DU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C23 | doub | 1.22Å | 1.23Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | N | sing | 1.46Å | 1.47Å | |
| C23 | N | sing | 1.35Å | 1.42Å | |
| C23 | C22 | sing | 1.41Å | 1.41Å | |
| N | C3 | sing | 1.34Å | 1.40Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| N4 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | C15 | sing | 1.35Å | 1.36Å | Aromatic |
| C22 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | O4 | doub | 1.22Å | 1.22Å | |
| C3 | N1 | sing | 1.35Å | 1.39Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C15 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C14 | N1 | sing | 1.39Å | 1.39Å | |
| C14 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C13 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | S | sing | 1.76Å | 1.77Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O | doub | 1.42Å | 1.45Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| C13 | H28 | sing | 1.08Å | 1.08Å | |
| C12 | H29 | sing | 1.08Å | 1.08Å | |
| C10 | H32 | sing | 1.08Å | 1.08Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| S | F1 | sing | 1.61Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C23 | N | 121.3° | 120.4° |
| O3 | C23 | C22 | 125.3° | 120.4° |
| C | C1 | C2 | 109.8° | 109.5° |
| C | C1 | H16 | 109.4° | 109.5° |
| C | C1 | H17 | 109.4° | 109.4° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C2 | N | 114.2° | 109.5° |
| C1 | C2 | H14 | 108.3° | 109.5° |
| C1 | C2 | H15 | 108.3° | 109.4° |
| C2 | C1 | H16 | 109.4° | 109.5° |
| C2 | C1 | H17 | 109.4° | 109.5° |
| C2 | N | C23 | 117.1° | 119.5° |
| C2 | N | C3 | 117.2° | 119.5° |
| N | C2 | H14 | 108.3° | 109.5° |
| N | C2 | H15 | 108.3° | 109.5° |
| N | C23 | C22 | 113.3° | 119.2° |
| C23 | N | C3 | 125.7° | 121.0° |
| C23 | C22 | N4 | 133.2° | 134.6° |
| C23 | C22 | C14 | 122.8° | 119.2° |
| N | C3 | O4 | 121.5° | 119.2° |
| N | C3 | N1 | 117.1° | 121.7° |
| C18 | C17 | C16 | 112.6° | 109.5° |
| C17 | C18 | C19 | 111.7° | 109.5° |
| C17 | C18 | H9 | 108.9° | 109.4° |
| C17 | C18 | H10 | 108.9° | 109.4° |
| C18 | C17 | H11 | 108.7° | 109.5° |
| C18 | C17 | H12 | 108.7° | 109.5° |
| C17 | C16 | C15 | 109.5° | 109.5° |
| C17 | C16 | C21 | 109.7° | 109.5° |
| C17 | C16 | H2 | 108.1° | 109.5° |
| C16 | C17 | H11 | 108.7° | 109.5° |
| C16 | C17 | H12 | 108.7° | 109.5° |
| C18 | C19 | C20 | 111.2° | 109.5° |
| C18 | C19 | H7 | 109.1° | 109.5° |
| C18 | C19 | H8 | 109.0° | 109.4° |
| C19 | C18 | H9 | 108.9° | 109.5° |
| C19 | C18 | H10 | 108.9° | 109.5° |
| C22 | N4 | C15 | 107.8° | 107.0° |
| N4 | C22 | C14 | 104.0° | 106.2° |
| C22 | N4 | H1 | 126.1° | 126.5° |
