SFP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.42Å | 1.34Å | Aromatic |
| C1 | C2C | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C2A | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C2A | N2B | sing | 1.38Å | 1.39Å | Aromatic |
| C2A | CA | sing | 1.43Å | 1.41Å | Aromatic |
| N2B | C2C | sing | 1.38Å | 1.38Å | Aromatic |
| N2B | H2B | sing | 1.01Å | 1.02Å | |
| C2C | CD | sing | 1.43Å | 1.39Å | Aromatic |
| CA | C4C | doub | 1.35Å | 1.42Å | Aromatic |
| CA | C28 | sing | 1.48Å | 1.55Å | Aromatic |
| C4C | C3 | sing | 1.45Å | 1.43Å | |
| C4C | N4B | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.33Å | 1.34Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C4A | sing | 1.47Å | 1.43Å | |
| C4 | H4 | sing | 1.07Å | 1.10Å | |
| C4A | N4B | doub | 1.30Å | 1.42Å | Aromatic |
| C4A | CB | sing | 1.49Å | 1.44Å | Aromatic |
| CB | C6C | doub | 1.35Å | 1.43Å | Aromatic |
| CB | C20 | sing | 1.48Å | 1.56Å | Aromatic |
| C6C | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| C6C | N6B | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.34Å | 1.35Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C6A | sing | 1.46Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C6A | N6B | sing | 1.38Å | 1.40Å | Aromatic |
| C6A | CC | doub | 1.35Å | 1.41Å | Aromatic |
| N6B | H6B | sing | 1.01Å | 1.02Å | |
| CC | C8C | sing | 1.50Å | 1.41Å | Aromatic |
| CC | C12 | sing | 1.48Å | 1.56Å | Aromatic |
| C8C | C7 | sing | 1.47Å | 1.41Å | |
| C8C | N8B | doub | 1.30Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C7 | H7 | sing | 1.07Å | 1.10Å | |
| C8 | C8A | sing | 1.45Å | 1.42Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C8A | N8B | sing | 1.38Å | 1.40Å | Aromatic |
| C8A | CD | doub | 1.35Å | 1.43Å | Aromatic |
| CD | C24 | sing | 1.48Å | 1.55Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C9 | S1 | sing | 1.75Å | 1.73Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.39Å | 1.48Å | Aromatic |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | S2 | sing | 1.75Å | 1.75Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.48Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | S3 | sing | 1.75Å | 1.74Å | |
| C22 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.39Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.46Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.46Å | Aromatic |
| C27 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.46Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.39Å | 1.44Å | Aromatic |
| C31 | S4 | sing | 1.75Å | 1.74Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| S1 | O2 | sing | 1.44Å | 1.43Å | |
| S1 | O3 | sing | 1.62Å | 1.41Å | |
| S1 | O4 | sing | 1.62Å | 1.53Å | |
| O3 | HO3 | sing | 0.99Å | 0.95Å | |
| O4 | HO4 | sing | 0.99Å | 0.95Å | |
| S2 | O5 | sing | 1.44Å | 1.44Å | |
