29M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C11 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C8 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.45Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C25 | C | sing | 1.51Å | 1.49Å | |
| C13 | O | sing | 1.36Å | 1.40Å | |
| C7 | C | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | N1 | sing | 1.47Å | 1.48Å | |
| O | C14 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C15 | sing | 1.51Å | 1.48Å | |
| C4 | N | sing | 1.37Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | N1 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C16 | sing | 1.47Å | 1.49Å | |
| C2 | N2 | sing | 1.40Å | 1.44Å | |
| O2 | S | doub | 1.42Å | 1.45Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | S | sing | 1.81Å | 1.76Å | |
| S | N2 | sing | 1.66Å | 1.72Å | |
| S | O1 | doub | 1.42Å | 1.45Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C11 | C10 | 119.8° | 119.9° |
| F | C11 | C12 | 119.0° | 119.9° |
| C11 | C10 | C9 | 119.8° | 120.2° |
| C10 | C11 | C12 | 121.2° | 120.3° |
| C11 | C10 | H7 | 120.1° | 119.9° |
| C10 | C9 | C8 | 119.8° | 120.0° |
| C10 | C9 | H6 | 120.1° | 120.1° |
| C9 | C10 | H7 | 120.1° | 119.9° |
| C11 | C12 | C13 | 118.7° | 120.1° |
| C11 | C12 | H8 | 120.7° | 119.9° |
| C9 | C8 | C13 | 119.8° | 119.7° |
| C9 | C8 | C5 | 118.5° | 120.1° |
| C8 | C9 | H6 | 120.1° | 120.0° |
| C12 | C13 | C8 | 120.7° | 119.8° |
| C12 | C13 | O | 121.4° | 120.1° |
| C13 | C12 | H8 | 120.6° | 120.0° |
| C26 | C25 | C27 | 112.0° | 109.5° |
| C26 | C25 | C | 112.9° | 109.5° |
| C26 | C25 | H27 | 106.7° | 109.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.5° | 109.4° |
| C25 | C26 | H30 | 109.4° | 109.5° |
| C13 | C8 | C5 | 121.6° | 120.2° |
| C8 | C13 | O | 117.9° | 120.0° |
| C8 | C5 | C6 | 128.8° | 126.6° |
| C8 | C5 | C4 | 124.2° | 126.6° |
| C27 | C25 | C | 111.1° | 109.4° |
| C27 | C25 | H27 | 106.7° | 109.4° |
| C25 | C27 | H31 | 109.5° | 109.5° |
| C25 | C27 | H32 | 109.5° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.4° |
| C25 | C | C7 | 115.1° | 119.7° |
| C25 | C | C1 | 123.3° | 119.8° |
| C | C25 | H27 | 106.9° | 109.5° |
| C13 | O | C14 | 113.6° | 117.0° |
| C | C7 | C6 | 118.4° | 119.9° |
| C7 | C | C1 | 121.6° | 120.5° |
| C | C7 | H5 | 120.8° | 120.0° |
| C7 | C6 | C5 | 133.4° | 134.0° |
| C7 | C6 | C3 | 118.5° | 120.0° |
| C6 | C7 | H5 | 120.8° | 120.0° |
| C | C1 | C2 | 121.3° | 120.6° |
| C | C1 | H2 | 119.4° | 119.7° |
| C6 | C5 | C4 | 106.9° | 106.8° |
| C5 | C6 | C3 | 108.1° | 106.0° |
| C5 | C4 | C15 | 132.6° | 125.1° |
| C5 | C4 | N | 107.0° | 109.7° |
| C22 | C23 | C18 | 120.3° | 120.0° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C23 | C18 | C17 | 118.8° | 120.0° |
| C23 | C18 | C19 | 119.2° | 120.0° |
