A1IJC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.51Å | 1.15Å | |
| O | C3 | doub | 1.21Å | 1.21Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | N | sing | 1.46Å | 1.45Å | |
| N | C5 | sing | 1.35Å | 1.32Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| F | C25 | sing | 1.40Å | 1.36Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | O2 | doub | 1.21Å | 1.24Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| F2 | C25 | sing | 1.40Å | 1.29Å | |
| C25 | F3 | sing | 1.40Å | 1.28Å | |
| C25 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.50Å | |
| C16 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | S2 | sing | 1.76Å | 1.76Å | |
| O3 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | O4 | doub | 1.42Å | 1.43Å | |
| S2 | C20 | sing | 1.81Å | 1.71Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 1.01Å | 1.00Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | O | 116.4° | 120.1° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C3 | C2 | H11 | 109.5° | 109.5° |
| C3 | C2 | H12 | 109.5° | 109.4° |
| C3 | C2 | H13 | 109.5° | 109.5° |
| O | C3 | C4 | 124.0° | 120.0° |
| C3 | C4 | N | 110.6° | 109.5° |
| C3 | C4 | H14 | 109.2° | 109.5° |
| C3 | C4 | H15 | 109.2° | 109.5° |
| C4 | N | C5 | 120.7° | 120.0° |
| N | C4 | H14 | 109.2° | 109.4° |
| N | C4 | H15 | 109.2° | 109.5° |
| C4 | N | H16 | 119.6° | 120.0° |
| N | C5 | C6 | 116.3° | 120.0° |
| N | C5 | O2 | 122.4° | 120.0° |
| C5 | N | H16 | 119.6° | 120.0° |
| C10 | C8 | C7 | 115.8° | 109.5° |
| C10 | C8 | C9 | 112.8° | 109.5° |
| C10 | C8 | H20 | 107.9° | 109.5° |
| C8 | C10 | H24 | 109.5° | 109.5° |
| C8 | C10 | H25 | 109.4° | 109.5° |
| C8 | C10 | H26 | 109.5° | 109.5° |
| F | C25 | F2 | 110.6° | 109.4° |
| F | C25 | F3 | 107.3° | 109.5° |
| F | C25 | C11 | 112.9° | 109.5° |
| C5 | C6 | C7 | 113.5° | 109.4° |
| C5 | C6 | N2 | 102.5° | 109.4° |
| C6 | C5 | O2 | 121.1° | 120.0° |
| C5 | C6 | H17 | 110.1° | 109.5° |
| C7 | C6 | N2 | 110.2° | 109.5° |
| C6 | C7 | C8 | 111.7° | 109.5° |
| C7 | C6 | H17 | 109.7° | 109.5° |
| C6 | C7 | H18 | 108.9° | 109.5° |
| C6 | C7 | H19 | 108.9° | 109.5° |
| C6 | N2 | C11 | 121.7° | 110.9° |
| N2 | C6 | H17 | 110.7° | 109.5° |
| C6 | N2 | H27 | 106.3° | 111.1° |
| C7 | C8 | C9 | 103.2° | 109.5° |
| C8 | C7 | H18 | 108.9° | 109.4° |
| C8 | C7 | H19 | 108.9° | 109.4° |
| C7 | C8 | H20 | 108.2° | 109.4° |
| C9 | C8 | H20 | 108.6° | 109.5° |
| C8 | C9 | H21 | 109.5° | 109.5° |
| C8 | C9 | H22 | 109.5° | 109.5° |
| C8 | C9 | H23 | 109.5° | 109.5° |
| F2 | C25 | F3 | 103.6° | 109.5° |
| F2 | C25 | C11 | 111.1° | 109.5° |
| F3 | C25 | C11 | 110.9° | 109.4° |
| C25 | C11 | N2 | 111.2° | 109.5° |
| C25 | C11 | C12 | 113.1° | 109.4° |
| C25 | C11 | H29 | 106.9° | 109.5° |
| N2 | C11 | C12 | 110.8° | 109.4° |