| S2 | O6 | sing | 1.62Å | 1.44Å | |
| S2 | O7 | sing | 1.62Å | 1.53Å | |
| O6 | HO6 | sing | 0.99Å | 0.95Å | |
| O7 | HO7 | sing | 0.99Å | 0.95Å | |
| S3 | O8 | sing | 1.44Å | 1.43Å | |
| S3 | O9 | sing | 1.62Å | 1.42Å | |
| S3 | O10 | sing | 1.62Å | 1.52Å | |
| O9 | HO9 | sing | 0.99Å | 0.95Å | |
| O10 | H10 | sing | 0.99Å | 0.95Å | |
| S4 | O11 | sing | 1.62Å | 1.40Å | |
| S4 | O12 | sing | 1.44Å | 1.43Å | |
| S4 | O13 | sing | 1.62Å | 1.51Å | |
| O11 | H11 | sing | 0.99Å | 0.95Å | |
| O13 | H13 | sing | 0.99Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C2C | 108.1° | 107.7° |
| C2 | C1 | H1 | 123.4° | 126.5° |
| C1 | C2 | C2A | 108.6° | 107.7° |
| C1 | C2 | H2 | 123.5° | 126.5° |
| C2C | C1 | H1 | 128.5° | 125.7° |
| C1 | C2C | N2B | 108.1° | 107.2° |
| C1 | C2C | CD | 127.1° | 132.9° |
| C2A | C2 | H2 | 128.0° | 125.8° |
| C2 | C2A | N2B | 107.9° | 107.2° |
| C2 | C2A | CA | 127.3° | 132.9° |
| N2B | C2A | CA | 124.7° | 119.7° |
| C2A | N2B | C2C | 107.2° | 110.1° |
| C2A | N2B | H2B | 126.8° | 125.0° |
| C2A | CA | C4C | 126.7° | 119.9° |
| C2A | CA | C28 | 117.0° | 120.4° |
| C2C | N2B | H2B | 125.9° | 124.9° |
| N2B | C2C | CD | 124.7° | 119.7° |
| C2C | CD | C8A | 126.0° | 119.9° |
| C2C | CD | C24 | 118.8° | 120.4° |
| C4C | CA | C28 | 116.3° | 119.7° |
| CA | C4C | C3 | 126.5° | 127.0° |
| CA | C4C | N4B | 125.8° | 125.7° |
| CA | C28 | C27 | 120.8° | 119.6° |
| CA | C28 | C29 | 118.6° | 119.7° |
| C3 | C4C | N4B | 107.7° | 107.3° |
| C4C | C3 | C4 | 109.0° | 110.9° |
| C4C | C3 | H3 | 128.1° | 125.0° |
| C4C | N4B | C4A | 107.1° | 105.8° |
| C4 | C3 | H3 | 122.9° | 124.1° |
| C3 | C4 | C4A | 108.7° | 101.6° |
| C3 | C4 | H4 | 123.2° | 129.1° |
| C4A | C4 | H4 | 128.1° | 129.3° |
| C4 | C4A | N4B | 107.5° | 114.4° |
| C4 | C4A | CB | 126.8° | 118.6° |
| N4B | C4A | CB | 125.7° | 127.0° |
| C4A | CB | C6C | 125.7° | 119.3° |
| C4A | CB | C20 | 118.5° | 119.7° |
| C6C | CB | C20 | 115.8° | 121.0° |
| CB | C6C | C5 | 126.9° | 125.5° |
| CB | C6C | N6B | 125.7° | 130.2° |
| CB | C20 | C15 | 122.7° | 119.8° |
| CB | C20 | C19 | 117.5° | 119.8° |
| C5 | C6C | N6B | 107.4° | 104.3° |
| C6C | C5 | C6 | 108.8° | 109.2° |
| C6C | C5 | H5 | 127.9° | 125.7° |
| C6C | N6B | C6A | 107.7° | 113.1° |
| C6C | N6B | H6B | 112.9° | 123.4° |
| C6 | C5 | H5 | 123.4° | 125.1° |
| C5 | C6 | C6A | 107.8° | 109.1° |
| C5 | C6 | H6 | 124.5° | 125.1° |
| C6A | C6 | H6 | 127.8° | 125.8° |
| C6 | C6A | N6B | 108.4° | 104.3° |
| C6 | C6A | CC | 126.7° | 125.4° |
| N6B | C6A | CC | 124.9° | 130.3° |
| C6A | N6B | H6B | 112.9° | 123.5° |
| C6A | CC | C8C | 125.7° | 119.3° |
| C6A | CC | C12 | 117.9° | 121.0° |
| C8C | CC | C12 | 116.4° | 119.7° |
| CC | C8C | C7 | 126.0° | 118.6° |
| CC | C8C | N8B | 125.9° | 127.0° |
| CC | C12 | C11 | 115.6° | 119.8° |