| C18 | C23 | H23 | 119.9° | 120.0° |
| C6 | C3 | C2 | 124.5° | 119.3° |
| C6 | C3 | N | 106.3° | 107.4° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C18 | C17 | N1 | 114.1° | 109.5° |
| C17 | C18 | C19 | 122.0° | 120.0° |
| C18 | C17 | H17 | 108.3° | 109.5° |
| C18 | C17 | H18 | 108.3° | 109.5° |
| C17 | N1 | C15 | 112.7° | 111.0° |
| C17 | N1 | C16 | 112.4° | 111.0° |
| N1 | C17 | H17 | 108.3° | 109.5° |
| N1 | C17 | H18 | 108.3° | 109.4° |
| O | C14 | H9 | 109.5° | 109.5° |
| O | C14 | H10 | 109.4° | 109.5° |
| O | C14 | H11 | 109.5° | 109.5° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C15 | C4 | N | 120.4° | 125.2° |
| C4 | C15 | N1 | 115.0° | 109.5° |
| C4 | C15 | H12 | 108.1° | 109.5° |
| C4 | C15 | H13 | 108.1° | 109.4° |
| C4 | N | C3 | 111.6° | 110.1° |
| C4 | N | H1 | 124.2° | 125.0° |
| C1 | C2 | C3 | 115.6° | 119.7° |
| C1 | C2 | N2 | 123.3° | 120.2° |
| C2 | C1 | H2 | 119.4° | 119.7° |
| C2 | C3 | N | 129.2° | 133.3° |
| C3 | C2 | N2 | 121.0° | 120.2° |
| C3 | N | H1 | 124.2° | 124.9° |
| C15 | N1 | C16 | 111.2° | 111.0° |
| N1 | C15 | H12 | 108.1° | 109.5° |
| N1 | C15 | H13 | 108.1° | 109.4° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| N1 | C16 | H14 | 109.5° | 109.4° |
| N1 | C16 | H15 | 109.5° | 109.5° |
| N1 | C16 | H16 | 109.5° | 109.5° |
| C2 | N2 | S | 119.9° | 120.0° |
| C2 | N2 | H4 | 106.8° | 120.0° |
| O2 | S | C24 | 108.2° | 110.5° |
| O2 | S | N2 | 111.9° | 104.3° |
| O2 | S | O1 | 116.4° | 121.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C24 | S | N2 | 99.0° | 104.4° |
| C24 | S | O1 | 111.5° | 110.6° |
| S | C24 | H24 | 109.5° | 109.5° |
| S | C24 | H25 | 109.5° | 109.5° |
| S | C24 | H26 | 109.5° | 109.5° |
| N2 | S | O1 | 108.5° | 104.3° |
| S | N2 | H4 | 106.8° | 120.0° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H26 | 109.4° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.4° | 109.5° |
| H31 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C11 | C10 | C12 | 179.9° | 180.0° |
| F | C11 | C10 | C9 | 179.3° | 179.9° |
| F | C11 | C12 | C13 | 179.4° | 179.9° |
| F | C11 | C10 | H7 | 0.7° | 0.0° |
| F | C11 | C12 | H8 | 0.6° | 0.0° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | H6 | 179.9° | 180.0° |
| C10 | C11 | C12 | H8 | 179.5° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.1° |
| C10 | C9 | C8 | H6 | 180.0° | 179.9° |
| C10 | C9 | C8 | C13 | 0.9° | 0.1° |
| C10 | C9 | C8 | C5 | 179.5° | 179.7° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.3° | 0.1° |
| C11 | C12 | C13 | O | 179.6° | 179.7° |
| C12 | C11 | C10 | H7 | 179.3° | 180.0° |
| C9 | C8 | C13 | C12 | 1.0° | 0.0° |
| C9 | C8 | C13 | C5 | 179.6° | 179.8° |
| C9 | C8 | C13 | O | 178.9° | 179.7° |
| C9 | C8 | C5 | C6 | 55.3° | 90.2° |
