WG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| F2 | C20 | sing | 1.40Å | 1.37Å | |
| C7 | C3 | sing | 1.46Å | 1.45Å | |
| C7 | C6 | doub | 1.36Å | 1.34Å | |
| N1 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| C20 | C6 | sing | 1.51Å | 1.49Å | |
| C20 | F1 | sing | 1.40Å | 1.36Å | |
| C3 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C1 | N4 | sing | 1.38Å | 1.41Å | |
| C1 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.44Å | |
| N4 | C9 | sing | 1.46Å | 1.46Å | |
| C5 | N3 | sing | 1.35Å | 1.41Å | |
| C5 | O1 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| N3 | C8 | sing | 1.46Å | 1.45Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C8 | sing | 1.54Å | 1.57Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| C9 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | N5 | sing | 1.47Å | 1.50Å | |
| C8 | C15 | sing | 1.54Å | 1.53Å | |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| N5 | S1 | sing | 1.66Å | 1.70Å | |
| N5 | C12 | sing | 1.47Å | 1.50Å | |
| S1 | O3 | doub | 1.42Å | 1.46Å | |
| S1 | C14 | sing | 1.81Å | 1.77Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| O4 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C3 | 122.7° | 118.4° |
| C4 | N1 | C1 | 117.8° | 121.2° |
| N1 | C4 | H1 | 118.6° | 120.8° |
| C4 | C3 | C7 | 122.0° | 122.0° |
| C4 | C3 | C2 | 117.0° | 118.8° |
| C3 | C4 | H1 | 118.6° | 120.7° |
| F2 | C20 | C6 | 113.2° | 109.5° |
| F2 | C20 | F1 | 105.7° | 109.5° |
| F2 | C20 | H25 | 109.8° | 109.5° |
| C3 | C7 | C6 | 120.4° | 118.3° |
| C7 | C3 | C2 | 121.0° | 119.2° |
| C3 | C7 | H2 | 119.8° | 120.8° |
| C7 | C6 | C20 | 122.4° | 119.9° |
| C7 | C6 | C5 | 121.6° | 120.2° |
| C6 | C7 | H2 | 119.8° | 120.9° |
| N1 | C1 | N4 | 115.3° | 118.8° |
| N1 | C1 | N2 | 122.8° | 122.5° |
| C6 | C20 | F1 | 109.9° | 109.5° |
| C20 | C6 | C5 | 115.9° | 119.9° |
| C6 | C20 | H25 | 108.3° | 109.4° |
| F1 | C20 | H25 | 109.9° | 109.5° |
| C3 | C2 | N2 | 120.5° | 118.7° |
| C3 | C2 | N3 | 118.8° | 119.6° |
| C6 | C5 | N3 | 116.4° | 121.8° |
| C6 | C5 | O1 | 118.3° | 119.1° |
| C19 | C18 | O4 | 104.2° | 110.1° |
| C19 | C18 | C8 | 117.7° | 110.0° |
| C19 | C18 | C17 | 109.9° | 110.1° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.4° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| N4 | C1 | N2 | 121.9° | 118.7° |
| C1 | N4 | C9 | 114.6° | 120.0° |
| C1 | N4 | H26 | 108.2° | 120.0° |
| C1 | N2 | C2 | 119.1° | 120.3° |
| N2 | C2 | N3 | 120.7° | 121.7° |
| C2 | N3 | C5 | 121.8° | 120.9° |
| C2 | N3 | C8 | 117.5° | 119.5° |