| CC | C12 | C13 | 124.1° | 119.8° |
| C7 | C8C | N8B | 108.0° | 114.4° |
| C8C | C7 | C8 | 109.0° | 101.5° |
| C8C | C7 | H7 | 128.4° | 129.4° |
| C8C | N8B | C8A | 106.3° | 105.8° |
| C8 | C7 | H7 | 122.6° | 129.1° |
| C7 | C8 | C8A | 109.0° | 110.9° |
| C7 | C8 | H8 | 122.3° | 124.1° |
| C8A | C8 | H8 | 128.6° | 125.0° |
| C8 | C8A | N8B | 107.7° | 107.3° |
| C8 | C8A | CD | 125.6° | 126.9° |
| N8B | C8A | CD | 126.7° | 125.7° |
| C8A | CD | C24 | 115.2° | 119.7° |
| CD | C24 | C23 | 123.3° | 119.6° |
| CD | C24 | C25 | 116.1° | 119.7° |
| C10 | C9 | C14 | 122.6° | 120.0° |
| C10 | C9 | S1 | 117.7° | 120.0° |
| C9 | C10 | C11 | 118.7° | 120.0° |
| C9 | C10 | H12 | 121.5° | 120.6° |
| C14 | C9 | S1 | 119.7° | 120.0° |
| C9 | C14 | C13 | 119.7° | 120.0° |
| C9 | C14 | H14 | 120.8° | 120.6° |
| C9 | S1 | O2 | 109.2° | 110.6° |
| C9 | S1 | O3 | 106.0° | 107.9° |
| C9 | S1 | O4 | 107.6° | 107.9° |
| C11 | C10 | H12 | 119.8° | 119.4° |
| C10 | C11 | C12 | 120.2° | 119.8° |
| C10 | C11 | H15 | 117.0° | 119.1° |
| C12 | C11 | H15 | 122.7° | 121.1° |
| C11 | C12 | C13 | 120.3° | 120.4° |
| C12 | C13 | C14 | 118.5° | 119.8° |
| C12 | C13 | H9 | 121.4° | 121.1° |
| C14 | C13 | H9 | 120.1° | 119.1° |
| C13 | C14 | H14 | 119.5° | 119.4° |
| C16 | C15 | C20 | 118.8° | 119.8° |
| C16 | C15 | H17 | 119.1° | 119.2° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | H16 | 118.9° | 119.4° |
| C20 | C15 | H17 | 122.1° | 121.0° |
| C15 | C20 | C19 | 119.8° | 120.4° |
| C17 | C16 | H16 | 120.8° | 120.6° |
| C16 | C17 | C18 | 122.3° | 120.0° |
| C16 | C17 | S2 | 118.7° | 120.0° |
| C18 | C17 | S2 | 119.0° | 120.0° |
| C17 | C18 | C19 | 118.7° | 120.0° |
| C17 | C18 | H18 | 121.7° | 120.6° |
| C17 | S2 | O5 | 110.7° | 110.6° |
| C17 | S2 | O6 | 107.3° | 107.9° |
| C17 | S2 | O7 | 105.6° | 107.9° |
| C19 | C18 | H18 | 119.6° | 119.4° |
| C18 | C19 | C20 | 120.3° | 119.8° |
| C18 | C19 | H19 | 117.0° | 119.2° |
| C20 | C19 | H19 | 122.7° | 121.0° |
| C22 | C21 | C26 | 122.2° | 120.0° |
| C22 | C21 | S3 | 119.7° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C21 | C22 | H22 | 121.0° | 120.6° |
| C26 | C21 | S3 | 118.0° | 120.0° |
| C21 | C26 | C25 | 120.1° | 120.0° |
| C21 | C26 | H26 | 121.9° | 120.6° |
| C21 | S3 | O8 | 110.4° | 110.6° |
| C21 | S3 | O9 | 107.0° | 108.0° |
| C21 | S3 | O10 | 106.8° | 107.9° |
| C23 | C22 | H22 | 119.8° | 119.4° |
| C22 | C23 | C24 | 117.9° | 119.6° |
| C22 | C23 | H23 | 119.6° | 119.2° |
| C24 | C23 | H23 | 122.5° | 121.2° |
| C23 | C24 | C25 | 120.5° | 120.7° |
| C24 | C25 | C26 | 120.0° | 119.6° |
| C24 | C25 | H25 | 123.4° | 121.3° |
| C26 | C25 | H25 | 116.6° | 119.1° |
| C25 | C26 | H26 | 118.0° | 119.4° |
| C28 | C27 | C32 | 119.0° | 119.6° |
| C28 | C27 | H27 | 122.1° | 121.2° |
| C27 | C28 | C29 | 120.5° | 120.7° |
