IYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C32 | sing | 1.46Å | 1.45Å | |
| N3 | C31 | sing | 1.39Å | 1.38Å | |
| C23 | N2 | sing | 1.46Å | 1.45Å | |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C15 | doub | 1.21Å | 1.23Å | |
| O7 | C29 | sing | 1.35Å | 1.39Å | |
| O7 | C25 | sing | 1.35Å | 1.38Å | |
| C24 | C25 | doub | 1.36Å | 1.38Å | |
| C24 | C21 | sing | 1.41Å | 1.39Å | |
| C29 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | C21 | doub | 1.33Å | 1.37Å | |
| N2 | C22 | sing | 1.47Å | 1.45Å | |
| C25 | C18 | sing | 1.46Å | 1.40Å | |
| C28 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.46Å | 1.39Å | |
| O5 | C15 | sing | 1.35Å | 1.26Å | |
| C15 | C14 | sing | 1.48Å | 1.51Å | |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C17 | sing | 1.47Å | 1.49Å | |
| C18 | C17 | doub | 1.41Å | 1.38Å | |
| C18 | C19 | sing | 1.41Å | 1.39Å | |
| C20 | C19 | doub | 1.35Å | 1.39Å | |
| C17 | C16 | sing | 1.47Å | 1.50Å | |
| C14 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.49Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | S | sing | 1.66Å | 1.62Å | |
| O3 | S | doub | 1.42Å | 1.44Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| S | C10 | sing | 1.81Å | 1.75Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| N | H21 | sing | 0.97Å | 1.00Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N3 | C32 | 116.2° | 120.0° |
| C33 | N3 | C31 | 119.8° | 120.0° |
| N3 | C33 | H42 | 109.5° | 109.5° |
| N3 | C33 | H43 | 109.5° | 109.5° |
| N3 | C33 | H44 | 109.5° | 109.5° |
| C32 | N3 | C31 | 121.3° | 120.0° |
| N3 | C32 | H39 | 109.5° | 109.5° |
| N3 | C32 | H40 | 109.5° | 109.5° |
| N3 | C32 | H41 | 109.5° | 109.5° |
| N3 | C31 | C30 | 120.9° | 119.7° |
| N3 | C31 | C28 | 121.1° | 119.8° |
| C23 | N2 | C21 | 119.8° | 120.0° |
| C23 | N2 | C22 | 120.6° | 120.0° |
| N2 | C23 | H32 | 109.5° | 109.4° |
| N2 | C23 | H33 | 109.5° | 109.5° |
| N2 | C23 | H34 | 109.4° | 109.5° |
| C31 | C30 | C29 | 120.7° | 119.9° |
| C30 | C31 | C28 | 118.0° | 120.5° |
| C31 | C30 | H38 | 119.7° | 120.1° |
| C30 | C29 | O7 | 116.3° | 119.8° |
| C30 | C29 | C26 | 121.4° | 119.2° |
| C29 | C30 | H38 | 119.7° | 120.0° |
| C31 | C28 | C27 | 120.9° | 120.3° |
| C31 | C28 | H37 | 119.6° | 119.9° |
| O6 | C15 | O5 | 121.8° | 120.1° |
| O6 | C15 | C14 | 119.8° | 120.0° |
| C29 | O7 | C25 | 119.0° | 122.3° |
| O7 | C29 | C26 | 122.2° | 121.0° |
| O7 | C25 | C24 | 116.9° | 120.1° |
| O7 | C25 | C18 | 122.0° | 120.4° |