| C9 | C8 | C5 | C4 | 126.5° | 89.8° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C12 | C13 | C8 | O | 179.9° | 179.7° |
| C12 | C13 | C8 | C5 | 179.4° | 179.7° |
| C12 | C13 | O | C14 | 5.7° | 0.3° |
| C26 | C25 | C27 | C | 127.3° | 120.0° |
| C26 | C25 | C27 | H27 | 116.5° | 120.0° |
| C26 | C25 | C | H27 | 117.0° | 120.0° |
| C26 | C25 | C | C7 | 115.5° | 119.7° |
| C26 | C25 | C | C1 | 66.2° | 60.0° |
| C25 | C26 | H28 | H29 | 120.0° | 119.9° |
| C25 | C26 | H28 | H30 | 120.0° | 120.1° |
| C25 | C26 | H29 | H30 | 119.9° | 120.0° |
| C26 | C25 | C27 | H31 | 180.0° | 180.0° |
| C26 | C25 | C27 | H32 | 60.0° | 60.0° |
| C26 | C25 | C27 | H33 | 60.0° | 60.0° |
| C13 | C8 | C5 | C6 | 124.3° | 90.0° |
| C13 | C8 | C5 | C4 | 53.9° | 90.0° |
| C8 | C13 | O | C14 | 174.3° | 180.0° |
| C13 | C8 | C9 | H6 | 179.1° | 180.0° |
| C8 | C13 | C12 | H8 | 179.7° | 180.0° |
| C5 | C8 | C13 | O | 0.7° | 0.0° |
| C8 | C5 | C6 | C7 | 0.9° | 0.0° |
| C8 | C5 | C6 | C4 | 178.4° | 180.0° |
| C8 | C5 | C6 | C3 | 178.0° | 180.0° |
| C8 | C5 | C4 | C15 | 1.3° | 0.0° |
| C8 | C5 | C4 | N | 177.9° | 180.0° |
| C5 | C8 | C9 | H6 | 0.5° | 0.2° |
| C27 | C25 | C | H27 | 116.1° | 120.0° |
| C27 | C25 | C | C7 | 117.6° | 120.3° |
| C27 | C25 | C | C1 | 60.7° | 60.0° |
| C27 | C25 | C26 | H28 | 180.0° | 60.0° |
| C27 | C25 | C26 | H29 | 60.0° | 180.0° |
| C27 | C25 | C26 | H30 | 60.0° | 60.0° |
| C25 | C27 | H31 | H32 | 120.0° | 120.0° |
| C25 | C27 | H31 | H33 | 120.0° | 120.0° |
| C25 | C27 | H32 | H33 | 120.0° | 119.9° |
| C25 | C | C7 | C1 | 178.3° | 179.7° |
| C25 | C | C7 | C6 | 179.5° | 179.7° |
| C25 | C | C1 | C2 | 179.8° | 179.7° |
| C25 | C | C1 | H2 | 0.2° | 0.3° |
| C25 | C | C7 | H5 | 0.5° | 0.3° |
| C | C25 | C26 | H28 | 53.6° | 180.0° |
| C | C25 | C26 | H29 | 173.6° | 60.1° |
| C | C25 | C26 | H30 | 66.4° | 60.0° |
| C | C25 | C27 | H31 | 52.7° | 60.0° |
| C | C25 | C27 | H32 | 67.3° | 180.0° |
| C | C25 | C27 | H33 | 172.7° | 60.0° |
| O | C13 | C12 | H8 | 0.4° | 0.4° |
| C13 | O | C14 | H9 | 180.0° | 60.0° |
| C13 | O | C14 | H10 | 60.0° | 180.0° |
| C13 | O | C14 | H11 | 60.0° | 60.0° |
| C | C7 | C6 | H5 | 180.0° | 180.0° |
| C | C7 | C6 | C5 | 179.2° | 180.0° |
| C | C7 | C6 | C3 | 0.3° | 0.0° |
| C7 | C | C1 | C2 | 2.1° | 0.0° |
| C7 | C | C1 | H2 | 178.0° | 180.0° |
| C7 | C | C25 | H27 | 1.5° | 0.3° |
| C6 | C7 | C | C1 | 1.2° | 0.0° |
| C7 | C6 | C5 | C3 | 179.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.4° | 180.0° |
| C7 | C6 | C3 | C2 | 0.3° | 0.0° |
| C7 | C6 | C3 | N | 179.2° | 180.0° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 1.9° | 0.1° |
| C | C1 | C2 | N2 | 179.2° | 180.0° |
| C1 | C | C7 | H5 | 178.8° | 180.0° |
| C1 | C | C25 | H27 | 176.8° | 180.0° |
