3° |
| C39 | N18 | C19 | 106.7° | 107.0° |
| N18 | C39 | N21 | 108.0° | 108.0° |
| N18 | C19 | C20 | 107.3° | 107.1° |
| N18 | C19 | H13 | 126.3° | 126.4° |
| C39 | N21 | C22 | 124.8° | 125.3° |
| C39 | N21 | C20 | 109.3° | 109.2° |
| O25 | C24 | C22 | 111.2° | 110.5° |
| O25 | C24 | C27 | 109.5° | 110.5° |
| O25 | C24 | H7 | 112.4° | 110.5° |
| C24 | O25 | H14 | 109.5° | 114.0° |
| C19 | C20 | N21 | 108.6° | 108.7° |
| C19 | C20 | H5 | 125.7° | 125.6° |
| C20 | C19 | H13 | 126.3° | 126.5° |
| C22 | N21 | C20 | 125.9° | 125.4° |
| N21 | C22 | C24 | 108.7° | 110.5° |
| N21 | C22 | O38 | 110.8° | 110.3° |
| N21 | C22 | H6 | 110.7° | 110.3° |
| N21 | C20 | H5 | 125.7° | 125.7° |
| C22 | C24 | C27 | 101.6° | 104.1° |
| C24 | C22 | O38 | 106.0° | 104.8° |
| C24 | C22 | H6 | 109.6° | 110.4° |
| C22 | C24 | H7 | 110.6° | 110.5° |
| C24 | C27 | O28 | 109.1° | 110.5° |
| C24 | C27 | C30 | 101.0° | 104.0° |
| C27 | C24 | H7 | 110.9° | 110.5° |
| C24 | C27 | H15 | 111.0° | 110.5° |
| C22 | O38 | C30 | 109.0° | 105.3° |
| O38 | C22 | H6 | 110.9° | 110.4° |
| O28 | C27 | C30 | 111.8° | 110.5° |
| O28 | C27 | H15 | 112.6° | 110.6° |
| C27 | O28 | H16 | 109.5° | 114.0° |
| C27 | C30 | O38 | 106.3° | 104.8° |
| C27 | C30 | C31 | 110.2° | 110.4° |
| C30 | C27 | H15 | 110.8° | 110.5° |
| C27 | C30 | H17 | 109.8° | 110.3° |
| O38 | C30 | C31 | 109.4° | 110.4° |
| O38 | C30 | H17 | 111.1° | 110.5° |
| C30 | C31 | O32 | 109.8° | 109.5° |
| C31 | C30 | H17 | 110.0° | 110.3° |
| C30 | C31 | H18 | 109.4° | 109.5° |
| C30 | C31 | H19 | 109.4° | 109.5° |
| C31 | O32 | P33 | 123.1° | 123.0° |
| O32 | C31 | H18 | 109.4° | 109.5° |
| O32 | C31 | H19 | 109.4° | 109.5° |
| O32 | P33 | O36 | 110.1° | 109.5° |
| O32 | P33 | O35 | 108.6° | 109.5° |
| O32 | P33 | O34 | 108.4° | 109.5° |
| O36 | P33 | O35 | 109.8° | 109.5° |
| O36 | P33 | O34 | 108.4° | 109.5° |
| O35 | P33 | O34 | 111.5° | 109.5° |
| P33 | O35 | H21 | 109.5° | 114.0° |
| P33 | O34 | H20 | 109.5° | 114.0° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F46 | C45 | C44 | C47 | 179.9° | 179.9° |
| F46 | C45 | C44 | C4 | 179.5° | 180.0° |
| F46 | C45 | C47 | C2 | 179.9° | 179.8° |
| F46 | C45 | C44 | H24 | 0.5° | 0.0° |
| F46 | C45 | C47 | H25 | 0.1° | 0.0° |
| C45 | C44 | C4 | H24 | 180.0° | 180.0° |
| C44 | C45 | C47 | C2 | 0.0° | 0.3° |
| C45 | C44 | C4 | C3 | 1.2° | 0.1° |
| C45 | C44 | C4 | S5 | 178.9° | 179.8° |
| C44 | C45 | C47 | H25 | 179.9° | 179.9° |