| C25 | C24 | C21 | 120.4° | 119.9° |
| C24 | C25 | C18 | 121.1° | 119.5° |
| C25 | C24 | H35 | 119.8° | 120.0° |
| C24 | C21 | N2 | 120.6° | 119.9° |
| C24 | C21 | C20 | 119.0° | 120.3° |
| C21 | C24 | H35 | 119.8° | 120.1° |
| C29 | C26 | C27 | 117.5° | 120.2° |
| C29 | C26 | C17 | 117.5° | 119.5° |
| C21 | N2 | C22 | 119.6° | 120.0° |
| N2 | C21 | C20 | 120.4° | 119.9° |
| N2 | C22 | H29 | 109.5° | 109.5° |
| N2 | C22 | H30 | 109.4° | 109.4° |
| N2 | C22 | H31 | 109.5° | 109.4° |
| C25 | C18 | C17 | 120.6° | 119.0° |
| C25 | C18 | C19 | 118.0° | 120.4° |
| C28 | C27 | C26 | 121.5° | 119.9° |
| C28 | C27 | H36 | 119.2° | 120.0° |
| C27 | C28 | H37 | 119.6° | 119.9° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C21 | C20 | H28 | 119.8° | 120.1° |
| O5 | C15 | C14 | 115.7° | 119.9° |
| C15 | O5 | H10 | 109.5° | 116.9° |
| C15 | C14 | C16 | 125.3° | 120.1° |
| C15 | C14 | C13 | 115.4° | 120.1° |
| C27 | C26 | C17 | 125.0° | 120.3° |
| C26 | C27 | H36 | 119.3° | 120.1° |
| C26 | C17 | C18 | 118.5° | 117.7° |
| C26 | C17 | C16 | 120.9° | 121.1° |
| C17 | C18 | C19 | 121.4° | 120.6° |
| C18 | C17 | C16 | 119.9° | 121.2° |
| C18 | C19 | C20 | 121.1° | 119.9° |
| C18 | C19 | H27 | 119.5° | 120.0° |
| C20 | C19 | H27 | 119.5° | 120.1° |
| C19 | C20 | H28 | 119.8° | 119.9° |
| C17 | C16 | C14 | 123.5° | 120.1° |
| C17 | C16 | C34 | 117.0° | 120.2° |
| C16 | C14 | C13 | 119.3° | 119.8° |
| C14 | C16 | C34 | 119.1° | 119.7° |
| C14 | C13 | C12 | 120.6° | 120.1° |
| C14 | C13 | H26 | 119.7° | 119.9° |
| C16 | C34 | C11 | 120.7° | 119.8° |
| C16 | C34 | H45 | 119.7° | 120.1° |
| C13 | C12 | C11 | 120.5° | 120.4° |
| C13 | C12 | H25 | 119.8° | 119.8° |
| C12 | C13 | H26 | 119.7° | 119.9° |
| C34 | C11 | C12 | 119.6° | 120.1° |
| C34 | C11 | C | 115.4° | 119.9° |
| C11 | C34 | H45 | 119.7° | 120.0° |
| C12 | C11 | C | 125.0° | 119.9° |
| C11 | C12 | H25 | 119.8° | 119.8° |
| C11 | C | O | 119.6° | 120.0° |
| C11 | C | N | 116.9° | 120.0° |
| O | C | N | 123.5° | 120.0° |
| C | N | C1 | 120.6° | 120.0° |
| C | N | H21 | 119.7° | 119.9° |
| N | C1 | C2 | 109.3° | 109.5° |
| N | C1 | H8 | 109.5° | 109.5° |
| N | C1 | H9 | 109.5° | 109.4° |
| C1 | N | H21 | 119.7° | 120.0° |
| C1 | C2 | O1 | 109.7° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H19 | 109.4° | 109.5° |
| C1 | C2 | H20 | 109.4° | 109.5° |
| C2 | O1 | C3 | 109.0° | 114.0° |
| O1 | C2 | H19 | 109.4° | 109.5° |
| O1 | C2 | H20 | 109.4° | 109.4° |
| O1 | C3 | C4 | 112.8° | 109.5° |