| C6 | C5 | C4 | C15 | 179.8° | 180.0° |
| C6 | C5 | C4 | N | 0.6° | 0.0° |
| C5 | C6 | C3 | C2 | 179.4° | 180.0° |
| C5 | C6 | C3 | N | 0.0° | 0.0° |
| C5 | C6 | C7 | H5 | 0.8° | 0.0° |
| C4 | C5 | C6 | C3 | 0.4° | 0.0° |
| C5 | C4 | C15 | N | 179.1° | 180.0° |
| C5 | C4 | N | C3 | 0.6° | 0.0° |
| C5 | C4 | C15 | N1 | 131.5° | 80.1° |
| C5 | C4 | N | H1 | 179.3° | 180.0° |
| C5 | C4 | C15 | H12 | 107.7° | 40.0° |
| C5 | C4 | C15 | H13 | 10.7° | 160.0° |
| C22 | C23 | C18 | H23 | 180.0° | 179.5° |
| C23 | C22 | C21 | H22 | 180.0° | 179.8° |
| C22 | C23 | C18 | C17 | 178.6° | 179.8° |
| C22 | C23 | C18 | C19 | 1.6° | 0.5° |
| C23 | C22 | C21 | C20 | 0.3° | 0.3° |
| C23 | C22 | C21 | H21 | 179.7° | 179.8° |
| C18 | C23 | C22 | C21 | 1.5° | 0.5° |
| C23 | C18 | C17 | C19 | 179.9° | 179.7° |
| C23 | C18 | C17 | N1 | 157.5° | 90.3° |
| C23 | C18 | C19 | C20 | 0.5° | 0.3° |
| C23 | C18 | C17 | H17 | 81.9° | 149.7° |
| C23 | C18 | C17 | H18 | 36.8° | 29.7° |
| C23 | C18 | C19 | H19 | 179.5° | 179.8° |
| C18 | C23 | C22 | H22 | 178.5° | 179.7° |
| C6 | C3 | N | C4 | 0.4° | 0.0° |
| C6 | C3 | C2 | C1 | 1.1° | 0.0° |
| C6 | C3 | C2 | N | 179.3° | 180.0° |
| C6 | C3 | C2 | N2 | 178.4° | 180.0° |
| C6 | C3 | N | H1 | 179.6° | 180.0° |
| C3 | C6 | C7 | H5 | 179.7° | 179.9° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.8° | 0.0° |
| C22 | C21 | C20 | H20 | 179.2° | 180.0° |
| C21 | C22 | C23 | H23 | 178.5° | 180.0° |
| C18 | C17 | N1 | H17 | 120.7° | 120.0° |
| C18 | C17 | N1 | H18 | 120.7° | 120.0° |
| C18 | C17 | N1 | C15 | 156.0° | 170.0° |
| C18 | C17 | N1 | C16 | 77.4° | 66.0° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C17 | H17 | H18 | 117.9° | 120.0° |
| C17 | C18 | C19 | H19 | 0.3° | 0.0° |
| C17 | C18 | C23 | H23 | 1.4° | 0.3° |
| N1 | C17 | C18 | C19 | 22.4° | 90.0° |
| C17 | N1 | C15 | C4 | 65.0° | 170.0° |
| C17 | N1 | C15 | C16 | 127.3° | 124.0° |
| C17 | N1 | C15 | H12 | 174.2° | 50.0° |
| C17 | N1 | C15 | H13 | 55.8° | 70.0° |
| C17 | N1 | C16 | H14 | 180.0° | 64.0° |
| C17 | N1 | C16 | H15 | 60.0° | 56.0° |
| C17 | N1 | C16 | H16 | 60.0° | 176.0° |
| N1 | C17 | H17 | H18 | 117.9° | 120.0° |
| O | C14 | H9 | H10 | 120.0° | 120.0° |
| O | C14 | H9 | H11 | 120.0° | 120.0° |
| O | C14 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 98.3° | 30.0° |
| C19 | C18 | C17 | H18 | 143.1° | 150.0° |
| C18 | C19 | C20 | H20 | 179.3° | 180.0° |
| C19 | C18 | C23 | H23 | 178.4° | 180.0° |
| C15 | C4 | N | C3 | 180.0° | 180.0° |
| C4 | C15 | N1 | H12 | 120.8° | 120.0° |
| C4 | C15 | N1 | H13 | 120.8° | 119.9° |
| C4 | C15 | N1 | C16 | 167.7° | 66.0° |
| C15 | C4 | N | H1 | 0.0° | 0.0° |
| C4 | C15 | H12 | H13 | 117.5° | 120.0° |
| C4 | N | C3 | C2 | 179.8° | 180.0° |
| C4 | N | C3 | H1 | 180.0° | 180.0° |
