IYE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C21 | sing | 1.47Å | 1.45Å | |
| N2 | C20 | doub | 1.33Å | 1.36Å | |
| C32 | N3 | sing | 1.46Å | 1.45Å | |
| C23 | C20 | sing | 1.41Å | 1.40Å | |
| C23 | C24 | doub | 1.36Å | 1.38Å | |
| O5 | C14 | doub | 1.21Å | 1.25Å | |
| C20 | C19 | sing | 1.46Å | 1.40Å | |
| O7 | C24 | sing | 1.35Å | 1.38Å | |
| O7 | C28 | sing | 1.35Å | 1.38Å | |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C30 | sing | 1.39Å | 1.36Å | |
| N3 | C31 | sing | 1.47Å | 1.45Å | |
| C24 | C17 | sing | 1.46Å | 1.40Å | |
| C28 | C25 | doub | 1.41Å | 1.39Å | Aromatic |
| C30 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.38Å | |
| O6 | C14 | sing | 1.35Å | 1.25Å | |
| C14 | C13 | sing | 1.48Å | 1.51Å | |
| C17 | C18 | sing | 1.41Å | 1.39Å | |
| C17 | C16 | doub | 1.41Å | 1.39Å | |
| C25 | C16 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.49Å | |
| C13 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C | sing | 1.48Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | S | sing | 1.66Å | 1.58Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| S | C9 | sing | 1.81Å | 1.83Å | |
| F1 | C9 | sing | 1.40Å | 1.32Å | |
| C9 | F | sing | 1.40Å | 1.32Å | |
| C9 | F2 | sing | 1.40Å | 1.32Å | |
| 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 | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| O6 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N2 | C21 | 116.6° | 120.0° |
| C22 | N2 | C20 | 120.3° | 120.0° |
| N2 | C22 | H26 | 109.5° | 109.5° |
| N2 | C22 | H27 | 109.5° | 109.5° |
| N2 | C22 | H28 | 109.4° | 109.5° |
| C21 | N2 | C20 | 120.6° | 119.9° |
| N2 | C21 | H23 | 109.5° | 109.5° |
| N2 | C21 | H24 | 109.5° | 109.4° |
| N2 | C21 | H25 | 109.4° | 109.5° |
| N2 | C20 | C23 | 120.8° | 119.9° |
| N2 | C20 | C19 | 120.9° | 120.0° |
| C32 | N3 | C30 | 120.6° | 120.0° |
| C32 | N3 | C31 | 117.6° | 120.0° |
| N3 | C32 | H36 | 109.5° | 109.5° |
| N3 | C32 | H37 | 109.5° | 109.4° |
| N3 | C32 | H38 | 109.5° | 109.4° |
| C20 | C23 | C24 | 120.6° | 119.9° |
| C23 | C20 | C19 | 118.2° | 120.2° |
| C20 | C23 | H29 | 119.7° | 120.1° |
| C23 | C24 | O7 | 116.3° | 120.0° |
| C23 | C24 | C17 | 121.5° | 119.5° |
| C24 | C23 | H29 | 119.7° | 120.0° |
| O5 | C14 | O6 | 123.7° | 120.0° |
| O5 | C14 | C13 | 118.7° | 120.0° |
| C20 | C19 | C18 | 120.7° | 120.0° |
| C20 | C19 | H22 | 119.6° | 119.9° |