| N4 | C9 | C10 | 108.1° | 109.5° |
| N4 | C9 | C13 | 110.5° | 109.5° |
| N4 | C9 | H18 | 109.3° | 109.5° |
| C9 | N4 | H26 | 108.2° | 119.9° |
| N3 | C5 | O1 | 125.2° | 119.1° |
| C5 | N3 | C8 | 120.4° | 119.5° |
| C9 | C10 | C11 | 110.2° | 109.3° |
| C10 | C9 | C13 | 112.5° | 109.5° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C9 | C10 | H10 | 109.3° | 109.5° |
| C10 | C9 | H18 | 108.3° | 109.4° |
| C10 | C11 | N5 | 108.9° | 108.8° |
| C11 | C10 | H9 | 109.3° | 109.5° |
| C11 | C10 | H10 | 109.3° | 109.5° |
| C10 | C11 | H13 | 109.6° | 109.6° |
| C10 | C11 | H14 | 109.6° | 109.6° |
| N3 | C8 | C18 | 117.5° | 110.2° |
| N3 | C8 | C15 | 115.9° | 110.0° |
| N3 | C8 | H17 | 105.0° | 110.1° |
| O4 | C18 | C8 | 112.2° | 110.0° |
| O4 | C18 | C17 | 111.2° | 110.1° |
| C18 | O4 | H27 | 109.5° | 114.0° |
| C8 | C18 | C17 | 101.8° | 106.6° |
| C18 | C8 | C15 | 108.9° | 106.5° |
| C18 | C8 | H17 | 103.7° | 109.9° |
| C18 | C17 | C16 | 103.9° | 104.2° |
| C18 | C17 | H7 | 110.8° | 110.5° |
| C18 | C17 | H8 | 110.8° | 110.6° |
| C9 | C13 | C12 | 112.4° | 109.3° |
| C9 | C13 | H11 | 108.7° | 109.5° |
| C9 | C13 | H12 | 108.8° | 109.5° |
| C13 | C9 | H18 | 108.1° | 109.4° |
| C11 | N5 | S1 | 119.9° | 120.6° |
| C11 | N5 | C12 | 119.0° | 118.7° |
| N5 | C11 | H13 | 109.6° | 109.6° |
| N5 | C11 | H14 | 109.6° | 109.5° |
| C8 | C15 | C16 | 103.1° | 104.2° |
| C8 | C15 | H5 | 111.0° | 110.5° |
| C8 | C15 | H6 | 111.0° | 110.6° |
| C15 | C8 | H17 | 104.1° | 110.0° |
| O2 | S1 | N5 | 110.1° | 104.3° |
| O2 | S1 | O3 | 118.8° | 121.0° |
| O2 | S1 | C14 | 110.0° | 110.6° |
| C13 | C12 | N5 | 110.2° | 108.8° |
| C12 | C13 | H11 | 108.8° | 109.5° |
| C12 | C13 | H12 | 108.7° | 109.5° |
| C13 | C12 | H15 | 109.3° | 109.6° |
| C13 | C12 | H16 | 109.3° | 109.6° |
| C17 | C16 | C15 | 103.6° | 102.9° |
| C17 | C16 | H3 | 110.9° | 110.8° |
| C17 | C16 | H4 | 110.9° | 110.8° |
| C16 | C17 | H7 | 110.9° | 110.5° |
| C16 | C17 | H8 | 110.8° | 110.5° |
| S1 | N5 | C12 | 118.9° | 120.7° |
| N5 | S1 | O3 | 105.6° | 104.3° |
| N5 | S1 | C14 | 100.8° | 104.4° |
| N5 | C12 | H15 | 109.3° | 109.6° |
| N5 | C12 | H16 | 109.3° | 109.7° |
| O3 | S1 | C14 | 109.8° | 110.5° |
| S1 | C14 | H22 | 109.5° | 109.5° |
| S1 | C14 | H23 | 109.5° | 109.5° |
| S1 | C14 | H24 | 109.5° | 109.5° |
| C15 | C16 | H3 | 110.9° | 110.7° |
| C15 | C16 | H4 | 110.9° | 110.8° |
| C16 | C15 | H5 | 111.1° | 110.5° |
| C16 | C15 | H6 | 111.1° | 110.5° |
| H3 | C16 | H4 | 109.4° | 110.7° |
| H5 | C15 | H6 | 109.4° | 110.4° |