| C47 | C45 | C44 | C4 | 0.5° | 0.1° |
| C45 | C47 | C2 | H25 | 180.0° | 179.8° |
| C45 | C47 | C2 | C3 | 0.0° | 0.5° |
| C45 | C47 | C2 | F1 | 179.8° | 179.9° |
| C47 | C45 | C44 | H24 | 179.5° | 180.0° |
| C44 | C4 | S5 | O43 | 4.7° | 156.8° |
| C44 | C4 | C3 | S5 | 177.9° | 179.7° |
| C44 | C4 | C3 | C2 | 1.2° | 0.3° |
| C44 | C4 | S5 | O6 | 139.8° | 23.8° |
| C44 | C4 | S5 | C7 | 108.7° | 89.7° |
| C44 | C4 | C3 | H8 | 178.8° | 179.8° |
| C47 | C2 | C3 | C4 | 0.6° | 0.5° |
| C47 | C2 | C3 | F1 | 179.8° | 179.5° |
| C47 | C2 | C3 | H8 | 179.4° | 179.5° |
| O43 | S5 | C4 | C3 | 177.5° | 23.5° |
| O43 | S5 | C4 | O6 | 135.1° | 132.9° |
| O43 | S5 | C4 | C7 | 113.4° | 113.5° |
| O43 | S5 | O6 | C7 | 130.1° | 122.9° |
| O43 | S5 | C7 | C12 | 23.7° | 23.8° |
| O43 | S5 | C7 | C8 | 159.1° | 156.5° |
| C4 | C3 | C2 | H8 | 180.0° | 180.0° |
| C4 | C3 | C2 | F1 | 179.5° | 179.9° |
| C3 | C4 | S5 | O6 | 42.4° | 156.4° |
| C3 | C4 | S5 | C7 | 69.1° | 90.0° |
| C3 | C4 | C44 | H24 | 178.8° | 180.0° |
| S5 | C4 | C3 | C2 | 179.1° | 180.0° |
| C4 | S5 | O6 | C7 | 103.2° | 114.1° |
| C4 | S5 | C7 | C12 | 88.8° | 89.7° |
| C4 | S5 | C7 | C8 | 88.4° | 90.0° |
| S5 | C4 | C3 | H8 | 0.9° | 0.0° |
| S5 | C4 | C44 | H24 | 1.0° | 0.3° |
| C3 | C2 | C47 | H25 | 180.0° | 179.7° |
| F1 | C2 | C3 | H8 | 0.5° | 0.1° |
| F1 | C2 | C47 | H25 | 0.2° | 0.3° |
| O6 | S5 | C7 | C12 | 161.0° | 156.7° |
| O6 | S5 | C7 | C8 | 21.8° | 23.6° |
| S5 | C7 | C12 | C8 | 177.2° | 179.7° |
| S5 | C7 | C12 | C11 | 178.6° | 179.7° |
| S5 | C7 | C8 | C9 | 178.6° | 180.0° |
| S5 | C7 | C8 | H1 | 1.4° | 0.1° |
| S5 | C7 | C12 | H11 | 1.4° | 0.3° |
| C7 | C12 | C11 | H11 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 0.6° | 0.6° |
| C12 | C7 | C8 | C9 | 1.3° | 0.3° |
| C12 | C7 | C8 | H1 | 178.7° | 179.7° |
| C7 | C12 | C11 | H10 | 179.4° | 179.7° |
| C11 | C12 | C7 | C8 | 1.4° | 0.0° |
| C12 | C11 | C10 | H10 | 180.0° | 179.1° |
| C12 | C11 | C10 | C9 | 0.5° | 0.9° |
| C12 | C11 | C10 | C13 | 179.1° | 179.8° |
| C7 | C8 | C9 | H1 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | H9 | 179.8° | 179.9° |
| C8 | C7 | C12 | H11 | 178.6° | 179.9° |
| C11 | C10 | C9 | C8 | 0.6° | 0.7° |
| C11 | C10 | C9 | C13 | 178.7° | 179.3° |
| C11 | C10 | C13 | N14 | 120.3° | 90.7° |
| C11 | C10 | C13 | H2 | 119.0° | 29.3° |
| C11 | C10 | C13 | H3 | 0.3° | 149.3° |
| C11 | C10 | C9 | H9 | 179.4° | 179.3° |