| C24 | O7 | C28 | 119.0° | 122.3° |
| O7 | C24 | C17 | 122.2° | 120.4° |
| O7 | C28 | C29 | 116.1° | 119.8° |
| O7 | C28 | C25 | 122.1° | 121.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | C25 | 121.8° | 119.1° |
| C28 | C29 | H32 | 119.9° | 120.0° |
| C29 | C30 | N3 | 120.9° | 119.8° |
| C29 | C30 | C27 | 118.2° | 120.5° |
| C30 | C29 | H32 | 119.9° | 120.0° |
| C30 | N3 | C31 | 120.5° | 119.9° |
| N3 | C30 | C27 | 120.9° | 119.7° |
| N3 | C31 | H33 | 109.5° | 109.4° |
| N3 | C31 | H34 | 109.5° | 109.4° |
| N3 | C31 | H35 | 109.5° | 109.5° |
| C24 | C17 | C18 | 117.7° | 120.4° |
| C24 | C17 | C16 | 119.5° | 119.0° |
| C28 | C25 | C16 | 118.0° | 119.5° |
| C28 | C25 | C26 | 117.8° | 120.2° |
| C30 | C27 | C26 | 121.0° | 120.3° |
| C30 | C27 | H31 | 119.5° | 119.9° |
| C19 | C18 | C17 | 121.3° | 120.0° |
| C19 | C18 | H21 | 119.3° | 120.0° |
| C18 | C19 | H22 | 119.7° | 120.1° |
| O6 | C14 | C13 | 117.4° | 120.0° |
| C14 | O6 | H40 | 109.5° | 117.0° |
| C14 | C13 | C15 | 125.1° | 120.1° |
| C14 | C13 | C12 | 115.8° | 120.1° |
| C18 | C17 | C16 | 122.8° | 120.6° |
| C17 | C18 | H21 | 119.4° | 120.0° |
| C17 | C16 | C25 | 119.2° | 117.7° |
| C17 | C16 | C15 | 122.1° | 121.1° |
| C16 | C25 | C26 | 124.2° | 120.3° |
| C25 | C16 | C15 | 118.3° | 121.1° |
| C25 | C26 | C27 | 121.0° | 119.9° |
| C25 | C26 | H30 | 119.6° | 120.1° |
| C27 | C26 | H30 | 119.5° | 120.0° |
| C26 | C27 | H31 | 119.5° | 119.9° |
| C16 | C15 | C13 | 123.5° | 120.2° |
| C16 | C15 | C33 | 117.2° | 120.2° |
| C15 | C13 | C12 | 119.1° | 119.8° |
| C13 | C15 | C33 | 119.2° | 119.6° |
| C13 | C12 | C11 | 120.8° | 120.2° |
| C13 | C12 | H20 | 119.6° | 119.9° |
| C15 | C33 | C10 | 121.1° | 119.9° |
| C15 | C33 | H39 | 119.4° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.3° |
| C12 | C11 | H19 | 119.7° | 119.9° |
| C11 | C12 | H20 | 119.6° | 119.9° |
| C33 | C10 | C11 | 119.1° | 120.2° |
| C33 | C10 | C | 117.5° | 119.9° |
| C10 | C33 | H39 | 119.4° | 120.1° |
| C11 | C10 | C | 123.4° | 119.9° |
| C10 | C11 | H19 | 119.7° | 119.8° |
| C10 | C | O | 120.7° | 120.0° |
| C10 | C | N | 117.0° | 120.0° |
| O | C | N | 122.3° | 120.0° |
| C | N | C1 | 121.3° | 120.0° |
| C | N | H18 | 119.3° | 120.1° |
| N | C1 | C2 | 111.7° | 109.5° |
| N | C1 | H6 | 108.9° | 109.5° |
| N | C1 | H7 | 108.9° | 109.5° |
| C1 | N | H18 | 119.3° | 120.0° |