| H7 | C17 | H8 | 109.5° | 110.4° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.7° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | H1 | 180.0° | 179.8° |
| N1 | C4 | C3 | C7 | 179.1° | 179.9° |
| N1 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | N1 | C1 | N4 | 179.9° | 179.9° |
| C4 | N1 | C1 | N2 | 0.9° | 0.1° |
| C4 | C3 | C7 | C2 | 179.9° | 179.9° |
| C4 | C3 | C7 | C6 | 179.9° | 180.0° |
| C3 | C4 | N1 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | N2 | 1.6° | 0.1° |
| C4 | C3 | C2 | N3 | 179.3° | 180.0° |
| C4 | C3 | C7 | H2 | 0.1° | 0.0° |
| F2 | C20 | C6 | C7 | 125.6° | 120.0° |
| F2 | C20 | C6 | F1 | 117.9° | 120.1° |
| F2 | C20 | C6 | H25 | 122.0° | 120.0° |
| F2 | C20 | F1 | H25 | 118.5° | 120.0° |
| F2 | C20 | C6 | C5 | 55.0° | 60.0° |
| C3 | C7 | C6 | H2 | 180.0° | 180.0° |
| C3 | C7 | C6 | C20 | 179.7° | 180.0° |
| C3 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C3 | C2 | N2 | 178.3° | 180.0° |
| C7 | C3 | C2 | N3 | 0.8° | 0.1° |
| C7 | C3 | C4 | H1 | 0.9° | 0.3° |
| C7 | C6 | C20 | C5 | 179.4° | 180.0° |
| C7 | C6 | C20 | F1 | 116.4° | 0.0° |
| C6 | C7 | C3 | C2 | 0.2° | 0.1° |
| C7 | C6 | C5 | N3 | 1.0° | 0.0° |
| C7 | C6 | C5 | O1 | 178.9° | 179.9° |
| C7 | C6 | C20 | H25 | 3.6° | 120.0° |
| N1 | C1 | N4 | N2 | 179.0° | 180.0° |
| N1 | C1 | N2 | C2 | 0.2° | 0.0° |
| N1 | C1 | N4 | C9 | 179.6° | 0.0° |
| C1 | N1 | C4 | H1 | 179.6° | 179.7° |
| N1 | C1 | N4 | H26 | 58.8° | 180.0° |
| C6 | C20 | F1 | H25 | 119.1° | 119.9° |
| C20 | C6 | C5 | N3 | 179.6° | 180.0° |
| C20 | C6 | C5 | O1 | 0.5° | 0.0° |
| C20 | C6 | C7 | H2 | 0.3° | 0.0° |
| F1 | C20 | C6 | C5 | 63.0° | 180.0° |
| C3 | C2 | N2 | C1 | 1.1° | 0.0° |
| C3 | C2 | N2 | N3 | 179.1° | 180.0° |
| C3 | C2 | N3 | C5 | 1.6° | 0.1° |
| C3 | C2 | N3 | C8 | 171.8° | 179.9° |
| C2 | C3 | C4 | H1 | 179.2° | 179.8° |
| C2 | C3 | C7 | H2 | 179.8° | 179.9° |
| C6 | C5 | N3 | C2 | 1.7° | 0.0° |
| C6 | C5 | N3 | O1 | 179.9° | 180.0° |
| C6 | C5 | N3 | C8 | 171.5° | 180.0° |
| C5 | C6 | C7 | H2 | 179.7° | 180.0° |
| C5 | C6 | C20 | H25 | 177.0° | 60.0° |
| C19 | C18 | C8 | N3 | 3.2° | 0.0° |
| C19 | C18 | O4 | C8 | 128.4° | 121.4° |
| C19 | C18 | O4 | C17 | 118.3° | 121.5° |
| C19 | C18 | C8 | C17 | 120.1° | 119.3° |
| C19 | C18 | C8 | C15 | 131.1° | 119.3° |
| C19 | C18 | C17 | C16 | 158.8° | 142.8° |
| C19 | C18 | C17 | H7 | 82.1° | 24.1° |
| C19 | C18 | C17 | H8 | 39.7° | 98.5° |
| C19 | C18 | C8 | H17 | 118.5° | 121.5° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | C18 | O4 | H27 | 180.0° | 58.6° |