| C10 | C11 | C12 | H11 | 179.5° | 179.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C13 | 179.3° | 180.0° |
| C9 | C10 | C13 | N14 | 61.0° | 90.0° |
| C10 | C9 | C8 | H1 | 179.7° | 180.0° |
| C9 | C10 | C13 | H2 | 59.6° | 150.0° |
| C9 | C10 | C13 | H3 | 178.3° | 29.9° |
| C9 | C10 | C11 | H10 | 179.5° | 180.0° |
| C10 | C13 | N14 | H2 | 120.6° | 120.0° |
| C10 | C13 | N14 | H3 | 120.7° | 120.0° |
| C10 | C13 | N14 | C15 | 70.9° | 180.0° |
| C10 | C13 | H2 | H3 | 118.0° | 120.0° |
| C13 | C10 | C9 | H9 | 0.7° | 0.1° |
| C13 | C10 | C11 | H10 | 0.8° | 0.7° |
| C10 | C13 | N14 | H12 | 109.1° | 0.1° |
| C13 | N14 | C15 | O42 | 1.5° | 0.0° |
| C13 | N14 | C15 | H12 | 180.0° | 179.9° |
| C13 | N14 | C15 | C16 | 180.0° | 180.0° |
| N14 | C13 | H2 | H3 | 118.0° | 120.0° |
| O42 | C15 | N14 | C16 | 178.5° | 180.0° |
| O42 | C15 | C16 | C41 | 2.5° | 180.0° |
| O42 | C15 | C16 | C17 | 177.3° | 0.0° |
| O42 | C15 | N14 | H12 | 178.5° | 180.0° |
| N14 | C15 | C16 | C41 | 179.0° | 0.0° |
| N14 | C15 | C16 | C17 | 1.2° | 180.0° |
| C15 | N14 | C13 | H2 | 168.5° | 60.0° |
| C15 | N14 | C13 | H3 | 49.7° | 60.0° |
| C15 | C16 | C41 | C17 | 179.8° | 180.0° |
| C15 | C16 | C41 | C40 | 179.3° | 179.4° |
| C15 | C16 | C17 | N18 | 179.2° | 180.0° |
| C15 | C16 | C17 | H4 | 0.8° | 0.3° |
| C16 | C15 | N14 | H12 | 0.0° | 0.0° |
| C15 | C16 | C41 | H23 | 0.7° | 0.0° |
| C16 | C41 | C40 | H23 | 180.0° | 179.4° |
| C41 | C16 | C17 | N18 | 0.6° | 0.0° |
| C16 | C41 | C40 | C39 | 0.1° | 0.8° |
| C41 | C16 | C17 | H4 | 179.4° | 179.7° |
| C16 | C41 | C40 | H22 | 179.9° | 179.8° |
| C17 | C16 | C41 | C40 | 0.5° | 0.6° |
| C16 | C17 | N18 | H4 | 180.0° | 179.7° |
| C16 | C17 | N18 | C39 | 0.1° | 0.3° |
| C16 | C17 | N18 | C19 | 179.1° | 179.7° |
| C17 | C16 | C41 | H23 | 179.5° | 179.9° |
| C41 | C40 | C39 | H22 | 180.0° | 179.4° |
| C41 | C40 | C39 | N18 | 0.6° | 0.6° |
| C41 | C40 | C39 | N21 | 179.7° | 179.4° |
| C17 | N18 | C39 | C40 | 0.5° | 0.0° |
| C17 | N18 | C39 | C19 | 179.4° | 180.0° |
| C17 | N18 | C39 | N21 | 179.7° | 180.0° |
| C17 | N18 | C19 | C20 | 179.3° | 180.0° |
| C17 | N18 | C19 | H13 | 0.7° | 0.0° |
| C40 | C39 | N18 | N21 | 179.8° | 180.0° |
| C40 | C39 | N18 | C19 | 179.9° | 180.0° |
| C40 | C39 | N21 | C22 | 1.1° | 0.1° |
| C40 | C39 | N21 | C20 | 179.8° | 180.0° |
| C39 | C40 | C41 | H23 | 179.9° | 179.8° |
| C39 | N18 | C19 | C20 | 0.1° | 0.0° |
| N18 | C39 | N21 | C22 | 179.2° | 180.0° |