| C1 | C2 | O1 | 109.5° | 109.5° |
| C2 | C1 | H6 | 108.9° | 109.5° |
| C2 | C1 | H7 | 108.9° | 109.4° |
| C1 | C2 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.5° | 109.4° |
| C2 | O1 | C3 | 113.0° | 114.0° |
| O1 | C2 | H16 | 109.5° | 109.5° |
| O1 | C2 | H17 | 109.5° | 109.4° |
| O1 | C3 | C4 | 109.7° | 109.5° |
| O1 | C3 | H14 | 109.4° | 109.5° |
| O1 | C3 | H15 | 109.4° | 109.5° |
| C3 | C4 | O2 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.4° |
| C3 | C4 | H13 | 109.5° | 109.5° |
| C4 | C3 | H14 | 109.4° | 109.5° |
| C4 | C3 | H15 | 109.4° | 109.5° |
| C4 | O2 | C5 | 113.9° | 114.0° |
| O2 | C4 | H12 | 109.4° | 109.4° |
| O2 | C4 | H13 | 109.4° | 109.5° |
| O2 | C5 | C6 | 108.5° | 109.4° |
| O2 | C5 | H8 | 109.7° | 109.5° |
| O2 | C5 | H9 | 109.7° | 109.5° |
| C5 | C6 | C7 | 113.3° | 109.4° |
| C6 | C5 | H8 | 109.7° | 109.5° |
| C6 | C5 | H9 | 109.7° | 109.5° |
| C5 | C6 | H10 | 108.5° | 109.5° |
| C5 | C6 | H11 | 108.5° | 109.5° |
| C6 | C7 | C8 | 113.3° | 109.4° |
| C6 | C7 | H2 | 108.5° | 109.4° |
| C6 | C7 | H3 | 108.5° | 109.5° |
| C7 | C6 | H10 | 108.5° | 109.4° |
| C7 | C6 | H11 | 108.5° | 109.5° |
| C7 | C8 | N1 | 111.2° | 109.5° |
| C8 | C7 | H2 | 108.5° | 109.5° |
| C8 | C7 | H3 | 108.5° | 109.5° |
| C7 | C8 | H4 | 109.0° | 109.5° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| O3 | S | N1 | 110.1° | 104.3° |
| O3 | S | O4 | 120.5° | 121.0° |
| O3 | S | C9 | 104.2° | 110.5° |
| C8 | N1 | S | 122.8° | 120.0° |
| C8 | N1 | H1 | 106.0° | 120.0° |
| N1 | C8 | H4 | 109.0° | 109.5° |
| N1 | C8 | H5 | 109.1° | 109.5° |
| N1 | S | O4 | 110.3° | 104.3° |
| N1 | S | C9 | 106.1° | 104.5° |
| S | N1 | H1 | 106.0° | 120.0° |
| O4 | S | C9 | 104.3° | 110.6° |
| S | C9 | F1 | 110.5° | 109.5° |
| S | C9 | F | 110.5° | 109.4° |
| S | C9 | F2 | 110.8° | 109.5° |
| F1 | C9 | F | 108.3° | 109.5° |
| F1 | C9 | F2 | 108.5° | 109.5° |
| F | C9 | F2 | 108.2° | 109.4° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.5° |
| H26 | C22 | H28 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.4° | 109.5° |
| H36 | C32 | H37 | 109.4° | 109.5° |
| H36 | C32 | H38 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N2 | C21 | C20 | 162.1° | 180.0° |
| C22 | N2 | C20 | C23 | 20.7° | 0.0° |
| C22 | N2 | C20 | C19 | 160.5° | 180.0° |
| C22 | N2 | C21 | H23 | 180.0° | 120.0° |
| C22 | N2 | C21 | H24 | 60.0° | 0.0° |