| C32 | C27 | H27 | 118.9° | 119.2° |
| C27 | C32 | C31 | 119.3° | 120.0° |
| C27 | C32 | H32 | 119.4° | 119.4° |
| C28 | C29 | C30 | 119.3° | 119.7° |
| C28 | C29 | H29 | 122.0° | 121.2° |
| C30 | C29 | H29 | 118.7° | 119.1° |
| C29 | C30 | C31 | 119.3° | 120.0° |
| C29 | C30 | H30 | 120.2° | 119.5° |
| C31 | C30 | H30 | 120.5° | 120.5° |
| C30 | C31 | C32 | 122.7° | 120.0° |
| C30 | C31 | S4 | 119.2° | 120.0° |
| C32 | C31 | S4 | 118.1° | 120.0° |
| C31 | C32 | H32 | 121.3° | 120.6° |
| C31 | S4 | O11 | 107.5° | 107.9° |
| C31 | S4 | O12 | 109.0° | 110.6° |
| C31 | S4 | O13 | 106.8° | 107.9° |
| O2 | S1 | O3 | 111.0° | 112.3° |
| O2 | S1 | O4 | 112.2° | 112.3° |
| O3 | S1 | O4 | 110.7° | 105.7° |
| S1 | O3 | HO3 | 106.0° | 115.7° |
| S1 | O4 | HO4 | 107.6° | 115.6° |
| O5 | S2 | O6 | 110.7° | 112.3° |
| O5 | S2 | O7 | 110.4° | 112.3° |
| O6 | S2 | O7 | 112.0° | 105.7° |
| S2 | O6 | HO6 | 107.3° | 115.6° |
| S2 | O7 | HO7 | 105.6° | 115.6° |
| O8 | S3 | O9 | 111.2° | 112.2° |
| O8 | S3 | O10 | 110.0° | 112.2° |
| O9 | S3 | O10 | 111.3° | 105.6° |
| S3 | O9 | HO9 | 107.0° | 115.6° |
| S3 | O10 | H10 | 106.9° | 115.6° |
| O11 | S4 | O12 | 110.3° | 112.2° |
| O11 | S4 | O13 | 111.0° | 105.6° |
| S4 | O11 | H11 | 107.5° | 115.6° |
| O12 | S4 | O13 | 112.0° | 112.2° |
| S4 | O13 | H13 | 106.8° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C2C | H1 | 180.0° | 178.6° |
| C1 | C2 | C2A | H2 | 180.0° | 178.7° |
| C1 | C2 | C2A | N2B | 0.1° | 0.0° |
| C1 | C2 | C2A | CA | 179.4° | 175.3° |
| C2 | C1 | C2C | N2B | 1.0° | 0.0° |
| C2 | C1 | C2C | CD | 178.0° | 175.4° |
| C2C | C1 | C2 | C2A | 0.5° | 0.1° |
| C2C | C1 | C2 | H2 | 179.5° | 178.7° |
| C1 | C2C | N2B | C2A | 1.0° | 0.0° |
| C1 | C2C | N2B | CD | 179.0° | 176.1° |
| C1 | C2C | N2B | H2B | 179.0° | 177.9° |
| C1 | C2C | CD | C8A | 179.0° | 127.7° |
| C1 | C2C | CD | C24 | 0.9° | 50.9° |
| H1 | C1 | C2 | C2A | 179.5° | 178.7° |
| H1 | C1 | C2 | H2 | 0.5° | 0.1° |
| H1 | C1 | C2C | N2B | 179.0° | 178.7° |
| H1 | C1 | C2C | CD | 2.0° | 3.3° |
| C2 | C2A | N2B | CA | 179.6° | 176.0° |
| C2 | C2A | N2B | C2C | 0.7° | 0.0° |
| C2 | C2A | N2B | H2B | 179.3° | 177.9° |
| C2 | C2A | CA | C4C | 178.6° | 127.7° |
| C2 | C2A | CA | C28 | 2.3° | 50.9° |
| H2 | C2 | C2A | N2B | 179.9° | 178.7° |
| H2 | C2 | C2A | CA | 0.6° | 3.4° |
| C2A | N2B | C2C | H2B | 180.0° | 177.9° |
| C2A | N2B | C2C | CD | 177.9° | 176.1° |
| N2B | C2A | CA | C4C | 1.9° | 57.5° |
| N2B | C2A | CA | C28 | 177.2° | 123.9° |
| CA | C2A | N2B | C2C | 178.8° | 176.1° |
| CA | C2A | N2B | H2B | 1.1° | 1.8° |
| C2A | CA | C4C | C28 | 179.1° | 178.6° |
| C2A | CA | C4C | C3 | 179.8° | 179.5° |
| C2A | CA | C4C | N4B | 0.4° | 1.8° |
| C2A | CA | C28 | C27 | 105.0° | 90.0° |
| C2A | CA | C28 | C29 | 76.3° | 90.0° |
| N2B | C2C | CD | C8A | 0.2° | 57.3° |