| O1 | C3 | H17 | 108.6° | 109.4° |
| O1 | C3 | H18 | 108.6° | 109.4° |
| C3 | C4 | O2 | 108.8° | 109.5° |
| C3 | C4 | H15 | 109.6° | 109.5° |
| C3 | C4 | H16 | 109.6° | 109.5° |
| C4 | C3 | H17 | 108.6° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.5° |
| C4 | O2 | C5 | 114.4° | 114.0° |
| O2 | C4 | H15 | 109.7° | 109.5° |
| O2 | C4 | H16 | 109.6° | 109.5° |
| O2 | C5 | C6 | 103.6° | 109.5° |
| O2 | C5 | H11 | 110.9° | 109.5° |
| O2 | C5 | H12 | 110.9° | 109.4° |
| C5 | C6 | C7 | 111.5° | 109.4° |
| C6 | C5 | H11 | 110.9° | 109.5° |
| C6 | C5 | H12 | 110.9° | 109.5° |
| C5 | C6 | H13 | 109.0° | 109.5° |
| C5 | C6 | H14 | 108.9° | 109.4° |
| C6 | C7 | C8 | 113.3° | 109.4° |
| C6 | C7 | H2 | 108.5° | 109.5° |
| C6 | C7 | H3 | 108.5° | 109.5° |
| C7 | C6 | H13 | 109.0° | 109.5° |
| C7 | C6 | H14 | 109.0° | 109.5° |
| C7 | C8 | C9 | 115.9° | 109.5° |
| C8 | C7 | H2 | 108.5° | 109.5° |
| C8 | C7 | H3 | 108.5° | 109.4° |
| C7 | C8 | H4 | 107.8° | 109.5° |
| C7 | C8 | H5 | 107.9° | 109.5° |
| C8 | C9 | N1 | 109.6° | 109.4° |
| C9 | C8 | H4 | 107.9° | 109.5° |
| C9 | C8 | H5 | 107.8° | 109.5° |
| C8 | C9 | H6 | 109.4° | 109.4° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C9 | N1 | S | 124.3° | 120.0° |
| C9 | N1 | H1 | 105.6° | 120.0° |
| N1 | C9 | H6 | 109.5° | 109.5° |
| N1 | C9 | H7 | 109.5° | 109.5° |
| N1 | S | O3 | 108.1° | 104.3° |
| N1 | S | O4 | 107.3° | 104.3° |
| N1 | S | C10 | 107.6° | 104.5° |
| S | N1 | H1 | 105.7° | 120.0° |
| O3 | S | O4 | 117.6° | 121.0° |
| O3 | S | C10 | 107.6° | 110.5° |
| O4 | S | C10 | 108.3° | 110.5° |
| S | C10 | H22 | 109.5° | 109.4° |
| S | C10 | H23 | 109.5° | 109.5° |
| S | C10 | H24 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.4° | 109.5° |
| H22 | C10 | H24 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.4° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.4° | 109.4° |
| H32 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H41 | 109.4° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.4° |
| H42 | C33 | H43 | 109.5° | 109.5° |
| H42 | C33 | H44 | 109.4° | 109.5° |
| H43 | C33 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | N3 | C32 | C31 | 161.4° | 179.9° |
| C33 | N3 | C31 | C30 | 21.4° | 180.0° |
| C33 | N3 | C31 | C28 | 159.4° | 0.0° |
| C33 | N3 | C32 | H39 | 180.0° | 90.0° |
| C33 | N3 | C32 | H40 | 60.0° | 30.1° |
| C33 | N3 | C32 | H41 | 60.0° | 150.0° |
| N3 | C33 | H42 | H43 | 120.0° | 120.0° |
| N3 | C33 | H42 | H44 | 120.0° | 120.0° |