| C11 | N2 | H27 | 106.3° | 111.0° |
| N2 | C11 | H29 | 107.5° | 109.5° |
| C11 | C12 | C13 | 120.0° | 119.9° |
| C11 | C12 | C24 | 121.0° | 119.9° |
| C12 | C11 | H29 | 106.9° | 109.5° |
| C13 | C12 | C24 | 119.0° | 120.2° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H1 | 119.6° | 119.9° |
| C12 | C24 | C23 | 120.3° | 120.1° |
| C12 | C24 | H10 | 119.8° | 119.9° |
| C13 | C14 | C15 | 120.6° | 119.8° |
| C14 | C13 | H1 | 119.6° | 119.9° |
| C13 | C14 | H2 | 119.7° | 120.0° |
| C24 | C23 | C15 | 120.4° | 119.9° |
| C24 | C23 | H9 | 119.8° | 120.1° |
| C23 | C24 | H10 | 119.9° | 120.0° |
| C14 | C15 | C23 | 118.9° | 119.8° |
| C14 | C15 | C16 | 119.2° | 120.1° |
| C15 | C14 | H2 | 119.7° | 120.1° |
| C23 | C15 | C16 | 121.8° | 120.1° |
| C15 | C23 | H9 | 119.8° | 120.0° |
| C15 | C16 | C22 | 120.6° | 120.1° |
| C15 | C16 | C17 | 120.5° | 120.1° |
| C22 | C16 | C17 | 118.9° | 119.8° |
| C16 | C22 | C21 | 120.5° | 119.8° |
| C16 | C22 | H8 | 119.7° | 120.1° |
| C16 | C17 | C18 | 120.7° | 119.8° |
| C16 | C17 | H3 | 119.7° | 120.1° |
| C22 | C21 | C19 | 119.9° | 120.1° |
| C22 | C21 | H7 | 120.0° | 119.9° |
| C21 | C22 | H8 | 119.8° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C18 | C17 | H3 | 119.6° | 120.1° |
| C17 | C18 | H30 | 120.2° | 119.9° |
| C21 | C19 | C18 | 120.4° | 120.3° |
| C21 | C19 | S2 | 119.7° | 119.9° |
| C19 | C21 | H7 | 120.1° | 120.0° |
| C18 | C19 | S2 | 119.9° | 119.9° |
| C19 | C18 | H30 | 120.2° | 120.0° |
| C19 | S2 | O3 | 108.0° | 104.2° |
| C19 | S2 | O4 | 107.8° | 104.3° |
| C19 | S2 | C20 | 104.0° | 104.5° |
| O3 | S2 | O4 | 119.3° | 121.0° |
| O3 | S2 | C20 | 108.7° | 110.6° |
| O4 | S2 | C20 | 107.9° | 110.6° |
| S2 | C20 | H4 | 109.5° | 109.5° |
| S2 | C20 | H5 | 109.5° | 109.4° |
| S2 | C20 | H6 | 109.4° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H11 | C2 | H13 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.4° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.4° | 109.5° |
| H21 | C9 | H23 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| H24 | C10 | H26 | 109.5° | 109.4° |
| H25 | C10 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | O | C4 | 179.2° | 180.0° |
| C2 | C3 | C4 | N | 10.9° | 180.0° |
| C3 | C2 | H11 | H12 | 120.0° | 119.9° |
| C3 | C2 | H11 | H13 | 120.0° | 120.1° |
| C3 | C2 | H12 | H13 | 120.0° | 120.0° |
| C2 | C3 | C4 | H14 | 109.3° | 60.0° |
| C2 | C3 | C4 | H15 | 131.0° | 60.0° |
| O | C3 | C4 | N | 168.3° | 0.0° |
| O | C3 | C2 | H11 | 0.0° | 89.9° |
| O | C3 | C2 | H12 | 120.0° | 30.0° |
| O | C3 | C2 | H13 | 120.0° | 150.0° |
| O | C3 | C4 | H14 | 71.5° | 119.9° |
| O | C3 | C4 | H15 | 48.2° | 120.0° |
| C3 | C4 | N | H14 | 120.1° | 120.0° |
| C3 | C4 | N | H15 | 120.2° | 120.1° |