| C22 | N2 | C21 | H25 | 60.0° | 120.0° |
| N2 | C22 | H26 | H27 | 120.0° | 120.0° |
| N2 | C22 | H26 | H28 | 120.0° | 120.0° |
| N2 | C22 | H27 | H28 | 120.0° | 120.0° |
| C21 | N2 | C20 | C23 | 177.9° | 180.0° |
| C21 | N2 | C20 | C19 | 0.9° | 0.0° |
| N2 | C21 | H23 | H24 | 120.0° | 120.0° |
| N2 | C21 | H23 | H25 | 120.0° | 120.0° |
| N2 | C21 | H24 | H25 | 120.0° | 120.0° |
| C21 | N2 | C22 | H26 | 180.0° | 90.0° |
| C21 | N2 | C22 | H27 | 60.0° | 150.0° |
| C21 | N2 | C22 | H28 | 60.0° | 30.0° |
| N2 | C20 | C23 | C19 | 178.8° | 180.0° |
| N2 | C20 | C23 | C24 | 178.6° | 180.0° |
| N2 | C20 | C19 | C18 | 179.2° | 180.0° |
| N2 | C20 | C19 | H22 | 0.8° | 0.1° |
| C20 | N2 | C21 | H23 | 17.9° | 60.0° |
| C20 | N2 | C21 | H24 | 137.9° | 180.0° |
| C20 | N2 | C21 | H25 | 102.1° | 60.0° |
| C20 | N2 | C22 | H26 | 17.8° | 90.0° |
| C20 | N2 | C22 | H27 | 102.1° | 30.0° |
| C20 | N2 | C22 | H28 | 137.8° | 150.0° |
| N2 | C20 | C23 | H29 | 1.4° | 0.1° |
| C32 | N3 | C30 | C29 | 12.2° | 174.2° |
| C32 | N3 | C30 | C31 | 167.0° | 180.0° |
| C32 | N3 | C30 | C27 | 167.5° | 5.7° |
| C32 | N3 | C31 | H33 | 180.0° | 90.0° |
| C32 | N3 | C31 | H34 | 60.0° | 30.0° |
| C32 | N3 | C31 | H35 | 60.0° | 150.0° |
| N3 | C32 | H36 | H37 | 120.0° | 120.0° |
| N3 | C32 | H36 | H38 | 120.0° | 120.0° |
| N3 | C32 | H37 | H38 | 120.0° | 119.9° |
| C20 | C23 | C24 | H29 | 180.0° | 179.9° |
| C20 | C23 | C24 | O7 | 178.6° | 180.0° |
| C20 | C23 | C24 | C17 | 0.8° | 0.0° |
| C23 | C20 | C19 | C18 | 0.4° | 0.0° |
| C23 | C20 | C19 | H22 | 179.6° | 179.9° |
| C24 | C23 | C20 | C19 | 0.2° | 0.0° |
| C23 | C24 | O7 | C17 | 179.4° | 179.9° |
| C23 | C24 | O7 | C28 | 179.1° | 179.7° |
| C23 | C24 | C17 | C18 | 0.9° | 0.1° |
| C23 | C24 | C17 | C16 | 179.3° | 180.0° |
| O5 | C14 | O6 | C13 | 174.1° | 180.0° |
| O5 | C14 | C13 | C15 | 13.2° | 0.0° |
| O5 | C14 | C13 | C12 | 167.9° | 179.7° |
| O5 | C14 | O6 | H40 | 0.0° | 0.0° |
| C20 | C19 | C18 | H22 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H21 | 179.7° | 179.9° |
| C19 | C20 | C23 | H29 | 179.8° | 180.0° |
| C24 | O7 | C28 | C29 | 179.7° | 179.6° |
| C24 | O7 | C28 | C25 | 0.9° | 0.4° |
| O7 | C24 | C17 | C18 | 178.5° | 180.0° |
| O7 | C24 | C17 | C16 | 1.3° | 0.1° |
| O7 | C24 | C23 | H29 | 1.4° | 0.0° |
| O7 | C28 | C29 | C25 | 179.5° | 180.0° |
| O7 | C28 | C29 | C30 | 179.3° | 179.9° |