| N3 | C33 | H43 | H44 | 120.0° | 120.0° |
| C32 | N3 | C31 | C30 | 177.8° | 0.0° |
| C32 | N3 | C31 | C28 | 1.4° | 179.9° |
| N3 | C32 | H39 | H40 | 120.0° | 120.1° |
| N3 | C32 | H39 | H41 | 120.0° | 120.0° |
| N3 | C32 | H40 | H41 | 120.0° | 120.0° |
| C32 | N3 | C33 | H42 | 180.0° | 90.0° |
| C32 | N3 | C33 | H43 | 60.0° | 150.0° |
| C32 | N3 | C33 | H44 | 60.0° | 30.0° |
| N3 | C31 | C30 | C28 | 179.2° | 179.9° |
| N3 | C31 | C30 | C29 | 178.6° | 180.0° |
| N3 | C31 | C28 | C27 | 178.9° | 180.0° |
| N3 | C31 | C28 | H37 | 1.1° | 0.0° |
| N3 | C31 | C30 | H38 | 1.4° | 0.1° |
| C31 | N3 | C32 | H39 | 18.5° | 90.0° |
| C31 | N3 | C32 | H40 | 138.5° | 150.0° |
| C31 | N3 | C32 | H41 | 101.4° | 30.1° |
| C31 | N3 | C33 | H42 | 18.3° | 90.0° |
| C31 | N3 | C33 | H43 | 101.7° | 30.0° |
| C31 | N3 | C33 | H44 | 138.3° | 150.0° |
| C23 | N2 | C21 | C24 | 1.3° | 5.9° |
| C23 | N2 | C21 | C22 | 178.4° | 180.0° |
| C23 | N2 | C21 | C20 | 178.8° | 174.1° |
| C23 | N2 | C22 | H29 | 180.0° | 90.0° |
| C23 | N2 | C22 | H30 | 60.0° | 30.0° |
| C23 | N2 | C22 | H31 | 60.0° | 150.0° |
| N2 | C23 | H32 | H33 | 120.0° | 120.0° |
| N2 | C23 | H32 | H34 | 120.0° | 120.0° |
| N2 | C23 | H33 | H34 | 120.0° | 120.0° |
| C31 | C30 | C29 | H38 | 180.0° | 179.9° |
| C31 | C30 | C29 | O7 | 179.6° | 179.9° |
| C31 | C30 | C29 | C26 | 0.7° | 0.1° |
| C30 | C31 | C28 | C27 | 0.3° | 0.1° |
| C30 | C31 | C28 | H37 | 179.7° | 179.9° |
| C29 | C30 | C31 | C28 | 0.6° | 0.1° |
| C30 | C29 | O7 | C26 | 179.7° | 180.0° |
| C30 | C29 | O7 | C25 | 179.0° | 179.6° |
| C30 | C29 | C26 | C27 | 0.5° | 0.1° |
| C30 | C29 | C26 | C17 | 178.5° | 180.0° |
| C31 | C28 | C27 | H37 | 180.0° | 180.0° |
| C31 | C28 | C27 | C26 | 0.1° | 0.0° |
| C31 | C28 | C27 | H36 | 179.9° | 180.0° |
| C28 | C31 | C30 | H38 | 179.4° | 180.0° |
| O6 | C15 | O5 | C14 | 161.2° | 180.0° |
| O6 | C15 | C14 | C16 | 23.8° | 0.0° |
| O6 | C15 | C14 | C13 | 159.4° | 179.7° |
| O6 | C15 | O5 | H10 | 0.0° | 0.0° |
| C29 | O7 | C25 | C24 | 178.0° | 179.7° |
| C29 | O7 | C25 | C18 | 3.1° | 0.4° |
| O7 | C29 | C26 | C27 | 179.8° | 179.9° |
| O7 | C29 | C26 | C17 | 1.1° | 0.0° |
| O7 | C29 | C30 | H38 | 0.4° | 0.0° |
| O7 | C25 | C24 | C18 | 178.9° | 180.0° |
| O7 | C25 | C24 | C21 | 177.2° | 180.0° |
| C25 | O7 | C29 | C26 | 1.3° | 0.3° |
| O7 | C25 | C18 | C17 | 2.3° | 0.1° |
| O7 | C25 | C18 | C19 | 176.2° | 180.0° |
| O7 | C25 | C24 | H35 | 2.8° | 0.0° |
| C25 | C24 | C21 | H35 | 180.0° | 180.0° |
| C25 | C24 | C21 | N2 | 179.2° | 179.9° |