| C3 | C4 | N | C5 | 113.3° | 180.0° |
| C4 | C3 | C2 | H11 | 179.3° | 90.0° |
| C4 | C3 | C2 | H12 | 60.7° | 150.0° |
| C4 | C3 | C2 | H13 | 59.3° | 30.0° |
| C3 | C4 | H14 | H15 | 119.5° | 120.1° |
| C3 | C4 | N | H16 | 66.7° | 0.0° |
| C4 | N | C5 | H16 | 180.0° | 180.0° |
| C4 | N | C5 | C6 | 179.6° | 180.0° |
| C4 | N | C5 | O2 | 4.9° | 0.0° |
| N | C4 | H14 | H15 | 119.5° | 120.0° |
| N | C5 | C6 | O2 | 174.8° | 180.0° |
| N | C5 | C6 | C7 | 106.8° | 60.0° |
| N | C5 | C6 | N2 | 134.3° | 180.0° |
| C5 | N | C4 | H14 | 126.6° | 60.0° |
| C5 | N | C4 | H15 | 6.9° | 60.0° |
| N | C5 | C6 | H17 | 16.5° | 60.0° |
| C10 | C8 | C7 | C6 | 62.1° | 66.4° |
| C10 | C8 | C7 | C9 | 123.8° | 120.0° |
| C10 | C8 | C7 | H20 | 121.3° | 120.0° |
| C10 | C8 | C9 | H20 | 119.6° | 120.0° |
| C10 | C8 | C7 | H18 | 177.6° | 173.5° |
| C10 | C8 | C7 | H19 | 58.2° | 53.6° |
| C10 | C8 | C9 | H21 | 180.0° | 60.0° |
| C10 | C8 | C9 | H22 | 60.0° | 60.0° |
| C10 | C8 | C9 | H23 | 60.0° | 180.0° |
| C8 | C10 | H24 | H25 | 120.0° | 120.0° |
| C8 | C10 | H24 | H26 | 120.0° | 120.0° |
| C8 | C10 | H25 | H26 | 120.0° | 120.0° |
| F | C25 | F2 | F3 | 114.7° | 120.0° |
| F | C25 | F2 | C11 | 126.2° | 120.0° |
| F | C25 | F3 | C11 | 123.7° | 120.0° |
| F | C25 | C11 | N2 | 53.0° | 174.6° |
| F | C25 | C11 | C12 | 178.4° | 54.6° |
| F | C25 | C11 | H29 | 64.1° | 65.4° |
| C5 | C6 | C7 | N2 | 114.3° | 119.9° |
| C5 | C6 | C7 | H17 | 123.6° | 120.0° |
| C5 | C6 | N2 | H17 | 117.3° | 120.0° |
| C5 | C6 | C7 | C8 | 170.9° | 174.4° |
| C5 | C6 | N2 | C11 | 66.0° | 79.5° |
| C6 | C5 | N | H16 | 0.4° | 0.0° |
| C5 | C6 | C7 | H18 | 50.6° | 65.6° |
| C5 | C6 | C7 | H19 | 68.8° | 54.4° |
| C5 | C6 | N2 | H27 | 55.6° | 44.5° |
| C7 | C6 | N2 | H17 | 121.5° | 120.1° |
| C7 | C6 | C5 | O2 | 68.0° | 120.0° |
| C6 | C7 | C8 | H18 | 120.3° | 120.1° |
| C6 | C7 | C8 | H19 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 174.1° | 173.6° |
| C7 | C6 | N2 | C11 | 172.8° | 160.6° |
| C6 | C7 | H18 | H19 | 119.0° | 120.1° |
| C6 | C7 | C8 | H20 | 59.2° | 53.6° |
| C7 | C6 | N2 | H27 | 65.5° | 75.4° |
| N2 | C6 | C5 | O2 | 50.9° | 0.0° |
| N2 | C6 | C7 | C8 | 56.6° | 65.7° |
| C6 | N2 | C11 | C25 | 84.8° | 94.7° |
| C6 | N2 | C11 | H27 | 121.7° | 124.0° |
| C6 | N2 | C11 | C12 | 148.5° | 145.4° |
| N2 | C6 | C7 | H18 | 63.8° | 54.3° |
| N2 | C6 | C7 | H19 | 176.9° | 174.3° |
| C6 | N2 | C11 | H29 | 32.0° | 25.3° |
| O2 | C5 | N | H16 | 175.1° | 180.0° |
| O2 | C5 | C6 | H17 | 168.6° | 120.0° |
| C7 | C8 | C9 | H20 | 114.7° | 120.0° |
| C8 | C7 | C6 | H17 | 65.5° | 54.4° |
| C8 | C7 | H18 | H19 | 119.0° | 119.9° |
| C7 | C8 | C9 | H21 | 54.2° | 60.0° |
| C7 | C8 | C9 | H22 | 65.8° | 180.0° |
| C7 | C8 | C9 | H23 | 174.2° | 60.0° |
| C7 | C8 | C10 | H24 | 180.0° | 65.3° |