| N4 | C1 | N2 | C2 | 179.1° | 180.0° |
| C1 | N4 | C9 | H26 | 120.7° | 179.9° |
| C1 | N4 | C9 | C10 | 83.3° | 155.0° |
| C1 | N4 | C9 | C13 | 153.2° | 84.9° |
| C1 | N4 | C9 | H18 | 34.3° | 35.1° |
| C1 | N2 | C2 | N3 | 179.8° | 180.0° |
| N2 | C1 | N4 | C9 | 1.4° | 180.0° |
| N2 | C1 | N4 | H26 | 122.1° | 0.0° |
| N2 | C2 | N3 | C5 | 177.5° | 180.0° |
| N2 | C2 | N3 | C8 | 9.1° | 0.0° |
| C2 | N3 | C5 | C8 | 173.2° | 180.0° |
| C2 | N3 | C5 | O1 | 178.2° | 179.9° |
| C2 | N3 | C8 | C18 | 105.4° | 65.6° |
| C2 | N3 | C8 | C15 | 123.5° | 51.6° |
| C2 | N3 | C8 | H17 | 9.2° | 173.0° |
| N4 | C9 | C10 | C13 | 122.3° | 120.1° |
| N4 | C9 | C10 | H18 | 118.3° | 120.0° |
| N4 | C9 | C10 | C11 | 179.6° | 178.6° |
| N4 | C9 | C13 | H18 | 119.5° | 120.0° |
| N4 | C9 | C13 | C12 | 173.7° | 178.6° |
| N4 | C9 | C10 | H9 | 59.5° | 58.7° |
| N4 | C9 | C10 | H10 | 60.3° | 61.4° |
| N4 | C9 | C13 | H11 | 65.8° | 61.5° |
| N4 | C9 | C13 | H12 | 53.3° | 58.6° |
| C5 | N3 | C8 | C18 | 68.1° | 114.4° |
| C5 | N3 | C8 | C15 | 63.0° | 128.4° |
| C5 | N3 | C8 | H17 | 177.3° | 7.0° |
| O1 | C5 | N3 | C8 | 8.5° | 0.1° |
| C9 | C10 | C11 | H9 | 120.1° | 119.9° |
| C9 | C10 | C11 | H10 | 120.1° | 120.0° |
| C10 | C9 | C13 | H18 | 119.5° | 120.0° |
| C9 | C10 | C11 | N5 | 55.1° | 54.6° |
| C10 | C9 | C13 | C12 | 52.8° | 61.3° |
| C9 | C10 | H9 | H10 | 119.7° | 120.1° |
| C10 | C9 | C13 | H11 | 173.2° | 58.6° |
| C10 | C9 | C13 | H12 | 67.6° | 178.7° |
| C9 | C10 | C11 | H13 | 175.0° | 174.5° |
| C9 | C10 | C11 | H14 | 64.8° | 65.1° |
| C10 | C9 | N4 | H26 | 156.0° | 25.0° |
| C11 | C10 | C9 | C13 | 57.3° | 61.4° |
| C10 | C11 | N5 | H13 | 119.9° | 119.8° |
| C10 | C11 | N5 | H14 | 119.9° | 119.8° |
| C10 | C11 | N5 | S1 | 142.9° | 126.4° |
| C10 | C11 | N5 | C12 | 54.2° | 53.6° |
| C11 | C10 | H9 | H10 | 119.7° | 120.1° |
| C10 | C11 | H13 | H14 | 120.3° | 120.4° |
| C11 | C10 | C9 | H18 | 62.1° | 58.6° |
| N3 | C8 | C18 | O4 | 117.7° | 121.4° |
| N3 | C8 | C18 | C15 | 134.3° | 119.4° |
| N3 | C8 | C18 | H17 | 115.3° | 121.5° |
| N3 | C8 | C18 | C17 | 123.3° | 119.3° |
| N3 | C8 | C15 | H17 | 114.7° | 121.4° |
| N3 | C8 | C15 | C16 | 150.5° | 143.0° |
| N3 | C8 | C15 | H5 | 31.5° | 98.4° |
| N3 | C8 | C15 | H6 | 90.5° | 24.2° |
| O4 | C18 | C8 | C17 | 118.9° | 119.3° |
| O4 | C18 | C8 | C15 | 108.0° | 119.3° |
| O4 | C18 | C17 | C16 | 86.4° | 95.7° |
| O4 | C18 | C17 | H7 | 32.7° | 145.6° |
| O4 | C18 | C17 | H8 | 154.5° | 23.0° |
| O4 | C18 | C8 | H17 | 2.4° | 0.1° |