| C25 | C24 | C21 | C20 | 0.9° | 0.0° |
| C24 | C25 | C18 | C17 | 178.8° | 179.9° |
| C24 | C25 | C18 | C19 | 2.7° | 0.0° |
| C24 | C21 | N2 | C20 | 179.9° | 180.0° |
| C24 | C21 | N2 | C22 | 179.7° | 174.1° |
| C21 | C24 | C25 | C18 | 1.7° | 0.0° |
| C24 | C21 | C20 | C19 | 2.4° | 0.0° |
| C24 | C21 | C20 | H28 | 177.6° | 180.0° |
| C29 | C26 | C27 | C28 | 0.2° | 0.0° |
| C29 | C26 | C27 | C17 | 179.0° | 180.0° |
| C29 | C26 | C17 | C18 | 1.9° | 0.2° |
| C29 | C26 | C17 | C16 | 168.8° | 180.0° |
| C29 | C26 | C27 | H36 | 179.8° | 180.0° |
| C26 | C29 | C30 | H38 | 179.3° | 180.0° |
| N2 | C21 | C20 | C19 | 177.6° | 180.0° |
| N2 | C21 | C20 | H28 | 2.4° | 0.0° |
| C21 | N2 | C22 | H29 | 1.5° | 90.0° |
| C21 | N2 | C22 | H30 | 121.6° | 150.0° |
| C21 | N2 | C22 | H31 | 118.4° | 30.0° |
| C21 | N2 | C23 | H32 | 180.0° | 65.0° |
| C21 | N2 | C23 | H33 | 60.0° | 175.0° |
| C21 | N2 | C23 | H34 | 60.0° | 55.0° |
| N2 | C21 | C24 | H35 | 0.8° | 0.0° |
| C22 | N2 | C21 | C20 | 0.3° | 5.9° |
| N2 | C22 | H29 | H30 | 120.0° | 120.0° |
| N2 | C22 | H29 | H31 | 120.0° | 120.0° |
| N2 | C22 | H30 | H31 | 120.0° | 119.9° |
| C22 | N2 | C23 | H32 | 1.6° | 115.0° |
| C22 | N2 | C23 | H33 | 121.6° | 5.0° |
| C22 | N2 | C23 | H34 | 118.4° | 125.0° |
| C25 | C18 | C17 | C26 | 0.2° | 0.2° |
| C25 | C18 | C17 | C19 | 178.4° | 179.9° |
| C25 | C18 | C19 | C20 | 1.1° | 0.1° |
| C25 | C18 | C17 | C16 | 170.5° | 180.0° |
| C25 | C18 | C19 | H27 | 178.9° | 180.0° |
| C18 | C25 | C24 | H35 | 178.3° | 180.0° |
| C28 | C27 | C26 | H36 | 180.0° | 180.0° |
| C28 | C27 | C26 | C17 | 178.7° | 180.0° |
| C21 | C20 | C19 | C18 | 1.5° | 0.0° |
| C21 | C20 | C19 | H28 | 180.0° | 180.0° |
| C21 | C20 | C19 | H27 | 178.5° | 180.0° |
| C20 | C21 | C24 | H35 | 179.1° | 180.0° |
| O5 | C15 | C14 | C16 | 137.8° | 180.0° |
| O5 | C15 | C14 | C13 | 39.0° | 0.3° |
| C15 | C14 | C16 | C17 | 10.1° | 0.3° |
| C15 | C14 | C16 | C13 | 176.7° | 179.7° |
| C15 | C14 | C16 | C34 | 177.8° | 180.0° |
| C15 | C14 | C13 | C12 | 174.9° | 179.7° |
| C14 | C15 | O5 | H10 | 161.2° | 180.0° |
| C15 | C14 | C13 | H26 | 5.1° | 0.3° |
| C27 | C26 | C17 | C18 | 179.2° | 179.8° |
| C27 | C26 | C17 | C16 | 10.2° | 0.0° |
| C26 | C27 | C28 | H37 | 179.9° | 180.0° |
| C26 | C17 | C18 | C16 | 170.8° | 179.8° |
| C26 | C17 | C18 | C19 | 178.7° | 179.7° |
| C26 | C17 | C16 | C14 | 66.6° | 74.7° |
| C26 | C17 | C16 | C34 | 105.6° | 105.0° |