| C7 | C8 | C10 | H25 | 60.0° | 174.7° |
| C7 | C8 | C10 | H26 | 60.0° | 54.7° |
| C9 | C8 | C7 | H18 | 53.8° | 53.5° |
| C9 | C8 | C7 | H19 | 65.5° | 66.4° |
| C8 | C9 | H21 | H22 | 120.0° | 120.0° |
| C8 | C9 | H21 | H23 | 120.0° | 120.0° |
| C8 | C9 | H22 | H23 | 120.0° | 120.0° |
| C9 | C8 | C10 | H24 | 61.4° | 174.7° |
| C9 | C8 | C10 | H25 | 58.6° | 54.7° |
| C9 | C8 | C10 | H26 | 178.6° | 65.3° |
| F2 | C25 | F3 | C11 | 119.3° | 120.0° |
| F2 | C25 | C11 | N2 | 177.9° | 54.6° |
| F2 | C25 | C11 | C12 | 56.7° | 65.4° |
| F2 | C25 | C11 | H29 | 60.8° | 174.6° |
| F3 | C25 | C11 | N2 | 67.5° | 65.4° |
| F3 | C25 | C11 | C12 | 58.0° | 174.6° |
| F3 | C25 | C11 | H29 | 175.4° | 54.6° |
| C25 | C11 | N2 | C12 | 126.7° | 120.0° |
| C25 | C11 | N2 | H29 | 116.8° | 120.0° |
| C25 | C11 | C12 | H29 | 117.5° | 120.0° |
| C25 | C11 | C12 | C13 | 95.6° | 100.0° |
| C25 | C11 | C12 | C24 | 84.8° | 80.3° |
| C25 | C11 | N2 | H27 | 153.6° | 141.3° |
| N2 | C11 | C12 | H29 | 116.9° | 120.0° |
| N2 | C11 | C12 | C13 | 138.8° | 140.0° |
| N2 | C11 | C12 | C24 | 40.9° | 39.7° |
| C11 | N2 | C6 | H17 | 51.3° | 40.6° |
| C11 | C12 | C13 | C24 | 179.7° | 179.7° |
| C11 | C12 | C13 | C14 | 179.9° | 179.7° |
| C11 | C12 | C24 | C23 | 179.9° | 179.7° |
| C11 | C12 | C13 | H1 | 0.1° | 0.3° |
| C11 | C12 | C24 | H10 | 0.1° | 0.3° |
| C12 | C11 | N2 | H27 | 26.9° | 21.4° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C13 | C12 | C24 | C23 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H2 | 179.7° | 179.9° |
| C13 | C12 | C24 | H10 | 179.7° | 180.0° |
| C13 | C12 | C11 | H29 | 21.9° | 20.0° |
| C24 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C24 | C23 | H10 | 180.0° | 180.0° |
| C12 | C24 | C23 | C15 | 0.4° | 0.0° |
| C24 | C12 | C13 | H1 | 179.8° | 180.0° |
| C12 | C24 | C23 | H9 | 179.7° | 180.0° |
| C24 | C12 | C11 | H29 | 157.8° | 159.7° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C13 | C14 | C15 | C23 | 0.4° | 0.0° |
| C13 | C14 | C15 | C16 | 179.3° | 180.0° |
| C24 | C23 | C15 | C14 | 0.4° | 0.1° |
| C24 | C23 | C15 | H9 | 180.0° | 179.9° |
| C24 | C23 | C15 | C16 | 179.3° | 180.0° |
| C14 | C15 | C23 | C16 | 178.9° | 180.0° |
| C14 | C15 | C16 | C22 | 34.2° | 180.0° |
| C14 | C15 | C16 | C17 | 143.7° | 0.3° |
| C15 | C14 | C13 | H1 | 179.7° | 179.9° |
| C14 | C15 | C23 | H9 | 179.6° | 180.0° |
| C23 | C15 | C16 | C22 | 144.7° | 0.0° |
| C23 | C15 | C16 | C17 | 37.4° | 179.7° |
| C23 | C15 | C14 | H2 | 179.6° | 180.0° |
| C15 | C23 | C24 | H10 | 179.6° | 180.0° |
| C15 | C16 | C22 | C17 | 177.9° | 179.7° |
| C15 | C16 | C22 | C21 | 177.8° | 179.7° |
| C15 | C16 | C17 | C18 | 177.8° | 179.8° |
| C16 | C15 | C14 | H2 | 0.7° | 0.1° |
| C15 | C16 | C17 | H3 | 2.2° | 0.3° |
| C15 | C16 | C22 | H8 | 2.2° | 0.2° |