| N18 | C39 | N21 | C20 | 0.5° | 0.0° |
| C39 | N18 | C17 | H4 | 179.9° | 180.0° |
| C39 | N18 | C19 | H13 | 180.0° | 180.0° |
| N18 | C39 | C40 | H22 | 179.3° | 180.0° |
| C19 | N18 | C39 | N21 | 0.3° | 0.0° |
| N18 | C19 | C20 | H13 | 180.0° | 180.0° |
| N18 | C19 | C20 | N21 | 0.2° | 0.1° |
| C19 | N18 | C17 | H4 | 0.9° | 0.0° |
| N18 | C19 | C20 | H5 | 179.8° | 180.0° |
| C39 | N21 | C20 | C19 | 0.4° | 0.1° |
| C39 | N21 | C22 | C20 | 178.5° | 179.9° |
| C39 | N21 | C22 | C24 | 74.5° | 88.1° |
| C39 | N21 | C22 | O38 | 169.4° | 156.5° |
| C39 | N21 | C20 | H5 | 179.6° | 180.0° |
| C39 | N21 | C22 | H6 | 45.9° | 34.3° |
| N21 | C39 | C40 | H22 | 0.3° | 0.0° |
| O25 | C24 | C22 | N21 | 91.6° | 98.5° |
| O25 | C24 | C22 | C27 | 116.5° | 118.7° |
| O25 | C24 | C22 | H7 | 125.7° | 122.7° |
| O25 | C24 | C27 | H7 | 124.7° | 122.7° |
| O25 | C24 | C22 | O38 | 149.2° | 142.7° |
| O25 | C24 | C27 | O28 | 38.8° | 0.0° |
| O25 | C24 | C27 | C30 | 156.7° | 118.7° |
| O25 | C24 | C22 | H6 | 29.4° | 23.8° |
| O25 | C24 | C27 | H15 | 85.8° | 122.7° |
| C19 | C20 | N21 | C22 | 179.1° | 180.0° |
| C19 | C20 | N21 | H5 | 180.0° | 179.9° |
| N21 | C22 | C24 | O38 | 119.1° | 118.9° |
| N21 | C22 | C24 | H6 | 121.1° | 122.3° |
| N21 | C22 | C24 | C27 | 151.9° | 142.9° |
| N21 | C22 | O38 | H6 | 123.3° | 122.2° |
| N21 | C22 | O38 | C30 | 130.0° | 159.5° |
| C22 | N21 | C20 | H5 | 0.9° | 0.1° |
| N21 | C22 | C24 | H7 | 34.1° | 24.2° |
| C20 | N21 | C22 | C24 | 104.0° | 91.8° |
| C20 | N21 | C22 | O38 | 12.1° | 23.6° |
| C20 | N21 | C22 | H6 | 135.6° | 145.8° |
| N21 | C20 | C19 | H13 | 179.8° | 180.0° |
| C22 | C24 | C27 | H7 | 117.6° | 118.6° |
| C24 | C22 | O38 | H6 | 118.9° | 118.9° |
| C22 | C24 | C27 | O28 | 78.9° | 118.7° |
| C22 | C24 | C27 | C30 | 39.0° | 0.0° |
| C24 | C22 | O38 | C30 | 12.2° | 40.5° |
| C22 | C24 | O25 | H14 | 180.0° | 180.0° |
| C22 | C24 | C27 | H15 | 156.5° | 118.6° |
| C27 | C24 | C22 | O38 | 32.7° | 24.0° |
| C24 | C27 | O28 | C30 | 110.8° | 114.6° |
| C24 | C27 | O28 | H15 | 123.7° | 122.7° |
| C24 | C27 | C30 | H15 | 117.6° | 118.6° |
| C24 | C27 | C30 | O38 | 33.2° | 24.0° |
| C24 | C27 | C30 | C31 | 85.2° | 142.8° |
| C27 | C24 | C22 | H6 | 87.1° | 94.9° |
| C27 | C24 | O25 | H14 | 68.4° | 65.3° |
| C24 | C27 | O28 | H16 | 180.0° | 61.5° |
| C24 | C27 | C30 | H17 | 153.5° | 95.0° |
| C22 | O38 | C30 | C27 | 13.3° | 40.5° |