| C17 | C26 | C27 | H36 | 1.3° | 0.0° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C18 | C17 | C16 | C14 | 122.9° | 105.0° |
| C18 | C17 | C16 | C34 | 64.9° | 75.2° |
| C17 | C18 | C19 | H27 | 0.4° | 0.1° |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 7.9° | 0.1° |
| C18 | C19 | C20 | H28 | 178.6° | 180.0° |
| C17 | C16 | C14 | C34 | 172.1° | 179.7° |
| C17 | C16 | C14 | C13 | 166.6° | 180.0° |
| C17 | C16 | C34 | C11 | 172.5° | 179.7° |
| C17 | C16 | C34 | H45 | 7.4° | 0.3° |
| C16 | C14 | C13 | C12 | 8.1° | 0.1° |
| C14 | C16 | C34 | C11 | 0.1° | 0.6° |
| C16 | C14 | C13 | H26 | 171.9° | 180.0° |
| C14 | C16 | C34 | H45 | 179.9° | 180.0° |
| C13 | C14 | C16 | C34 | 5.5° | 0.3° |
| C14 | C13 | C12 | H26 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 5.1° | 0.1° |
| C14 | C13 | C12 | H25 | 174.9° | 180.0° |
| C16 | C34 | C11 | H45 | 180.0° | 179.4° |
| C16 | C34 | C11 | C12 | 2.9° | 0.6° |
| C16 | C34 | C11 | C | 179.7° | 179.7° |
| C13 | C12 | C11 | C34 | 0.4° | 0.3° |
| C13 | C12 | C11 | H25 | 180.0° | 179.9° |
| C13 | C12 | C11 | C | 177.5° | 180.0° |
| C34 | C11 | C12 | C | 177.1° | 179.7° |
| C34 | C11 | C | O | 30.2° | 0.2° |
| C34 | C11 | C | N | 150.9° | 179.7° |
| C34 | C11 | C12 | H25 | 179.6° | 179.8° |
| C12 | C11 | C | O | 147.0° | 179.9° |
| C12 | C11 | C | N | 31.9° | 0.0° |
| C11 | C12 | C13 | H26 | 174.8° | 180.0° |
| C12 | C11 | C34 | H45 | 177.1° | 180.0° |
| C11 | C | O | N | 178.8° | 179.9° |
| C11 | C | N | C1 | 178.5° | 180.0° |
| C11 | C | N | H21 | 1.6° | 0.0° |
| C | C11 | C12 | H25 | 2.5° | 0.0° |
| C | C11 | C34 | H45 | 0.3° | 0.3° |
| O | C | N | C1 | 2.7° | 0.0° |
| O | C | N | H21 | 177.2° | 179.9° |
| C | N | C1 | H21 | 180.0° | 180.0° |
| C | N | C1 | C2 | 89.3° | 180.0° |
| C | N | C1 | H8 | 150.7° | 60.0° |
| C | N | C1 | H9 | 30.7° | 60.0° |
| N | C1 | C2 | H8 | 120.0° | 120.0° |
| N | C1 | C2 | H9 | 120.0° | 119.9° |
| N | C1 | C2 | O1 | 175.8° | 65.0° |
| N | C1 | H8 | H9 | 120.1° | 120.0° |
| N | C1 | C2 | H19 | 64.2° | 55.0° |
| N | C1 | C2 | H20 | 55.8° | 175.0° |
| C1 | C2 | O1 | H19 | 120.0° | 120.0° |
| C1 | C2 | O1 | H20 | 120.0° | 120.0° |
| C1 | C2 | O1 | C3 | 172.4° | 180.0° |
| C2 | C1 | H8 | H9 | 120.1° | 120.0° |
| C1 | C2 | H19 | H20 | 119.9° | 120.0° |
| C2 | C1 | N | H21 | 90.7° | 0.0° |
| C2 | O1 | C3 | C4 | 169.9° | 180.0° |
| O1 | C2 | C1 | H8 | 55.8° | 175.0° |
| O1 | C2 | C1 | H9 | 64.2° | 54.9° |
| C2 | O1 | C3 | H17 | 69.6° | 60.0° |
| C2 | O1 | C3 | H18 | 49.4° | 60.0° |
| O1 | C2 | H19 | H20 | 119.9° | 120.0° |