| N4 | C15 | C16 | 124.5° | 125.1° |
| N4 | C15 | N3 | 111.7° | 109.7° |
| C15 | N4 | H1 | 126.1° | 126.5° |
| C22 | C14 | N1 | 121.4° | 118.9° |
| C22 | C14 | N3 | 112.0° | 107.2° |
| O4 | C3 | N1 | 121.4° | 119.2° |
| C3 | N1 | C14 | 119.7° | 120.1° |
| C3 | N1 | C4 | 118.0° | 119.9° |
| C16 | C15 | N3 | 123.8° | 125.2° |
| C15 | C16 | C21 | 112.7° | 109.5° |
| C15 | C16 | H2 | 108.7° | 109.4° |
| C15 | N3 | C14 | 104.4° | 109.8° |
| N1 | C14 | N3 | 126.6° | 133.9° |
| C14 | N1 | C4 | 122.3° | 120.0° |
| C16 | C21 | C20 | 112.1° | 109.5° |
| C21 | C16 | H2 | 108.1° | 109.4° |
| C16 | C21 | H3 | 108.8° | 109.4° |
| C16 | C21 | H4 | 108.8° | 109.5° |
| N1 | C4 | C5 | 113.2° | 109.4° |
| N1 | C4 | H21 | 108.5° | 109.5° |
| N1 | C4 | H22 | 108.5° | 109.5° |
| C19 | C20 | C21 | 111.9° | 109.4° |
| C19 | C20 | H5 | 108.9° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.5° |
| C20 | C19 | H7 | 109.0° | 109.5° |
| C20 | C19 | H8 | 109.0° | 109.4° |
| C20 | C21 | H3 | 108.8° | 109.5° |
| C20 | C21 | H4 | 108.8° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.4° |
| C21 | C20 | H6 | 108.9° | 109.4° |
| C4 | C5 | C6 | 113.0° | 109.5° |
| C5 | C4 | H21 | 108.5° | 109.5° |
| C5 | C4 | H22 | 108.5° | 109.4° |
| C4 | C5 | H23 | 108.6° | 109.5° |
| C4 | C5 | H24 | 108.6° | 109.4° |
| C5 | C6 | N2 | 112.4° | 109.5° |
| C6 | C5 | H23 | 108.6° | 109.5° |
| C6 | C5 | H24 | 108.6° | 109.5° |
| C5 | C6 | H25 | 108.7° | 109.5° |
| C5 | C6 | H26 | 108.7° | 109.4° |
| C6 | N2 | C7 | 122.1° | 119.9° |
| N2 | C6 | H25 | 108.7° | 109.5° |
| N2 | C6 | H26 | 108.8° | 109.4° |
| C6 | N2 | H27 | 118.9° | 120.0° |
| N2 | C7 | O2 | 121.8° | 120.1° |
| N2 | C7 | C8 | 117.8° | 120.0° |
| C7 | N2 | H27 | 118.9° | 120.1° |
| O2 | C7 | C8 | 120.4° | 120.0° |
| C7 | C8 | C13 | 122.8° | 120.1° |
| C7 | C8 | C9 | 118.9° | 120.1° |
| C8 | C13 | C12 | 121.0° | 119.8° |
| C13 | C8 | C9 | 118.3° | 119.8° |
| C8 | C13 | H28 | 119.5° | 120.1° |
| C13 | C12 | C11 | 119.5° | 120.2° |
| C12 | C13 | H28 | 119.5° | 120.1° |
| C13 | C12 | H29 | 120.3° | 119.9° |
| C8 | C9 | C10 | 121.0° | 119.9° |
| C8 | C9 | H33 | 119.5° | 120.1° |
| C12 | C11 | C10 | 120.6° | 120.3° |
| C12 | C11 | S | 120.4° | 119.9° |
| C11 | C12 | H29 | 120.2° | 119.9° |
| C9 | C10 | C11 | 119.5° | 120.2° |
| C9 | C10 | H32 | 120.2° | 119.9° |
| C10 | C9 | H33 | 119.5° | 120.1° |
| C10 | C11 | S | 119.0° | 119.9° |
| C11 | C10 | H32 | 120.3° | 119.9° |
| C11 | S | O1 | 107.0° | 106.4° |
| C11 | S | O | 106.8° | 106.4° |
| C11 | S | F1 | 105.8° | 107.2° |
| O1 | S | O | 116.8° | 123.2° |
| O1 | S | F1 | 110.1° | 106.4° |