| N2B | C2C | CD | C24 | 179.7° | 124.1° |
| H2B | N2B | C2C | CD | 2.0° | 1.8° |
| C2C | CD | C8A | C8 | 177.9° | 179.5° |
| C2C | CD | C8A | N8B | 2.0° | 1.7° |
| C2C | CD | C8A | C24 | 179.9° | 178.6° |
| C2C | CD | C24 | C23 | 81.1° | 90.1° |
| C2C | CD | C24 | C25 | 100.5° | 90.1° |
| CA | C4C | C3 | N4B | 179.8° | 178.9° |
| CA | C4C | C3 | C4 | 179.5° | 178.4° |
| CA | C4C | C3 | H3 | 0.6° | 1.5° |
| CA | C4C | N4B | C4A | 179.6° | 178.2° |
| C4C | CA | C28 | C27 | 75.8° | 88.6° |
| C4C | CA | C28 | C29 | 103.0° | 91.4° |
| C28 | CA | C4C | C3 | 0.7° | 1.8° |
| C28 | CA | C4C | N4B | 179.5° | 176.9° |
| CA | C28 | C27 | C29 | 178.7° | 180.0° |
| CA | C28 | C27 | C32 | 178.5° | 180.0° |
| CA | C28 | C27 | H27 | 1.5° | 0.1° |
| CA | C28 | C29 | C30 | 178.6° | 180.0° |
| CA | C28 | C29 | H29 | 1.4° | 0.0° |
| C4C | C3 | C4 | H3 | 180.0° | 179.9° |
| C4C | C3 | C4 | C4A | 0.3° | 0.1° |
| C4C | C3 | C4 | H4 | 179.7° | 179.8° |
| C3 | C4C | N4B | C4A | 0.2° | 0.7° |
| N4B | C4C | C3 | C4 | 0.4° | 0.5° |
| N4B | C4C | C3 | H3 | 179.6° | 179.6° |
| C4C | N4B | C4A | C4 | 0.0° | 0.7° |
| C4C | N4B | C4A | CB | 179.6° | 178.0° |
| C3 | C4 | C4A | H4 | 180.0° | 179.7° |
| C3 | C4 | C4A | N4B | 0.2° | 0.4° |
| C3 | C4 | C4A | CB | 179.4° | 178.4° |
| H3 | C3 | C4 | C4A | 179.7° | 180.0° |
| H3 | C3 | C4 | H4 | 0.3° | 0.3° |
| C4 | C4A | N4B | CB | 179.6° | 178.7° |
| C4 | C4A | CB | C6C | 178.1° | 157.4° |
| C4 | C4A | CB | C20 | 0.7° | 23.5° |
| H4 | C4 | C4A | N4B | 179.8° | 179.3° |
| H4 | C4 | C4A | CB | 0.6° | 1.9° |
| N4B | C4A | CB | C6C | 1.4° | 24.0° |
| N4B | C4A | CB | C20 | 179.8° | 155.1° |
| C4A | CB | C6C | C20 | 178.9° | 179.1° |
| C4A | CB | C6C | C5 | 179.5° | 178.3° |
| C4A | CB | C6C | N6B | 0.8° | 2.0° |
| C4A | CB | C20 | C15 | 74.4° | 90.9° |
| C4A | CB | C20 | C19 | 106.5° | 89.1° |
| CB | C6C | C5 | N6B | 178.9° | 179.7° |
| CB | C6C | C5 | C6 | 178.0° | 179.3° |
| CB | C6C | C5 | H5 | 2.0° | 0.6° |
| CB | C6C | N6B | C6A | 177.7° | 179.0° |
| CB | C6C | N6B | H6B | 57.0° | 0.2° |
| C6C | CB | C20 | C15 | 106.7° | 90.0° |
| C6C | CB | C20 | C19 | 72.5° | 90.0° |
| C20 | CB | C6C | C5 | 0.6° | 0.8° |
| C20 | CB | C6C | N6B | 178.1° | 178.9° |
| CB | C20 | C15 | C16 | 179.1° | 179.9° |
| CB | C20 | C15 | C19 | 179.1° | 179.9° |
| CB | C20 | C15 | H17 | 0.9° | 0.1° |
| CB | C20 | C19 | C18 | 179.0° | 179.9° |
| CB | C20 | C19 | H19 | 1.0° | 0.0° |
| C6C | C5 | C6 | H5 | 180.0° | 179.9° |
| C6C | C5 | C6 | C6A | 0.2° | 0.0° |
| C6C | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C6C | N6B | C6A | 1.2° | 0.7° |
| C5 | C6C | N6B | H6B | 124.0° | 179.5° |
| N6B | C6C | C5 | C6 | 0.9° | 0.4° |
| N6B | C6C | C5 | H5 | 179.1° | 179.7° |
| C6C | N6B | C6A | C6 | 1.1° | 0.7° |
| C6C | N6B | C6A | H6B | 125.3° | 178.8° |
| C6C | N6B | C6A | CC | 178.4° | 179.1° |
