0UQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | N1 | sing | 1.47Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | O1 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | O1 | sing | 1.36Å | 1.40Å | |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | C3 | sing | 1.47Å | 1.51Å | |
| C6 | C3 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.50Å | |
| C7 | N3 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.44Å | |
| C8 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| N2 | S1 | sing | 1.67Å | 1.71Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| N3 | S1 | sing | 1.67Å | 1.70Å | |
| N3 | C24 | sing | 1.46Å | 1.48Å | |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C23 | 109.7° | 109.5° |
| C22 | C21 | O1 | 111.4° | 109.5° |
| C22 | C21 | H24 | 109.6° | 109.5° |
| C21 | C22 | H25 | 109.5° | 109.5° |
| C21 | C22 | H26 | 109.4° | 109.4° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| C15 | C14 | N1 | 116.4° | 109.5° |
| C14 | C15 | C16 | 119.1° | 120.0° |
| C14 | C15 | C20 | 122.0° | 120.0° |
| C15 | C14 | H18 | 107.7° | 109.5° |
| C15 | C14 | H19 | 107.7° | 109.4° |
| C14 | N1 | C2 | 111.6° | 111.0° |
| C14 | N1 | C3 | 114.4° | 111.0° |
| N1 | C14 | H18 | 107.7° | 109.5° |
| N1 | C14 | H19 | 107.7° | 109.5° |
| C23 | C21 | O1 | 105.5° | 109.5° |
| C23 | C21 | H24 | 109.5° | 109.4° |
| C21 | C23 | H28 | 109.5° | 109.5° |
| C21 | C23 | H29 | 109.5° | 109.5° |
| C21 | C23 | H30 | 109.4° | 109.5° |
| C21 | O1 | C17 | 115.9° | 117.0° |
| O1 | C21 | H24 | 111.1° | 109.5° |
| C16 | C15 | C20 | 118.9° | 120.1° |
| C15 | C16 | C17 | 120.6° | 120.0° |
| C15 | C16 | H20 | 119.7° | 120.1° |
| C15 | C20 | C19 | 121.0° | 120.1° |
| C15 | C20 | H23 | 119.5° | 119.9° |
| C16 | C17 | O1 | 123.5° | 120.1° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C17 | C16 | H20 | 119.7° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.1° |
| C20 | C19 | H22 | 120.0° | 120.0° |
| C19 | C20 | H23 | 119.5° | 120.0° |
| O1 | C17 | C18 | 116.3° | 120.0° |
| C17 | C18 | C19 | 119.5° | 119.9° |
| C17 | C18 | H21 | 120.3° | 120.1° |
| C2 | N1 | C3 | 115.9° | 111.2° |
| N1 | C2 | C1 | 112.5° | 109.5° |
| N1 | C2 | H3 | 108.7° | 109.4° |
| N1 | C2 | H4 | 108.7° | 109.4° |
| N1 | C3 | C6 | 111.0° | 109.5° |
| N1 | C3 | C4 | 112.3° | 109.6° |
| N1 | C3 | H6 | 108.0° | 109.5° |
| C6 | C3 | C4 | 109.3° | 109.5° |
| C6 | C3 | H6 | 108.1° | 109.4° |
| C3 | C6 | H9 | 109.5° | 109.4° |
| C3 | C6 | H10 | 109.5° | 109.5° |
| C3 | C6 | H11 | 109.5° | 109.4° |
| C19 | C18 | H21 | 120.2° | 120.0° |
| C18 | C19 | H22 | 120.1° | 119.9° |
| C2 | C1 | C5 | 115.6° | 109.2° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C2 | C1 | H2 | 107.9° | 109.6° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C1 | C2 | H4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 113.5° | 109.2° |
| C4 | C3 | H6 | 107.9° | 109.4° |
| C3 | C4 | H7 | 108.4° | 109.5° |
| C3 | C4 | H8 | 108.5° | 109.5° |
| C1 | C5 | C4 | 112.1° | 109.1° |
| C1 | C5 | C7 | 107.5° | 109.5° |
| C1 | C5 | N2 | 116.6° | 109.0° |
| C5 | C1 | H1 | 107.9° | 109.5° |
| C5 | C1 | H2 | 107.9° | 109.5° |
| C4 | C5 | C7 | 105.8° | 109.4° |