| O | S | F1 | 109.6° | 106.4° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.4° | 109.5° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.4° |
| H21 | C4 | H22 | 109.5° | 109.5° |
| H23 | C5 | H24 | 109.5° | 109.4° |
| H25 | C6 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C23 | N | C2 | 1.6° | 0.5° |
| O3 | C23 | N | C22 | 179.8° | 179.5° |
| O3 | C23 | N | C3 | 179.8° | 180.0° |
| O3 | C23 | C22 | N4 | 0.1° | 0.2° |
| O3 | C23 | C22 | C14 | 179.9° | 179.7° |
| C | C1 | C2 | H16 | 120.0° | 120.0° |
| C | C1 | C2 | H17 | 120.0° | 119.9° |
| C | C1 | C2 | N | 177.4° | 180.0° |
| C | C1 | C2 | H14 | 56.7° | 59.9° |
| C | C1 | C2 | H15 | 61.9° | 60.0° |
| C | C1 | H16 | H17 | 119.9° | 119.9° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C2 | N | H14 | 120.7° | 120.0° |
| C1 | C2 | N | H15 | 120.7° | 119.9° |
| C1 | C2 | N | C23 | 82.6° | 90.0° |
| C1 | C2 | N | C3 | 99.1° | 90.5° |
| C1 | C2 | H14 | H15 | 117.9° | 120.0° |
| C2 | C1 | H16 | H17 | 119.9° | 120.0° |
| C2 | C1 | C | H18 | 180.0° | 180.0° |
| C2 | C1 | C | H19 | 60.0° | 59.9° |
| C2 | C1 | C | H20 | 60.0° | 60.0° |
| C2 | N | C23 | C3 | 178.2° | 179.5° |
| C2 | N | C23 | C22 | 178.5° | 180.0° |
| C2 | N | C3 | O4 | 1.3° | 0.2° |
| C2 | N | C3 | N1 | 178.6° | 179.9° |
| N | C2 | H14 | H15 | 117.8° | 120.0° |
| N | C2 | C1 | H16 | 62.5° | 60.0° |
| N | C2 | C1 | H17 | 57.4° | 60.1° |
| N | C23 | C22 | N4 | 179.7° | 179.7° |
| N | C23 | C22 | C14 | 0.1° | 0.2° |
| C23 | N | C3 | O4 | 179.5° | 179.7° |
| C23 | N | C3 | N1 | 0.5° | 0.5° |
| C23 | N | C2 | H14 | 156.7° | 150.0° |
| C23 | N | C2 | H15 | 38.1° | 30.0° |
| C22 | C23 | N | C3 | 0.4° | 0.5° |
| C23 | C22 | N4 | C14 | 179.9° | 180.0° |
| C23 | C22 | N4 | C15 | 179.8° | 180.0° |
| C23 | C22 | C14 | N1 | 0.0° | 0.0° |
| C23 | C22 | C14 | N3 | 180.0° | 180.0° |
| C23 | C22 | N4 | H1 | 0.2° | 0.0° |
| N | C3 | O4 | N1 | 179.9° | 179.8° |
| N | C3 | N1 | C14 | 0.3° | 0.3° |
| N | C3 | N1 | C4 | 179.1° | 179.8° |
| C3 | N | C2 | H14 | 21.6° | 29.6° |
| C3 | N | C2 | H15 | 140.2° | 149.6° |
| C18 | C17 | C16 | H11 | 120.5° | 120.1° |
| C18 | C17 | C16 | H12 | 120.5° | 120.0° |
| C17 | C18 | C19 | H9 | 120.3° | 120.0° |
| C17 | C18 | C19 | H10 | 120.3° | 119.9° |
| C18 | C17 | C16 | C15 | 164.5° | 180.0° |
| C18 | C17 | C16 | C21 | 40.3° | 60.0° |
| C17 | C18 | C19 | C20 | 62.3° | 60.0° |
| C18 | C17 | C16 | H2 | 77.4° | 60.0° |
| C17 | C18 | C19 | H7 | 58.0° | 60.1° |
| C17 | C18 | C19 | H8 | 177.5° | 179.9° |
| C17 | C18 | H9 | H10 | 119.0° | 119.9° |
| C18 | C17 | H11 | H12 | 118.5° | 120.0° |
| C16 | C17 | C18 | C19 | 19.2° | 60.0° |
| C17 | C16 | C15 | N4 | 69.9° | 35.0° |
| C17 | C16 | C15 | C21 | 122.4° | 120.1° |