| C28 | O7 | C24 | C17 | 0.3° | 0.4° |
| O7 | C28 | C25 | C16 | 0.1° | 0.0° |
| O7 | C28 | C25 | C26 | 179.4° | 179.9° |
| O7 | C28 | C29 | H32 | 0.7° | 0.0° |
| C28 | C29 | C30 | H32 | 180.0° | 179.9° |
| C28 | C29 | C30 | N3 | 179.6° | 180.0° |
| C28 | C29 | C30 | C27 | 0.1° | 0.1° |
| C29 | C28 | C25 | C16 | 179.3° | 180.0° |
| C29 | C28 | C25 | C26 | 0.0° | 0.1° |
| C29 | C30 | N3 | C27 | 179.7° | 179.9° |
| C29 | C30 | N3 | C31 | 179.2° | 5.8° |
| C30 | C29 | C28 | C25 | 0.1° | 0.1° |
| C29 | C30 | C27 | C26 | 0.0° | 0.0° |
| C29 | C30 | C27 | H31 | 180.0° | 179.9° |
| N3 | C30 | C27 | C26 | 179.8° | 179.9° |
| N3 | C30 | C27 | H31 | 0.3° | 0.0° |
| N3 | C30 | C29 | H32 | 0.4° | 0.1° |
| C30 | N3 | C31 | H33 | 12.6° | 90.0° |
| C30 | N3 | C31 | H34 | 107.4° | 150.0° |
| C30 | N3 | C31 | H35 | 132.7° | 30.0° |
| C30 | N3 | C32 | H36 | 180.0° | 5.1° |
| C30 | N3 | C32 | H37 | 60.0° | 125.0° |
| C30 | N3 | C32 | H38 | 60.0° | 115.0° |
| C31 | N3 | C30 | C27 | 0.5° | 174.3° |
| N3 | C31 | H33 | H34 | 120.0° | 119.9° |
| N3 | C31 | H33 | H35 | 120.0° | 120.0° |
| N3 | C31 | H34 | H35 | 120.0° | 120.0° |
| C31 | N3 | C32 | H36 | 12.6° | 174.9° |
| C31 | N3 | C32 | H37 | 107.3° | 54.9° |
| C31 | N3 | C32 | H38 | 132.7° | 65.0° |
| C24 | C17 | C18 | C19 | 0.3° | 0.1° |
| C24 | C17 | C18 | C16 | 179.8° | 179.9° |
| C24 | C17 | C16 | C25 | 2.3° | 0.2° |
| C24 | C17 | C16 | C15 | 170.4° | 180.0° |
| C24 | C17 | C18 | H21 | 179.7° | 180.0° |
| C17 | C24 | C23 | H29 | 179.2° | 179.9° |
| C28 | C25 | C16 | C17 | 1.7° | 0.3° |
| C28 | C25 | C16 | C26 | 179.3° | 179.9° |
| C28 | C25 | C26 | C27 | 0.2° | 0.0° |
| C28 | C25 | C16 | C15 | 171.3° | 180.0° |
| C28 | C25 | C26 | H30 | 179.9° | 180.0° |
| C25 | C28 | C29 | H32 | 179.8° | 180.0° |
| C30 | C27 | C26 | C25 | 0.2° | 0.0° |
| C30 | C27 | C26 | H31 | 180.0° | 179.9° |
| C30 | C27 | C26 | H30 | 179.8° | 180.0° |
| C27 | C30 | C29 | H32 | 179.9° | 180.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| O6 | C14 | C13 | C15 | 172.4° | 180.0° |
| O6 | C14 | C13 | C12 | 6.5° | 0.3° |
| C14 | C13 | C15 | C16 | 4.9° | 0.3° |
| C14 | C13 | C15 | C12 | 178.9° | 179.7° |
| C14 | C13 | C15 | C33 | 178.6° | 180.0° |
| C14 | C13 | C12 | C11 | 178.6° | 179.8° |
| C14 | C13 | C12 | H20 | 1.4° | 0.3° |
| C13 | C14 | O6 | H40 | 174.1° | 180.0° |
| C18 | C17 | C16 | C25 | 177.5° | 179.7° |