| C16 | C15 | C23 | H9 | 0.7° | 0.1° |
| C16 | C22 | C21 | H8 | 180.0° | 179.9° |
| C22 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C22 | C21 | C19 | 0.0° | 0.0° |
| C22 | C16 | C17 | H3 | 179.8° | 180.0° |
| C16 | C22 | C21 | H7 | 180.0° | 180.0° |
| C17 | C16 | C22 | C21 | 0.1° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C22 | H8 | 179.9° | 180.0° |
| C16 | C17 | C18 | H30 | 179.8° | 180.0° |
| C22 | C21 | C19 | H7 | 180.0° | 179.9° |
| C22 | C21 | C19 | C18 | 0.0° | 0.0° |
| C22 | C21 | C19 | S2 | 179.7° | 180.0° |
| C17 | C18 | C19 | C21 | 0.1° | 0.0° |
| C17 | C18 | C19 | H30 | 180.0° | 179.9° |
| C17 | C18 | C19 | S2 | 179.7° | 180.0° |
| C21 | C19 | C18 | S2 | 179.7° | 180.0° |
| C21 | C19 | S2 | O3 | 3.6° | 153.9° |
| C21 | C19 | S2 | O4 | 126.6° | 26.1° |
| C21 | C19 | S2 | C20 | 119.0° | 90.0° |
| C19 | C21 | C22 | H8 | 180.0° | 180.0° |
| C21 | C19 | C18 | H30 | 179.9° | 180.0° |
| C18 | C19 | S2 | O3 | 176.7° | 26.1° |
| C18 | C19 | S2 | O4 | 53.1° | 153.9° |
| C18 | C19 | S2 | C20 | 61.3° | 90.0° |
| C19 | C18 | C17 | H3 | 179.8° | 180.0° |
| C18 | C19 | C21 | H7 | 180.0° | 179.9° |
| C19 | S2 | O3 | O4 | 123.5° | 116.7° |
| C19 | S2 | O3 | C20 | 112.3° | 111.7° |
| C19 | S2 | O4 | C20 | 111.8° | 111.7° |
| C19 | S2 | C20 | H4 | 180.0° | 60.0° |
| C19 | S2 | C20 | H5 | 60.0° | 180.0° |
| C19 | S2 | C20 | H6 | 60.0° | 60.0° |
| S2 | C19 | C21 | H7 | 0.3° | 0.0° |
| S2 | C19 | C18 | H30 | 0.2° | 0.1° |
| O3 | S2 | O4 | C20 | 124.6° | 131.6° |
| O3 | S2 | C20 | H4 | 65.1° | 51.6° |
| O3 | S2 | C20 | H5 | 174.9° | 68.4° |
| O3 | S2 | C20 | H6 | 54.9° | 171.6° |
| O4 | S2 | C20 | H4 | 65.7° | 171.7° |
| O4 | S2 | C20 | H5 | 54.4° | 68.4° |
| O4 | S2 | C20 | H6 | 174.3° | 51.6° |
| S2 | C20 | H4 | H5 | 120.0° | 119.9° |
| S2 | C20 | H4 | H6 | 120.0° | 120.0° |
| S2 | C20 | H5 | H6 | 120.0° | 120.0° |
| H1 | C13 | C14 | H2 | 0.3° | 0.0° |
| H3 | C17 | C18 | H30 | 0.2° | 0.1° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H8 | 0.0° | 0.1° |
| H9 | C23 | C24 | H10 | 0.3° | 0.1° |
| H11 | C2 | H12 | H13 | 120.0° | 120.0° |
| H14 | C4 | N | H16 | 53.4° | 120.0° |
| H15 | C4 | N | H16 | 173.1° | 120.0° |
| H17 | C6 | C7 | H18 | 174.2° | 174.4° |
| H17 | C6 | C7 | H19 | 54.8° | 65.6° |
| H17 | C6 | N2 | H27 | 173.0° | 164.5° |
| H18 | C7 | C8 | H20 | 61.1° | 66.5° |
| H19 | C7 | C8 | H20 | 179.5° | 173.6° |
| H20 | C8 | C9 | H21 | 60.4° | 180.0° |
| H20 | C8 | C9 | H22 | 179.6° | 60.0° |
| H20 | C8 | C9 | H23 | 59.6° | 60.0° |
| H20 | C8 | C10 | H24 | 58.6° | 54.7° |
| H20 | C8 | C10 | H25 | 178.6° | 65.3° |
| H20 | C8 | C10 | H26 | 61.4° | 174.7° |
| H21 | C9 | H22 | H23 | 120.0° | 120.0° |
| H24 | C10 | H25 | H26 | 120.0° | 120.0° |
| H27 | N2 | C11 | H29 | 89.7° | 98.7° |