| C22 | O38 | C30 | C31 | 105.6° | 159.3° |
| O38 | C22 | C24 | H7 | 85.0° | 94.7° |
| C22 | O38 | C30 | H17 | 132.7° | 78.4° |
| O28 | C27 | C30 | H15 | 126.5° | 122.7° |
| O28 | C27 | C30 | O38 | 82.7° | 142.6° |
| O28 | C27 | C30 | C31 | 158.9° | 98.5° |
| O28 | C27 | C24 | H7 | 163.5° | 122.7° |
| O28 | C27 | C30 | H17 | 37.6° | 23.6° |
| C27 | C30 | O38 | C31 | 118.9° | 118.8° |
| C27 | C30 | O38 | H17 | 119.5° | 118.9° |
| C27 | C30 | C31 | H17 | 121.2° | 122.2° |
| C27 | C30 | C31 | O32 | 30.4° | 175.0° |
| C30 | C27 | C24 | H7 | 78.6° | 118.6° |
| C30 | C27 | O28 | H16 | 69.2° | 176.1° |
| C27 | C30 | C31 | H18 | 89.6° | 55.0° |
| C27 | C30 | C31 | H19 | 150.5° | 65.0° |
| O38 | C30 | C31 | H17 | 122.3° | 122.4° |
| O38 | C30 | C31 | O32 | 146.9° | 69.6° |
| C30 | O38 | C22 | H6 | 106.7° | 78.4° |
| O38 | C30 | C27 | H15 | 150.8° | 94.6° |
| O38 | C30 | C31 | H18 | 26.9° | 170.4° |
| O38 | C30 | C31 | H19 | 93.0° | 50.4° |
| C30 | C31 | O32 | H18 | 120.0° | 120.0° |
| C30 | C31 | O32 | H19 | 120.1° | 120.0° |
| C30 | C31 | O32 | P33 | 110.9° | 180.0° |
| C31 | C30 | C27 | H15 | 32.4° | 24.2° |
| C30 | C31 | H18 | H19 | 119.8° | 120.0° |
| C31 | O32 | P33 | O36 | 175.1° | 55.0° |
| C31 | O32 | P33 | O35 | 64.7° | 65.0° |
| C31 | O32 | P33 | O34 | 56.6° | 175.0° |
| O32 | C31 | C30 | H17 | 90.8° | 52.8° |
| O32 | C31 | H18 | H19 | 119.9° | 120.0° |
| O32 | P33 | O36 | O35 | 119.5° | 120.0° |
| O32 | P33 | O36 | O34 | 118.4° | 120.0° |
| O32 | P33 | O35 | O34 | 119.4° | 120.0° |
| P33 | O32 | C31 | H18 | 129.0° | 60.0° |
| P33 | O32 | C31 | H19 | 9.1° | 60.0° |
| O32 | P33 | O34 | H20 | 119.5° | 180.0° |
| O32 | P33 | O35 | H21 | 120.4° | 60.0° |
| O36 | P33 | O35 | O34 | 120.2° | 120.0° |
| O36 | P33 | O34 | H20 | 0.0° | 60.0° |
| O36 | P33 | O35 | H21 | 0.0° | 180.0° |
| O35 | P33 | O34 | H20 | 121.0° | 60.0° |
| O34 | P33 | O35 | H21 | 120.2° | 60.0° |
| H1 | C8 | C9 | H9 | 0.3° | 0.0° |
| H2 | C13 | N14 | H12 | 11.5° | 120.0° |
| H3 | C13 | N14 | H12 | 130.3° | 120.1° |
| H5 | C20 | C19 | H13 | 0.2° | 0.1° |
| H6 | C22 | C24 | H7 | 155.2° | 146.5° |
| H7 | C24 | O25 | H14 | 55.3° | 57.3° |
| H7 | C24 | C27 | H15 | 38.9° | 0.0° |
| H10 | C11 | C12 | H11 | 0.5° | 0.3° |
| H15 | C27 | O28 | H16 | 56.3° | 61.2° |
| H15 | C27 | C30 | H17 | 88.8° | 146.4° |
| H17 | C30 | C31 | H18 | 149.2° | 67.2° |
| H17 | C30 | C31 | H19 | 29.3° | 172.8° |
| H22 | C40 | C41 | H23 | 0.1° | 0.4° |