| C18 | C17 | C16 | C15 | 9.8° | 0.0° |
| C17 | C18 | C19 | H22 | 179.7° | 179.9° |
| C17 | C16 | C25 | C15 | 172.9° | 179.7° |
| C17 | C16 | C25 | C26 | 179.0° | 179.8° |
| C17 | C16 | C15 | C13 | 71.3° | 105.0° |
| C17 | C16 | C15 | C33 | 105.3° | 75.3° |
| C16 | C17 | C18 | H21 | 0.1° | 0.1° |
| C16 | C25 | C26 | C27 | 179.1° | 179.9° |
| C25 | C16 | C15 | C13 | 116.0° | 74.7° |
| C25 | C16 | C15 | C33 | 67.4° | 105.0° |
| C16 | C25 | C26 | H30 | 0.9° | 0.0° |
| C25 | C26 | C27 | H30 | 180.0° | 180.0° |
| C26 | C25 | C16 | C15 | 8.0° | 0.1° |
| C25 | C26 | C27 | H31 | 179.8° | 180.0° |
| C16 | C15 | C13 | C33 | 176.5° | 179.7° |
| C16 | C15 | C13 | C12 | 174.0° | 180.0° |
| C16 | C15 | C33 | C10 | 176.1° | 179.8° |
| C16 | C15 | C33 | H39 | 4.0° | 0.3° |
| C15 | C13 | C12 | C11 | 2.3° | 0.0° |
| C13 | C15 | C33 | C10 | 0.7° | 0.5° |
| C15 | C13 | C12 | H20 | 177.6° | 180.0° |
| C13 | C15 | C33 | H39 | 179.3° | 180.0° |
| C12 | C13 | C15 | C33 | 2.5° | 0.3° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H19 | 179.6° | 180.0° |
| C15 | C33 | C10 | H39 | 180.0° | 179.5° |
| C15 | C33 | C10 | C11 | 1.3° | 0.5° |
| C15 | C33 | C10 | C | 177.4° | 179.7° |
| C12 | C11 | C10 | C33 | 1.4° | 0.3° |
| C12 | C11 | C10 | H19 | 180.0° | 179.9° |
| C12 | C11 | C10 | C | 177.2° | 179.9° |
| C33 | C10 | C11 | C | 178.6° | 179.8° |
| C33 | C10 | C | O | 20.0° | 0.2° |
| C33 | C10 | C | N | 159.0° | 179.7° |
| C33 | C10 | C11 | H19 | 178.6° | 179.8° |
| C11 | C10 | C | O | 161.3° | 179.9° |
| C11 | C10 | C | N | 19.6° | 0.1° |
| C10 | C11 | C12 | H20 | 179.6° | 180.0° |
| C11 | C10 | C33 | H39 | 178.8° | 180.0° |
| C10 | C | O | N | 179.0° | 179.9° |
| C10 | C | N | C1 | 177.8° | 180.0° |
| C10 | C | N | H18 | 2.2° | 0.1° |
| C | C10 | C11 | H19 | 2.8° | 0.0° |
| C | C10 | C33 | H39 | 2.5° | 0.2° |
| O | C | N | C1 | 1.2° | 0.1° |
| O | C | N | H18 | 178.7° | 180.0° |
| C | N | C1 | H18 | 180.0° | 179.9° |
| C | N | C1 | C2 | 74.1° | 180.0° |
| C | N | C1 | H6 | 165.5° | 60.0° |
| C | N | C1 | H7 | 46.2° | 60.0° |
| N | C1 | C2 | H6 | 120.3° | 120.0° |
| N | C1 | C2 | H7 | 120.3° | 120.0° |
| N | C1 | C2 | O1 | 171.3° | 65.0° |
| N | C1 | H6 | H7 | 119.0° | 120.0° |
| N | C1 | C2 | H16 | 51.3° | 55.0° |
| N | C1 | C2 | H17 | 68.7° | 175.0° |
| C1 | C2 | O1 | H16 | 120.0° | 120.0° |
| C1 | C2 | O1 | H17 | 120.0° | 119.9° |
| C1 | C2 | O1 | C3 | 142.1° | 180.0° |