| C17 | C16 | C15 | H2 | 117.8° | 120.0° |
| C17 | C16 | C15 | N3 | 109.2° | 144.9° |
| C17 | C16 | C21 | H2 | 117.6° | 120.0° |
| C17 | C16 | C21 | C20 | 62.2° | 60.0° |
| C17 | C16 | C21 | H3 | 58.2° | 60.0° |
| C17 | C16 | C21 | H4 | 177.4° | 180.0° |
| C16 | C17 | C18 | H9 | 139.6° | 180.0° |
| C16 | C17 | C18 | H10 | 101.1° | 60.0° |
| C16 | C17 | H11 | H12 | 118.6° | 120.0° |
| C18 | C19 | C20 | H7 | 120.3° | 120.1° |
| C18 | C19 | C20 | H8 | 120.3° | 119.9° |
| C18 | C19 | C20 | C21 | 40.4° | 60.1° |
| C18 | C19 | C20 | H5 | 160.7° | 180.0° |
| C18 | C19 | C20 | H6 | 80.0° | 59.9° |
| C18 | C19 | H7 | H8 | 119.2° | 120.0° |
| C19 | C18 | H9 | H10 | 119.0° | 120.1° |
| C19 | C18 | C17 | H11 | 139.7° | 180.0° |
| C19 | C18 | C17 | H12 | 101.3° | 60.0° |
| C22 | N4 | C15 | H1 | 180.0° | 180.0° |
| C22 | N4 | C15 | C16 | 179.5° | 180.0° |
| C22 | N4 | C15 | N3 | 0.3° | 0.0° |
| N4 | C22 | C14 | N1 | 179.9° | 180.0° |
| N4 | C22 | C14 | N3 | 0.1° | 0.0° |
| C15 | N4 | C22 | C14 | 0.1° | 0.0° |
| N4 | C15 | C16 | N3 | 179.1° | 180.0° |
| N4 | C15 | N3 | C14 | 0.4° | 0.0° |
| N4 | C15 | C16 | C21 | 52.5° | 85.0° |
| N4 | C15 | C16 | H2 | 172.3° | 155.0° |
| C22 | C14 | N1 | C3 | 0.0° | 0.1° |
| C22 | C14 | N3 | C15 | 0.3° | 0.0° |
| C22 | C14 | N1 | N3 | 179.9° | 179.9° |
| C22 | C14 | N1 | C4 | 178.8° | 179.9° |
| C14 | C22 | N4 | H1 | 179.9° | 180.0° |
| O4 | C3 | N1 | C14 | 179.6° | 179.9° |
| O4 | C3 | N1 | C4 | 0.8° | 0.1° |
| C3 | N1 | C14 | C4 | 178.8° | 179.9° |
| C3 | N1 | C14 | N3 | 179.9° | 180.0° |
| C3 | N1 | C4 | C5 | 80.4° | 90.0° |
| C3 | N1 | C4 | H21 | 40.1° | 150.0° |
| C3 | N1 | C4 | H22 | 159.0° | 29.9° |
| C16 | C15 | N3 | C14 | 179.6° | 180.0° |
| C15 | C16 | C21 | H2 | 120.1° | 120.0° |
| C15 | C16 | C21 | C20 | 175.5° | 179.9° |
| C16 | C15 | N4 | H1 | 0.5° | 0.0° |
| C15 | C16 | C21 | H3 | 64.1° | 60.0° |
| C15 | C16 | C21 | H4 | 55.1° | 59.9° |
| C15 | C16 | C17 | H11 | 44.0° | 59.9° |
| C15 | C16 | C17 | H12 | 75.1° | 60.0° |
| C15 | N3 | C14 | N1 | 179.8° | 179.9° |
| N3 | C15 | C16 | C21 | 128.4° | 95.0° |
| N3 | C15 | N4 | H1 | 179.7° | 180.0° |
| N3 | C15 | C16 | H2 | 8.6° | 25.0° |
| C14 | N1 | C4 | C5 | 100.7° | 90.1° |
| C14 | N1 | C4 | H21 | 138.7° | 29.9° |
| C14 | N1 | C4 | H22 | 19.8° | 150.0° |
| N3 | C14 | N1 | C4 | 1.1° | 0.2° |
| C16 | C21 | C20 | C19 | 20.2° | 60.0° |
| C16 | C21 | C20 | H3 | 120.4° | 120.0° |
| C16 | C21 | C20 | H4 | 120.4° | 120.0° |
| C16 | C21 | H3 | H4 | 118.8° | 120.0° |
| C16 | C21 | C20 | H5 | 100.2° | 180.0° |
| C16 | C21 | C20 | H6 | 140.5° | 60.0° |
| C21 | C16 | C17 | H11 | 80.1° | 180.0° |
| C21 | C16 | C17 | H12 | 160.8° | 60.0° |