| C5 | C6 | C6A | H6 | 180.0° | 180.0° |
| C5 | C6 | C6A | N6B | 0.6° | 0.4° |
| C5 | C6 | C6A | CC | 178.9° | 179.4° |
| H5 | C5 | C6 | C6A | 179.8° | 179.9° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C6A | N6B | CC | 179.5° | 179.7° |
| C6 | C6A | N6B | H6B | 124.1° | 179.4° |
| C6 | C6A | CC | C8C | 179.3° | 178.3° |
| C6 | C6A | CC | C12 | 1.2° | 0.9° |
| H6 | C6 | C6A | N6B | 179.5° | 179.7° |
| H6 | C6 | C6A | CC | 1.1° | 0.6° |
| N6B | C6A | CC | C8C | 1.3° | 2.1° |
| N6B | C6A | CC | C12 | 178.2° | 178.8° |
| CC | C6A | N6B | H6B | 56.4° | 0.3° |
| C6A | CC | C8C | C12 | 179.6° | 179.2° |
| C6A | CC | C8C | C7 | 179.9° | 157.6° |
| C6A | CC | C8C | N8B | 0.5° | 23.7° |
| C6A | CC | C12 | C11 | 79.8° | 90.1° |
| C6A | CC | C12 | C13 | 99.9° | 90.1° |
| CC | C8C | C7 | N8B | 179.5° | 178.8° |
| CC | C8C | C7 | C8 | 178.8° | 178.4° |
| CC | C8C | C7 | H7 | 1.2° | 1.9° |
| CC | C8C | N8B | C8A | 178.7° | 177.9° |
| C8C | CC | C12 | C11 | 99.8° | 89.1° |
| C8C | CC | C12 | C13 | 80.5° | 90.8° |
| C12 | CC | C8C | C7 | 0.5° | 23.2° |
| C12 | CC | C8C | N8B | 179.9° | 155.4° |
| CC | C12 | C11 | C10 | 179.6° | 180.0° |
| CC | C12 | C11 | C13 | 179.7° | 179.9° |
| CC | C12 | C11 | H15 | 0.4° | 0.2° |
| CC | C12 | C13 | C14 | 179.6° | 179.9° |
| CC | C12 | C13 | H9 | 0.4° | 0.0° |
| C8C | C7 | C8 | H7 | 180.0° | 179.7° |
| C8C | C7 | C8 | C8A | 0.3° | 0.1° |
| C8C | C7 | C8 | H8 | 179.7° | 179.9° |
| C7 | C8C | N8B | C8A | 0.8° | 0.8° |
| N8B | C8C | C7 | C8 | 0.7° | 0.4° |
| N8B | C8C | C7 | H7 | 179.3° | 179.3° |
| C8C | N8B | C8A | C8 | 0.6° | 0.8° |
| C8C | N8B | C8A | CD | 179.4° | 178.1° |
| C7 | C8 | C8A | H8 | 180.0° | 179.8° |
| C7 | C8 | C8A | N8B | 0.2° | 0.6° |
| C7 | C8 | C8A | CD | 179.8° | 178.3° |
| H7 | C7 | C8 | C8A | 179.7° | 179.8° |
| H7 | C7 | C8 | H8 | 0.3° | 0.4° |
| C8 | C8A | N8B | CD | 179.9° | 178.9° |
| C8 | C8A | CD | C24 | 1.9° | 1.9° |
| H8 | C8 | C8A | N8B | 179.8° | 179.6° |
| H8 | C8 | C8A | CD | 0.2° | 1.5° |
| N8B | C8A | CD | C24 | 178.1° | 176.9° |
| C8A | CD | C24 | C23 | 98.8° | 91.4° |
| C8A | CD | C24 | C25 | 79.6° | 88.5° |
| CD | C24 | C23 | C22 | 178.0° | 180.0° |
| CD | C24 | C23 | C25 | 178.4° | 179.9° |
| CD | C24 | C23 | H23 | 2.0° | 0.3° |
| CD | C24 | C25 | C26 | 178.1° | 180.0° |
| CD | C24 | C25 | H25 | 1.9° | 0.1° |
| C10 | C9 | C14 | S1 | 179.6° | 180.0° |
| C9 | C10 | C11 | H12 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | C11 | H15 | 179.9° | 180.0° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C10 | C9 | C14 | H14 | 180.0° | 179.9° |
| C10 | C9 | S1 | O2 | 163.4° | 90.0° |
| C10 | C9 | S1 | O3 | 43.9° | 146.9° |
| C10 | C9 | S1 | O4 | 74.6° | 33.2° |
| C14 | C9 | C10 | C11 | 0.0° | 0.1° |