| O1 | C3 | C4 | H17 | 120.5° | 120.0° |
| O1 | C3 | C4 | H18 | 120.5° | 120.0° |
| O1 | C3 | C4 | O2 | 65.8° | 65.0° |
| O1 | C3 | C4 | H15 | 174.3° | 175.0° |
| O1 | C3 | C4 | H16 | 54.0° | 55.0° |
| O1 | C3 | H17 | H18 | 118.5° | 119.9° |
| C3 | O1 | C2 | H19 | 52.3° | 60.0° |
| C3 | O1 | C2 | H20 | 67.6° | 60.0° |
| C3 | C4 | O2 | H15 | 119.9° | 120.0° |
| C3 | C4 | O2 | H16 | 119.9° | 120.0° |
| C3 | C4 | O2 | C5 | 90.0° | 180.0° |
| C3 | C4 | H15 | H16 | 120.3° | 120.0° |
| C4 | C3 | H17 | H18 | 118.5° | 120.0° |
| C4 | O2 | C5 | C6 | 164.0° | 180.0° |
| C4 | O2 | C5 | H11 | 76.9° | 60.0° |
| C4 | O2 | C5 | H12 | 44.9° | 60.0° |
| O2 | C4 | H15 | H16 | 120.3° | 120.0° |
| O2 | C4 | C3 | H17 | 54.7° | 55.0° |
| O2 | C4 | C3 | H18 | 173.7° | 175.0° |
| O2 | C5 | C6 | H11 | 119.0° | 120.1° |
| O2 | C5 | C6 | H12 | 119.1° | 119.9° |
| O2 | C5 | C6 | C7 | 155.3° | 180.0° |
| O2 | C5 | H11 | H12 | 122.7° | 120.0° |
| O2 | C5 | C6 | H13 | 84.4° | 59.9° |
| O2 | C5 | C6 | H14 | 35.0° | 60.0° |
| C5 | O2 | C4 | H15 | 29.9° | 60.0° |
| C5 | O2 | C4 | H16 | 150.2° | 60.0° |
| C5 | C6 | C7 | H13 | 120.3° | 120.0° |
| C5 | C6 | C7 | H14 | 120.3° | 120.0° |
| C5 | C6 | C7 | C8 | 153.7° | 180.0° |
| C5 | C6 | C7 | H2 | 33.1° | 60.0° |
| C5 | C6 | C7 | H3 | 85.7° | 60.1° |
| C6 | C5 | H11 | H12 | 122.7° | 120.0° |
| C5 | C6 | H13 | H14 | 119.1° | 119.9° |
| C6 | C7 | C8 | H2 | 120.6° | 120.0° |
| C6 | C7 | C8 | H3 | 120.6° | 120.0° |
| C6 | C7 | C8 | C9 | 39.1° | 180.0° |
| C6 | C7 | H2 | H3 | 118.2° | 120.0° |
| C6 | C7 | C8 | H4 | 81.9° | 60.0° |
| C6 | C7 | C8 | H5 | 160.0° | 60.0° |
| C7 | C6 | C5 | H11 | 36.2° | 60.0° |
| C7 | C6 | C5 | H12 | 85.7° | 60.1° |
| C7 | C6 | H13 | H14 | 119.1° | 120.1° |
| C7 | C8 | C9 | H4 | 120.9° | 120.0° |
| C7 | C8 | C9 | H5 | 120.9° | 120.0° |
| C7 | C8 | C9 | N1 | 178.5° | 180.0° |
| C8 | C7 | H2 | H3 | 118.2° | 119.9° |
| C7 | C8 | H4 | H5 | 117.1° | 120.0° |
| C7 | C8 | C9 | H6 | 61.4° | 60.0° |
| C7 | C8 | C9 | H7 | 58.5° | 60.0° |
| C8 | C7 | C6 | H13 | 86.0° | 60.0° |
| C8 | C7 | C6 | H14 | 33.5° | 60.0° |
| C8 | C9 | N1 | H6 | 120.0° | 120.0° |
| C8 | C9 | N1 | H7 | 120.0° | 120.0° |
| C8 | C9 | N1 | S | 149.2° | 165.0° |
| C8 | C9 | N1 | H1 | 27.2° | 15.3° |
| C9 | C8 | C7 | H2 | 159.7° | 60.0° |
| C9 | C8 | C7 | H3 | 81.5° | 60.0° |
| C9 | C8 | H4 | H5 | 117.1° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | N1 | S | H1 | 122.0° | 179.7° |
| C9 | N1 | S | O3 | 47.1° | 51.4° |