| N | C4 | C15 | N1 | 49.4° | 99.9° |
| N | C4 | C15 | H12 | 71.4° | 140.0° |
| N | C4 | C15 | H13 | 170.2° | 20.0° |
| C1 | C2 | C3 | N2 | 177.3° | 180.0° |
| C1 | C2 | C3 | N | 178.3° | 180.0° |
| C1 | C2 | N2 | S | 80.8° | 35.5° |
| C1 | C2 | N2 | H4 | 40.7° | 144.5° |
| C3 | C2 | N2 | S | 102.1° | 144.5° |
| C2 | C3 | N | H1 | 0.2° | 0.0° |
| C3 | C2 | C1 | H2 | 178.1° | 179.9° |
| C3 | C2 | N2 | H4 | 136.4° | 35.5° |
| N | C3 | C2 | N2 | 0.9° | 0.0° |
| N1 | C15 | H12 | H13 | 117.5° | 120.0° |
| C15 | N1 | C16 | H14 | 52.5° | 60.0° |
| C15 | N1 | C16 | H15 | 67.5° | 180.0° |
| C15 | N1 | C16 | H16 | 172.6° | 60.0° |
| C15 | N1 | C17 | H17 | 35.3° | 70.0° |
| C15 | N1 | C17 | H18 | 83.3° | 50.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | H19 | 179.3° | 180.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C16 | N1 | C15 | H12 | 46.9° | 174.0° |
| C16 | N1 | C15 | H13 | 71.5° | 54.0° |
| N1 | C16 | H14 | H15 | 120.0° | 120.0° |
| N1 | C16 | H14 | H16 | 120.0° | 120.0° |
| N1 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | N1 | C17 | H17 | 162.0° | 54.0° |
| C16 | N1 | C17 | H18 | 43.3° | 174.0° |
| C2 | N2 | S | O2 | 49.6° | 176.1° |
| C2 | N2 | S | C24 | 64.2° | 60.0° |
| C2 | N2 | S | H4 | 121.5° | 180.0° |
| C2 | N2 | S | O1 | 179.5° | 56.1° |
| N2 | C2 | C1 | H2 | 0.8° | 0.0° |
| O2 | S | C24 | N2 | 116.7° | 111.6° |
| O2 | S | C24 | O1 | 129.2° | 136.7° |
| O2 | S | N2 | O1 | 129.8° | 127.8° |
| O2 | S | N2 | H4 | 171.1° | 3.9° |
| O2 | S | C24 | H24 | 180.0° | 51.7° |
| O2 | S | C24 | H25 | 60.0° | 68.4° |
| O2 | S | C24 | H26 | 60.0° | 171.6° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C24 | S | N2 | O1 | 116.3° | 116.1° |
| C24 | S | N2 | H4 | 57.3° | 120.0° |
| S | C24 | H24 | H25 | 120.0° | 120.1° |
| S | C24 | H24 | H26 | 120.0° | 120.0° |
| S | C24 | H25 | H26 | 120.0° | 120.0° |
| N2 | S | C24 | H24 | 63.3° | 60.0° |
| N2 | S | C24 | H25 | 176.7° | 180.0° |
| N2 | S | C24 | H26 | 56.7° | 60.0° |
| O1 | S | N2 | H4 | 59.0° | 123.9° |
| O1 | S | C24 | H24 | 50.8° | 171.6° |
| O1 | S | C24 | H25 | 69.2° | 68.3° |
| O1 | S | C24 | H26 | 170.8° | 51.6° |
| H6 | C9 | C10 | H7 | 0.0° | 0.1° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 0.7° | 0.1° |
| H20 | C20 | C21 | H21 | 0.8° | 0.1° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| H22 | C22 | C23 | H23 | 1.5° | 0.2° |
| H24 | C24 | H25 | H26 | 120.0° | 120.0° |
| H27 | C25 | C26 | H28 | 63.5° | 60.0° |
| H27 | C25 | C26 | H29 | 56.5° | 60.0° |
| H27 | C25 | C26 | H30 | 176.5° | 180.0° |
| H27 | C25 | C27 | H31 | 63.5° | 60.0° |
| H27 | C25 | C27 | H32 | 176.5° | 60.0° |
| H27 | C25 | C27 | H33 | 56.5° | 180.0° |
| H28 | C26 | H29 | H30 | 120.0° | 120.0° |
| H31 | C27 | H32 | H33 | 120.0° | 120.0° |