| C2 | C1 | H6 | H7 | 119.0° | 120.0° |
| C1 | C2 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | N | H18 | 105.9° | 0.0° |
| C2 | O1 | C3 | C4 | 170.7° | 180.0° |
| O1 | C2 | C1 | H6 | 68.4° | 175.0° |
| O1 | C2 | C1 | H7 | 50.9° | 55.0° |
| C2 | O1 | C3 | H14 | 69.3° | 60.0° |
| C2 | O1 | C3 | H15 | 50.6° | 59.9° |
| O1 | C2 | H16 | H17 | 120.0° | 120.0° |
| O1 | C3 | C4 | H14 | 120.1° | 120.0° |
| O1 | C3 | C4 | H15 | 120.0° | 120.0° |
| O1 | C3 | C4 | O2 | 84.7° | 65.0° |
| O1 | C3 | C4 | H12 | 155.3° | 175.0° |
| O1 | C3 | C4 | H13 | 35.3° | 55.0° |
| O1 | C3 | H14 | H15 | 119.9° | 120.0° |
| C3 | O1 | C2 | H16 | 97.9° | 60.0° |
| C3 | O1 | C2 | H17 | 22.1° | 60.1° |
| C3 | C4 | O2 | H12 | 120.0° | 120.0° |
| C3 | C4 | O2 | H13 | 120.0° | 120.0° |
| C3 | C4 | O2 | C5 | 125.7° | 180.0° |
| C3 | C4 | H12 | H13 | 120.0° | 120.0° |
| C4 | C3 | H14 | H15 | 119.9° | 120.0° |
| C4 | O2 | C5 | C6 | 170.4° | 180.0° |
| C4 | O2 | C5 | H8 | 50.6° | 60.0° |
| C4 | O2 | C5 | H9 | 69.7° | 60.1° |
| O2 | C4 | H12 | H13 | 119.9° | 120.0° |
| O2 | C4 | C3 | H14 | 35.3° | 55.0° |
| O2 | C4 | C3 | H15 | 155.3° | 174.9° |
| O2 | C5 | C6 | H8 | 119.8° | 120.0° |
| O2 | C5 | C6 | H9 | 119.9° | 120.0° |
| O2 | C5 | C6 | C7 | 172.8° | 180.0° |
| O2 | C5 | H8 | H9 | 120.5° | 120.0° |
| O2 | C5 | C6 | H10 | 52.3° | 60.0° |
| O2 | C5 | C6 | H11 | 66.6° | 60.0° |
| C5 | O2 | C4 | H12 | 114.3° | 60.0° |
| C5 | O2 | C4 | H13 | 5.7° | 60.0° |
| C5 | C6 | C7 | H10 | 120.6° | 120.0° |
| C5 | C6 | C7 | H11 | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 83.3° | 180.0° |
| C5 | C6 | C7 | H2 | 37.2° | 60.0° |
| C5 | C6 | C7 | H3 | 156.1° | 60.0° |
| C6 | C5 | H8 | H9 | 120.4° | 120.0° |
| C5 | C6 | H10 | H11 | 118.3° | 120.0° |
| C6 | C7 | C8 | H2 | 120.6° | 119.9° |
| C6 | C7 | C8 | H3 | 120.6° | 120.0° |
| C6 | C7 | C8 | N1 | 176.8° | 180.0° |
| C6 | C7 | H2 | H3 | 118.3° | 120.0° |
| C6 | C7 | C8 | H4 | 56.5° | 60.1° |
| C6 | C7 | C8 | H5 | 62.9° | 60.0° |
| C7 | C6 | C5 | H8 | 67.3° | 60.1° |
| C7 | C6 | C5 | H9 | 53.0° | 60.0° |
| C7 | C6 | H10 | H11 | 118.3° | 120.0° |
| C7 | C8 | N1 | H4 | 120.3° | 120.0° |
| C7 | C8 | N1 | H5 | 120.3° | 120.0° |
| C7 | C8 | N1 | S | 89.1° | 165.0° |
| C7 | C8 | N1 | H1 | 32.8° | 15.3° |
| C8 | C7 | H2 | H3 | 118.3° | 120.0° |
| C7 | C8 | H4 | H5 | 119.2° | 120.0° |
| C8 | C7 | C6 | H10 | 156.1° | 60.0° |