| O4 | C18 | C19 | H19 | 180.0° | 166.6° |
| O4 | C18 | C19 | H20 | 60.0° | 46.7° |
| O4 | C18 | C19 | H21 | 60.0° | 73.4° |
| C18 | C8 | C15 | H17 | 110.2° | 119.1° |
| C8 | C18 | C17 | C16 | 33.3° | 23.5° |
| C18 | C8 | C15 | C16 | 15.4° | 23.5° |
| C18 | C8 | C15 | H5 | 103.6° | 142.2° |
| C18 | C8 | C15 | H6 | 134.4° | 95.3° |
| C8 | C18 | C17 | H7 | 152.4° | 95.2° |
| C8 | C18 | C17 | H8 | 85.8° | 142.3° |
| C8 | C18 | C19 | H19 | 55.0° | 72.0° |
| C8 | C18 | C19 | H20 | 175.0° | 168.0° |
| C8 | C18 | C19 | H21 | 65.0° | 48.0° |
| C8 | C18 | O4 | H27 | 51.5° | 180.0° |
| C17 | C18 | C8 | C15 | 10.9° | 0.0° |
| C18 | C17 | C16 | H7 | 119.1° | 118.6° |
| C18 | C17 | C16 | H8 | 119.1° | 118.8° |
| C18 | C17 | C16 | C15 | 44.4° | 37.9° |
| C18 | C17 | C16 | H3 | 74.6° | 156.2° |
| C18 | C17 | C16 | H4 | 163.5° | 80.6° |
| C18 | C17 | H7 | H8 | 122.6° | 122.7° |
| C17 | C18 | C8 | H17 | 121.4° | 119.2° |
| C17 | C18 | C19 | H19 | 60.8° | 45.1° |
| C17 | C18 | C19 | H20 | 59.2° | 74.8° |
| C17 | C18 | C19 | H21 | 179.2° | 165.1° |
| C17 | C18 | O4 | H27 | 61.7° | 62.9° |
| C9 | C13 | C12 | H11 | 120.4° | 119.9° |
| C9 | C13 | C12 | H12 | 120.5° | 120.0° |
| C9 | C13 | C12 | N5 | 46.0° | 54.6° |
| C13 | C9 | C10 | H9 | 62.8° | 178.7° |
| C13 | C9 | C10 | H10 | 177.4° | 58.6° |
| C9 | C13 | H11 | H12 | 118.7° | 120.1° |
| C9 | C13 | C12 | H15 | 74.0° | 65.2° |
| C9 | C13 | C12 | H16 | 166.1° | 174.6° |
| C13 | C9 | N4 | H26 | 32.4° | 95.1° |
| C11 | N5 | S1 | O2 | 40.6° | 26.0° |
| C11 | N5 | C12 | C13 | 49.3° | 53.6° |
| C11 | N5 | S1 | C12 | 162.9° | 179.9° |
| C11 | N5 | S1 | O3 | 170.0° | 153.9° |
| C11 | N5 | S1 | C14 | 75.6° | 90.0° |
| N5 | C11 | C10 | H9 | 65.1° | 174.5° |
| N5 | C11 | C10 | H10 | 175.2° | 65.4° |
| N5 | C11 | H13 | H14 | 120.3° | 120.3° |
| C11 | N5 | C12 | H15 | 70.8° | 66.3° |
| C11 | N5 | C12 | H16 | 169.4° | 173.5° |
| C8 | C15 | C16 | C17 | 36.3° | 37.9° |
| C8 | C15 | C16 | H5 | 119.0° | 118.7° |
| C8 | C15 | C16 | H6 | 119.0° | 118.8° |
| C8 | C15 | C16 | H3 | 82.8° | 156.3° |
| C8 | C15 | C16 | H4 | 155.4° | 80.6° |
| C8 | C15 | H5 | H6 | 122.9° | 122.6° |
| O2 | S1 | N5 | O3 | 129.4° | 127.9° |
| O2 | S1 | N5 | C14 | 116.2° | 116.1° |
| O2 | S1 | N5 | C12 | 156.5° | 153.9° |
| O2 | S1 | O3 | C14 | 127.9° | 131.5° |
| O2 | S1 | C14 | H22 | 180.0° | 171.6° |
| O2 | S1 | C14 | H23 | 60.0° | 68.4° |
| O2 | S1 | C14 | H24 | 60.0° | 51.6° |
| C13 | C12 | N5 | S1 | 147.6° | 126.4° |
| C13 | C12 | N5 | H15 | 120.1° | 119.9° |
| C13 | C12 | N5 | H16 | 120.1° | 119.9° |