| C9 | N1 | S | O4 | 174.9° | 179.2° |
| C9 | N1 | S | C10 | 68.8° | 64.7° |
| N1 | C9 | C8 | H4 | 57.6° | 60.0° |
| N1 | C9 | C8 | H5 | 60.5° | 60.0° |
| N1 | C9 | H6 | H7 | 120.0° | 120.0° |
| N1 | S | O3 | O4 | 121.6° | 116.8° |
| N1 | S | O3 | C10 | 115.9° | 111.8° |
| N1 | S | O4 | C10 | 115.8° | 111.8° |
| S | N1 | C9 | H6 | 90.8° | 75.0° |
| S | N1 | C9 | H7 | 29.2° | 45.0° |
| N1 | S | C10 | H22 | 180.0° | 60.0° |
| N1 | S | C10 | H23 | 60.0° | 180.0° |
| N1 | S | C10 | H24 | 60.0° | 60.0° |
| O3 | S | O4 | C10 | 122.1° | 131.5° |
| O3 | S | N1 | H1 | 74.9° | 129.0° |
| O3 | S | C10 | H22 | 63.8° | 171.6° |
| O3 | S | C10 | H23 | 176.3° | 68.3° |
| O3 | S | C10 | H24 | 56.3° | 51.7° |
| O4 | S | N1 | H1 | 52.9° | 1.1° |
| O4 | S | C10 | H22 | 64.3° | 51.7° |
| O4 | S | C10 | H23 | 55.6° | 68.4° |
| O4 | S | C10 | H24 | 175.6° | 171.7° |
| C10 | S | N1 | H1 | 169.2° | 115.0° |
| S | C10 | H22 | H23 | 120.0° | 120.1° |
| S | C10 | H22 | H24 | 120.0° | 119.9° |
| S | C10 | H23 | H24 | 120.0° | 119.9° |
| H1 | N1 | C9 | H6 | 147.2° | 104.7° |
| H1 | N1 | C9 | H7 | 92.9° | 135.3° |
| H2 | C7 | C8 | H4 | 38.7° | 60.0° |
| H2 | C7 | C8 | H5 | 79.4° | 180.0° |
| H2 | C7 | C6 | H13 | 153.4° | 180.0° |
| H2 | C7 | C6 | H14 | 87.1° | 60.0° |
| H3 | C7 | C8 | H4 | 157.6° | 180.0° |
| H3 | C7 | C8 | H5 | 39.5° | 60.0° |
| H3 | C7 | C6 | H13 | 34.6° | 59.9° |
| H3 | C7 | C6 | H14 | 154.0° | 180.0° |
| H4 | C8 | C9 | H6 | 177.6° | 60.0° |
| H4 | C8 | C9 | H7 | 62.4° | 180.0° |
| H5 | C8 | C9 | H6 | 59.5° | 180.0° |
| H5 | C8 | C9 | H7 | 179.5° | 60.0° |
| H8 | C1 | C2 | H19 | 175.8° | 65.0° |
| H8 | C1 | C2 | H20 | 64.2° | 55.0° |
| H8 | C1 | N | H21 | 29.3° | 120.0° |
| H9 | C1 | C2 | H19 | 55.8° | 175.0° |
| H9 | C1 | C2 | H20 | 175.7° | 65.0° |
| H9 | C1 | N | H21 | 149.3° | 120.0° |
| H11 | C5 | C6 | H13 | 156.5° | 180.0° |
| H11 | C5 | C6 | H14 | 84.1° | 60.0° |
| H12 | C5 | C6 | H13 | 34.6° | 60.0° |
| H12 | C5 | C6 | H14 | 154.0° | 179.9° |
| H15 | C4 | C3 | H17 | 65.2° | 65.0° |
| H15 | C4 | C3 | H18 | 53.8° | 55.0° |
| H16 | C4 | C3 | H17 | 174.6° | 174.9° |
| H16 | C4 | C3 | H18 | 66.4° | 65.0° |
| H22 | C10 | H23 | H24 | 120.0° | 120.0° |
| H25 | C12 | C13 | H26 | 5.2° | 0.1° |
| H27 | C19 | C20 | H28 | 1.5° | 0.0° |
| H29 | C22 | H30 | H31 | 120.0° | 120.1° |
| H32 | C23 | H33 | H34 | 120.0° | 120.0° |
| H36 | C27 | C28 | H37 | 0.1° | 0.0° |
| H39 | C32 | H40 | H41 | 120.0° | 119.9° |
| H42 | C33 | H43 | H44 | 120.0° | 120.0° |