| C14 | C9 | C10 | H12 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.0° | 0.0° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C9 | S1 | O2 | 17.0° | 90.1° |
| C14 | C9 | S1 | O3 | 136.5° | 33.1° |
| C14 | C9 | S1 | O4 | 105.0° | 146.8° |
| S1 | C9 | C10 | C11 | 179.6° | 179.9° |
| S1 | C9 | C10 | H12 | 0.4° | 0.0° |
| S1 | C9 | C14 | C13 | 179.5° | 180.0° |
| S1 | C9 | C14 | H14 | 0.5° | 0.0° |
| C9 | S1 | O2 | O3 | 116.4° | 120.6° |
| C9 | S1 | O2 | O4 | 119.1° | 120.5° |
| C9 | S1 | O3 | O4 | 116.4° | 115.2° |
| C9 | S1 | O3 | HO3 | 180.0° | 67.9° |
| C9 | S1 | O4 | HO4 | 180.0° | 68.0° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| H12 | C10 | C11 | C12 | 179.9° | 179.9° |
| H12 | C10 | C11 | H15 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H9 | 179.9° | 179.9° |
| H15 | C11 | C12 | C13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| H9 | C13 | C14 | H14 | 0.0° | 0.0° |
| C16 | C15 | C20 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | S2 | 179.7° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.0° |
| C20 | C15 | C16 | C17 | 0.2° | 0.0° |
| C20 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C20 | C19 | C18 | 0.2° | 0.0° |
| C15 | C20 | C19 | H19 | 179.8° | 180.0° |
| H17 | C15 | C16 | C17 | 179.8° | 180.0° |
| H17 | C15 | C16 | H16 | 0.1° | 0.0° |
| H17 | C15 | C20 | C19 | 179.9° | 180.0° |
| C16 | C17 | C18 | S2 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C16 | C17 | S2 | O5 | 180.0° | 90.0° |
| C16 | C17 | S2 | O6 | 59.1° | 146.9° |
| C16 | C17 | S2 | O7 | 60.5° | 33.1° |
| H16 | C16 | C17 | C18 | 179.7° | 179.9° |
| H16 | C16 | C17 | S2 | 0.3° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C18 | C17 | S2 | O5 | 0.1° | 90.0° |
| C18 | C17 | S2 | O6 | 120.9° | 33.1° |
| C18 | C17 | S2 | O7 | 119.5° | 146.8° |
| S2 | C17 | C18 | C19 | 179.8° | 180.0° |
| S2 | C17 | C18 | H18 | 0.2° | 0.0° |
| C17 | S2 | O5 | O6 | 118.8° | 120.6° |
| C17 | S2 | O5 | O7 | 116.6° | 120.5° |
| C17 | S2 | O6 | O7 | 115.4° | 115.2° |
| C17 | S2 | O6 | HO6 | 180.0° | 67.9° |
| C17 | S2 | O7 | HO7 | 180.0° | 68.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| H18 | C18 | C19 | C20 | 180.0° | 180.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| C22 | C21 | C26 | S3 | 179.4° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C21 | C26 | C25 | 0.5° | 0.1° |
| C22 | C21 | C26 | H26 | 179.5° | 179.9° |
| C22 | C21 | S3 | O8 | 179.6° | 90.0° |
| C22 | C21 | S3 | O9 | 58.5° | 146.9° |
| C22 | C21 | S3 | O10 | 60.9° | 33.1° |
| C26 | C21 | C22 | C23 | 0.5° | 0.1° |
| C26 | C21 | C22 | H22 | 179.5° | 179.9° |
| C21 | C26 | C25 | C24 | 0.1° | 0.1° |
| C21 | C26 | C25 | H26 | 180.0° | 179.8° |
| C21 | C26 | C25 | H25 | 179.9° | 180.0° |
| C26 | C21 | S3 | O8 | 1.0° | 90.0° |
| C26 | C21 | S3 | O9 | 122.1° | 33.1° |
| C26 | C21 | S3 | O10 | 118.5° | 146.9° |
| S3 | C21 | C22 | C23 | 178.9° | 179.9° |