| N1 | C4 | C5 | H21 | 120.6° | 120.0° |
| N1 | C4 | C5 | H22 | 120.5° | 120.0° |
| N1 | C4 | C5 | C6 | 174.7° | 180.0° |
| N1 | C4 | H21 | H22 | 118.3° | 120.1° |
| N1 | C4 | C5 | H23 | 64.8° | 60.0° |
| N1 | C4 | C5 | H24 | 54.2° | 60.0° |
| C19 | C20 | C21 | H5 | 120.4° | 120.0° |
| C19 | C20 | C21 | H6 | 120.4° | 120.0° |
| C19 | C20 | C21 | H3 | 100.2° | 60.0° |
| C19 | C20 | C21 | H4 | 140.6° | 180.0° |
| C19 | C20 | H5 | H6 | 118.9° | 120.1° |
| C20 | C19 | H7 | H8 | 119.2° | 119.9° |
| C20 | C19 | C18 | H9 | 177.4° | 180.0° |
| C20 | C19 | C18 | H10 | 58.1° | 59.9° |
| C20 | C21 | C16 | H2 | 55.4° | 60.0° |
| C20 | C21 | H3 | H4 | 118.8° | 120.0° |
| C21 | C20 | H5 | H6 | 118.9° | 120.0° |
| C21 | C20 | C19 | H7 | 79.9° | 60.0° |
| C21 | C20 | C19 | H8 | 160.6° | 180.0° |
| C4 | C5 | C6 | H23 | 120.5° | 120.1° |
| C4 | C5 | C6 | H24 | 120.5° | 120.0° |
| C4 | C5 | C6 | N2 | 85.7° | 180.0° |
| C5 | C4 | H21 | H22 | 118.3° | 120.0° |
| C4 | C5 | H23 | H24 | 118.4° | 119.9° |
| C4 | C5 | C6 | H25 | 153.9° | 60.0° |
| C4 | C5 | C6 | H26 | 34.7° | 60.1° |
| C5 | C6 | N2 | H25 | 120.4° | 120.1° |
| C5 | C6 | N2 | H26 | 120.4° | 119.9° |
| C5 | C6 | N2 | C7 | 151.3° | 180.0° |
| C6 | C5 | C4 | H21 | 54.1° | 60.0° |
| C6 | C5 | C4 | H22 | 64.8° | 60.1° |
| C6 | C5 | H23 | H24 | 118.4° | 120.0° |
| C5 | C6 | H25 | H26 | 118.7° | 120.0° |
| C5 | C6 | N2 | H27 | 28.7° | 0.1° |
| C6 | N2 | C7 | H27 | 180.0° | 179.9° |
| C6 | N2 | C7 | O2 | 0.6° | 0.0° |
| C6 | N2 | C7 | C8 | 179.3° | 179.9° |
| N2 | C6 | C5 | H23 | 34.8° | 59.9° |
| N2 | C6 | C5 | H24 | 153.8° | 60.1° |
| N2 | C6 | H25 | H26 | 118.7° | 120.0° |
| N2 | C7 | O2 | C8 | 178.7° | 179.9° |
| N2 | C7 | C8 | C13 | 28.7° | 0.2° |
| N2 | C7 | C8 | C9 | 153.7° | 180.0° |
| C7 | N2 | C6 | H25 | 30.9° | 60.0° |
| C7 | N2 | C6 | H26 | 88.2° | 60.1° |
| O2 | C7 | C8 | C13 | 150.1° | 179.7° |
| O2 | C7 | C8 | C9 | 27.5° | 0.1° |
| O2 | C7 | N2 | H27 | 179.5° | 180.0° |
| C7 | C8 | C13 | C9 | 177.7° | 179.8° |
| C7 | C8 | C13 | C12 | 179.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.0° | 179.7° |
| C8 | C7 | N2 | H27 | 0.7° | 0.0° |
| C7 | C8 | C13 | H28 | 1.0° | 0.0° |
| C7 | C8 | C9 | H33 | 1.0° | 0.1° |
| C8 | C13 | C12 | H28 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.8° | 0.1° |
| C13 | C8 | C9 | C10 | 1.2° | 0.5° |
| C8 | C13 | C12 | H29 | 179.2° | 180.0° |
| C13 | C8 | C9 | H33 | 178.8° | 179.7° |
| C12 | C13 | C8 | C9 | 1.3° | 0.2° |
| C13 | C12 | C11 | H29 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | S | 179.8° | 180.0° |
| C8 | C9 | C10 | H33 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.6° | 0.5° |