| C12 | C13 | H11 | H12 | 118.6° | 120.1° |
| C13 | C12 | H15 | H16 | 119.7° | 120.3° |
| C12 | C13 | C9 | H18 | 66.7° | 58.6° |
| C17 | C16 | C15 | H3 | 119.1° | 118.4° |
| C17 | C16 | C15 | H4 | 119.1° | 118.4° |
| C17 | C16 | H3 | H4 | 122.7° | 123.3° |
| C17 | C16 | C15 | H5 | 82.7° | 156.5° |
| C17 | C16 | C15 | H6 | 155.3° | 80.9° |
| C16 | C17 | H7 | H8 | 122.6° | 122.6° |
| N5 | S1 | O3 | C14 | 107.9° | 111.7° |
| S1 | N5 | C11 | H13 | 23.0° | 6.5° |
| S1 | N5 | C11 | H14 | 97.2° | 113.9° |
| S1 | N5 | C12 | H15 | 92.3° | 113.8° |
| S1 | N5 | C12 | H16 | 27.5° | 6.5° |
| N5 | S1 | C14 | H22 | 63.7° | 60.0° |
| N5 | S1 | C14 | H23 | 176.3° | 180.0° |
| N5 | S1 | C14 | H24 | 56.3° | 60.0° |
| C12 | N5 | S1 | O3 | 27.1° | 26.0° |
| C12 | N5 | S1 | C14 | 87.3° | 90.0° |
| N5 | C12 | C13 | H11 | 166.5° | 65.3° |
| N5 | C12 | C13 | H12 | 74.4° | 174.6° |
| C12 | N5 | C11 | H13 | 174.1° | 173.4° |
| C12 | N5 | C11 | H14 | 65.7° | 66.2° |
| N5 | C12 | H15 | H16 | 119.7° | 120.3° |
| O3 | S1 | C14 | H22 | 47.4° | 51.7° |
| O3 | S1 | C14 | H23 | 72.6° | 68.4° |
| O3 | S1 | C14 | H24 | 167.4° | 171.7° |
| S1 | C14 | H22 | H23 | 120.0° | 120.0° |
| S1 | C14 | H22 | H24 | 120.0° | 120.0° |
| S1 | C14 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | H3 | H4 | 122.7° | 123.2° |
| C16 | C15 | H5 | H6 | 123.0° | 122.6° |
| C15 | C16 | C17 | H7 | 163.6° | 80.8° |
| C15 | C16 | C17 | H8 | 74.7° | 156.7° |
| C16 | C15 | C8 | H17 | 94.8° | 95.6° |
| H3 | C16 | C15 | H5 | 158.2° | 85.1° |
| H3 | C16 | C15 | H6 | 36.2° | 37.5° |
| H3 | C16 | C17 | H7 | 44.5° | 37.6° |
| H3 | C16 | C17 | H8 | 166.3° | 85.0° |
| H4 | C16 | C15 | H5 | 36.4° | 38.1° |
| H4 | C16 | C15 | H6 | 85.7° | 160.6° |
| H4 | C16 | C17 | H7 | 77.4° | 160.8° |
| H4 | C16 | C17 | H8 | 44.4° | 38.2° |
| H5 | C15 | C8 | H17 | 146.2° | 23.1° |
| H6 | C15 | C8 | H17 | 24.2° | 145.6° |
| H9 | C10 | C11 | H13 | 54.8° | 65.6° |
| H9 | C10 | C11 | H14 | 175.0° | 54.8° |
| H9 | C10 | C9 | H18 | 177.7° | 61.3° |
| H10 | C10 | C11 | H13 | 64.9° | 54.5° |
| H10 | C10 | C11 | H14 | 55.3° | 174.9° |
| H10 | C10 | C9 | H18 | 58.0° | 178.6° |
| H11 | C13 | C12 | H15 | 46.4° | 174.9° |
| H11 | C13 | C12 | H16 | 73.5° | 54.6° |
| H11 | C13 | C9 | H18 | 53.7° | 178.6° |
| H12 | C13 | C12 | H15 | 165.5° | 54.8° |
| H12 | C13 | C12 | H16 | 45.7° | 65.5° |
| H12 | C13 | C9 | H18 | 172.8° | 61.4° |
| H18 | C9 | N4 | H26 | 86.4° | 145.0° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
| H22 | C14 | H23 | H24 | 119.9° | 119.9° |