| S3 | C21 | C22 | H22 | 1.1° | 0.1° |
| S3 | C21 | C26 | C25 | 178.9° | 179.9° |
| S3 | C21 | C26 | H26 | 1.1° | 0.1° |
| C21 | S3 | O8 | O9 | 118.6° | 120.6° |
| C21 | S3 | O8 | O10 | 117.6° | 120.6° |
| C21 | S3 | O9 | O10 | 116.4° | 115.3° |
| C21 | S3 | O9 | HO9 | 180.0° | 67.8° |
| C21 | S3 | O10 | H10 | 180.0° | 68.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| H22 | C22 | C23 | C24 | 180.0° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C23 | C24 | C25 | H25 | 179.6° | 179.9° |
| H23 | C23 | C24 | C25 | 179.7° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| H25 | C25 | C26 | H26 | 0.1° | 0.1° |
| C28 | C27 | C32 | H27 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C27 | C32 | C31 | 0.1° | 0.0° |
| C28 | C27 | C32 | H32 | 179.9° | 180.0° |
| C32 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C32 | C31 | C30 | 0.2° | 0.0° |
| C27 | C32 | C31 | H32 | 180.0° | 180.0° |
| C27 | C32 | C31 | S4 | 179.4° | 179.9° |
| H27 | C27 | C28 | C29 | 179.8° | 179.9° |
| H27 | C27 | C32 | C31 | 179.9° | 179.9° |
| H27 | C27 | C32 | H32 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H30 | 179.9° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | S4 | 179.3° | 179.9° |
| H29 | C29 | C30 | C31 | 179.9° | 180.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| C30 | C31 | C32 | S4 | 179.5° | 179.9° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| C30 | C31 | S4 | O11 | 159.8° | 33.1° |
| C30 | C31 | S4 | O12 | 80.6° | 90.1° |
| C30 | C31 | S4 | O13 | 40.6° | 146.8° |
| H30 | C30 | C31 | C32 | 179.8° | 180.0° |
| H30 | C30 | C31 | S4 | 0.7° | 0.0° |
| C32 | C31 | S4 | O11 | 20.7° | 146.9° |
| C32 | C31 | S4 | O12 | 98.9° | 90.0° |
| C32 | C31 | S4 | O13 | 139.9° | 33.1° |
| S4 | C31 | C32 | H32 | 0.7° | 0.1° |
| C31 | S4 | O11 | O12 | 118.8° | 122.1° |
| C31 | S4 | O11 | O13 | 116.4° | 115.3° |
| C31 | S4 | O12 | O13 | 118.0° | 120.6° |
| C31 | S4 | O11 | H11 | 180.0° | 67.9° |
| C31 | S4 | O13 | H13 | 180.0° | 67.9° |
| O2 | S1 | O3 | O4 | 125.3° | 122.7° |
| O2 | S1 | O3 | HO3 | 61.6° | 170.0° |
| O2 | S1 | O4 | HO4 | 59.9° | 169.9° |
| O3 | S1 | O4 | HO4 | 64.6° | 47.2° |
| O4 | S1 | O3 | HO3 | 63.6° | 47.3° |
| O5 | S2 | O6 | O7 | 123.7° | 122.7° |
| O5 | S2 | O6 | HO6 | 59.1° | 170.0° |
| O5 | S2 | O7 | HO7 | 60.3° | 170.0° |
| O6 | S2 | O7 | HO7 | 63.6° | 47.3° |
| O7 | S2 | O6 | HO6 | 64.6° | 47.3° |
| O8 | S3 | O9 | O10 | 123.0° | 122.6° |
| O8 | S3 | O9 | HO9 | 59.4° | 170.0° |
| O8 | S3 | O10 | H10 | 60.2° | 169.9° |
| O9 | S3 | O10 | H10 | 63.5° | 47.3° |
| O10 | S3 | O9 | HO9 | 63.6° | 47.4° |
| O11 | S4 | O12 | O13 | 124.2° | 118.8° |
| O11 | S4 | O13 | H13 | 63.1° | 47.3° |
| O12 | S4 | O11 | H11 | 61.2° | 169.9° |
| O12 | S4 | O13 | H13 | 60.7° | 169.9° |
| O13 | S4 | O11 | H11 | 63.6° | 47.3° |