| C9 | C8 | C13 | H28 | 178.7° | 179.8° |
| C8 | C9 | C10 | H32 | 179.4° | 179.8° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C12 | C11 | C10 | S | 180.0° | 179.9° |
| C12 | C11 | S | O1 | 19.7° | 43.0° |
| C12 | C11 | S | O | 145.6° | 90.0° |
| C11 | C12 | C13 | H28 | 179.2° | 180.0° |
| C12 | C11 | C10 | H32 | 179.9° | 180.0° |
| C12 | C11 | S | F1 | 97.7° | 156.5° |
| C9 | C10 | C11 | H32 | 180.0° | 179.8° |
| C9 | C10 | C11 | S | 179.9° | 179.7° |
| C10 | C11 | S | O1 | 160.3° | 137.1° |
| C10 | C11 | S | O | 34.4° | 90.0° |
| C10 | C11 | C12 | H29 | 179.9° | 180.0° |
| C11 | C10 | C9 | H33 | 179.4° | 179.7° |
| C10 | C11 | S | F1 | 82.3° | 23.6° |
| C11 | S | O1 | O | 119.6° | 122.9° |
| C11 | S | O1 | F1 | 114.5° | 114.1° |
| C11 | S | O | F1 | 114.1° | 114.1° |
| S | C11 | C12 | H29 | 0.2° | 0.0° |
| S | C11 | C10 | H32 | 0.1° | 0.0° |
| O1 | S | O | F1 | 126.1° | 123.0° |
| H2 | C16 | C21 | H3 | 175.8° | 180.0° |
| H2 | C16 | C21 | H4 | 65.0° | 60.0° |
| H2 | C16 | C17 | H11 | 162.2° | 60.0° |
| H2 | C16 | C17 | H12 | 43.1° | 180.0° |
| H3 | C21 | C20 | H5 | 139.4° | 60.0° |
| H3 | C21 | C20 | H6 | 20.2° | 180.0° |
| H4 | C21 | C20 | H5 | 20.2° | 60.0° |
| H4 | C21 | C20 | H6 | 99.1° | 60.0° |
| H5 | C20 | C19 | H7 | 40.5° | 59.9° |
| H5 | C20 | C19 | H8 | 79.0° | 60.1° |
| H6 | C20 | C19 | H7 | 159.7° | 180.0° |
| H6 | C20 | C19 | H8 | 40.3° | 60.0° |
| H7 | C19 | C18 | H9 | 62.3° | 59.9° |
| H7 | C19 | C18 | H10 | 178.3° | 180.0° |
| H8 | C19 | C18 | H9 | 57.2° | 60.1° |
| H8 | C19 | C18 | H10 | 62.2° | 60.0° |
| H9 | C18 | C17 | H11 | 100.0° | 59.9° |
| H9 | C18 | C17 | H12 | 19.1° | 60.0° |
| H10 | C18 | C17 | H11 | 19.4° | 60.0° |
| H10 | C18 | C17 | H12 | 138.4° | 180.0° |
| H14 | C2 | C1 | H16 | 176.8° | 180.0° |
| H14 | C2 | C1 | H17 | 63.3° | 60.0° |
| H15 | C2 | C1 | H16 | 58.2° | 60.0° |
| H15 | C2 | C1 | H17 | 178.1° | 179.9° |
| H16 | C1 | C | H18 | 60.0° | 59.9° |
| H16 | C1 | C | H19 | 60.0° | 180.0° |
| H16 | C1 | C | H20 | 180.0° | 60.1° |
| H17 | C1 | C | H18 | 60.0° | 60.1° |
| H17 | C1 | C | H19 | 179.9° | 60.0° |
| H17 | C1 | C | H20 | 60.1° | 179.9° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
| H21 | C4 | C5 | H23 | 174.6° | 180.0° |
| H21 | C4 | C5 | H24 | 66.4° | 60.0° |
| H22 | C4 | C5 | H23 | 55.7° | 60.0° |
| H22 | C4 | C5 | H24 | 174.7° | 180.0° |
| H23 | C5 | C6 | H25 | 85.6° | 180.0° |
| H23 | C5 | C6 | H26 | 155.3° | 60.0° |
| H24 | C5 | C6 | H25 | 33.4° | 60.0° |
| H24 | C5 | C6 | H26 | 85.8° | 180.0° |
| H25 | C6 | N2 | H27 | 149.1° | 120.0° |
| H26 | C6 | N2 | H27 | 91.7° | 120.0° |
| H28 | C13 | C12 | H29 | 0.8° | 0.0° |
| H32 | C10 | C9 | H33 | 0.6° | 0.0° |