| C8 | C7 | C6 | H11 | 37.2° | 60.0° |
| O3 | S | N1 | C8 | 44.5° | 51.3° |
| O3 | S | N1 | O4 | 135.4° | 127.9° |
| O3 | S | N1 | C9 | 112.2° | 116.0° |
| O3 | S | O4 | C9 | 116.4° | 131.5° |
| O3 | S | C9 | F1 | 53.1° | 51.6° |
| O3 | S | C9 | F | 66.8° | 171.6° |
| O3 | S | C9 | F2 | 173.3° | 68.4° |
| O3 | S | N1 | H1 | 77.3° | 129.0° |
| C8 | N1 | S | H1 | 121.8° | 179.7° |
| C8 | N1 | S | O4 | 179.9° | 179.2° |
| C8 | N1 | S | C9 | 67.7° | 64.7° |
| N1 | C8 | C7 | H2 | 62.6° | 60.0° |
| N1 | C8 | C7 | H3 | 56.2° | 60.0° |
| N1 | C8 | H4 | H5 | 119.2° | 120.0° |
| N1 | S | O4 | C9 | 113.5° | 111.8° |
| N1 | S | C9 | F1 | 63.1° | 60.0° |
| N1 | S | C9 | F | 177.0° | 60.1° |
| N1 | S | C9 | F2 | 57.1° | 180.0° |
| S | N1 | C8 | H4 | 150.7° | 75.0° |
| S | N1 | C8 | H5 | 31.2° | 45.0° |
| O4 | S | C9 | F1 | 179.6° | 171.6° |
| O4 | S | C9 | F | 60.5° | 51.6° |
| O4 | S | C9 | F2 | 59.4° | 68.3° |
| O4 | S | N1 | H1 | 58.0° | 1.1° |
| S | C9 | F1 | F | 121.1° | 120.0° |
| S | C9 | F1 | F2 | 121.6° | 120.0° |
| S | C9 | F | F2 | 121.4° | 120.0° |
| C9 | S | N1 | H1 | 170.4° | 115.0° |
| F1 | C9 | F | F2 | 117.4° | 120.0° |
| H1 | N1 | C8 | H4 | 87.5° | 104.7° |
| H1 | N1 | C8 | H5 | 153.0° | 135.3° |
| H2 | C7 | C8 | H4 | 177.1° | 180.0° |
| H2 | C7 | C8 | H5 | 57.6° | 60.0° |
| H2 | C7 | C6 | H10 | 83.3° | 180.0° |
| H2 | C7 | C6 | H11 | 157.8° | 60.0° |
| H3 | C7 | C8 | H4 | 64.1° | 59.9° |
| H3 | C7 | C8 | H5 | 176.5° | 180.0° |
| H3 | C7 | C6 | H10 | 35.5° | 60.0° |
| H3 | C7 | C6 | H11 | 83.4° | 180.0° |
| H6 | C1 | C2 | H16 | 171.6° | 65.0° |
| H6 | C1 | C2 | H17 | 51.6° | 55.0° |
| H6 | C1 | N | H18 | 14.4° | 120.0° |
| H7 | C1 | C2 | H16 | 69.1° | 175.0° |
| H7 | C1 | C2 | H17 | 170.9° | 65.0° |
| H7 | C1 | N | H18 | 133.8° | 120.0° |
| H8 | C5 | C6 | H10 | 172.1° | 180.0° |
| H8 | C5 | C6 | H11 | 53.2° | 60.0° |
| H9 | C5 | C6 | H10 | 67.6° | 59.9° |
| H9 | C5 | C6 | H11 | 173.5° | 180.0° |
| H12 | C4 | C3 | H14 | 84.6° | 65.0° |
| H12 | C4 | C3 | H15 | 35.3° | 55.0° |
| H13 | C4 | C3 | H14 | 155.3° | 175.0° |
| H13 | C4 | C3 | H15 | 84.8° | 65.0° |
| H19 | C11 | C12 | H20 | 0.4° | 0.0° |
| H21 | C18 | C19 | H22 | 0.3° | 0.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.0° |
| H30 | C26 | C27 | H31 | 0.2° | 0.1° |
| H33 | C31 | H34 | H35 | 120.0° | 120.1° |
| H36 | C32 | H37 | H38 | 120.0° | 120.1° |