| C4 | C5 | N2 | 111.2° | 109.0° |
| C5 | C4 | H7 | 108.4° | 109.6° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C7 | C5 | N2 | 102.6° | 110.8° |
| C5 | C7 | N3 | 107.4° | 109.6° |
| C5 | C7 | H12 | 110.0° | 109.5° |
| C5 | C7 | H13 | 110.0° | 109.4° |
| C5 | N2 | C8 | 129.1° | 127.1° |
| C5 | N2 | S1 | 112.9° | 105.7° |
| C7 | N3 | S1 | 110.7° | 103.5° |
| C7 | N3 | C24 | 111.8° | 128.2° |
| N3 | C7 | H12 | 110.0° | 109.5° |
| N3 | C7 | H13 | 110.0° | 109.5° |
| C10 | C9 | C8 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.1° |
| C10 | C9 | H14 | 120.2° | 120.1° |
| C9 | C10 | H15 | 119.8° | 119.9° |
| C9 | C8 | N2 | 128.6° | 120.0° |
| C9 | C8 | C13 | 119.9° | 119.9° |
| C8 | C9 | H14 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.0° | 120.1° |
| C11 | C10 | H15 | 119.8° | 119.9° |
| C10 | C11 | H16 | 120.5° | 120.0° |
| N2 | C8 | C13 | 111.5° | 120.1° |
| C8 | N2 | S1 | 112.8° | 127.1° |
| C8 | C13 | C12 | 120.4° | 119.9° |
| C8 | C13 | H17 | 119.8° | 120.1° |
| N2 | S1 | N3 | 92.8° | 101.7° |
| N2 | S1 | O3 | 113.6° | 107.3° |
| N2 | S1 | O2 | 103.5° | 107.2° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | F1 | 123.2° | 120.0° |
| C12 | C11 | H16 | 120.5° | 119.9° |
| C13 | C12 | F1 | 116.2° | 120.0° |
| C12 | C13 | H17 | 119.8° | 120.0° |
| S1 | N3 | C24 | 116.7° | 128.3° |
| N3 | S1 | O3 | 110.0° | 107.2° |
| N3 | S1 | O2 | 111.8° | 107.3° |
| N3 | C24 | H31 | 109.5° | 109.5° |
| N3 | C24 | H32 | 109.5° | 109.5° |
| N3 | C24 | H33 | 109.4° | 109.5° |
| O3 | S1 | O2 | 121.4° | 123.9° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H25 | C22 | H26 | 109.5° | 109.5° |
| H25 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.4° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C23 | O1 | 120.1° | 120.0° |
| C22 | C21 | C23 | H24 | 120.3° | 120.0° |
| C22 | C21 | O1 | H24 | 122.5° | 120.0° |
| C22 | C21 | O1 | C17 | 69.7° | 157.6° |
| C21 | C22 | H25 | H26 | 120.0° | 120.0° |
| C21 | C22 | H25 | H27 | 120.0° | 120.0° |
| C21 | C22 | H26 | H27 | 120.0° | 120.0° |
| C22 | C21 | C23 | H28 | 180.0° | 180.0° |
| C22 | C21 | C23 | H29 | 60.0° | 59.9° |
| C22 | C21 | C23 | H30 | 60.0° | 60.1° |
| C15 | C14 | N1 | H18 | 121.0° | 120.0° |
| C15 | C14 | N1 | H19 | 121.0° | 120.0° |
| C14 | C15 | C16 | C20 | 178.6° | 179.7° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C20 | C19 | 179.8° | 179.8° |
| C15 | C14 | N1 | C2 | 63.2° | 64.5° |
| C15 | C14 | N1 | C3 | 70.7° | 171.2° |
| C15 | C14 | H18 | H19 | 116.9° | 120.0° |
| C14 | C15 | C16 | H20 | 0.0° | 0.1° |
| C14 | C15 | C20 | H23 | 0.2° | 0.1° |
| N1 | C14 | C15 | C16 | 90.0° | 90.0° |
| N1 | C14 | C15 | C20 | 91.4° | 90.3° |
| C14 | N1 | C2 | C3 | 133.2° | 124.2° |
| C14 | N1 | C3 | C6 | 56.6° | 54.1° |
| C14 | N1 | C2 | C1 | 179.1° | 174.1° |
| C14 | N1 | C3 | C4 | 179.4° | 174.1° |
| C14 | N1 | C2 | H3 | 60.5° | 65.9° |
| C14 | N1 | C2 | H4 | 58.6° | 54.1° |
| C14 | N1 | C3 | H6 | 61.7° | 65.9° |
| N1 | C14 | H18 | H19 | 116.9° | 120.0° |
| C23 | C21 | O1 | H24 | 118.6° | 119.9° |
| C23 | C21 | O1 | C17 | 171.3° | 82.3° |
| C23 | C21 | C22 | H25 | 180.0° | 60.0° |
| C23 | C21 | C22 | H26 | 60.0° | 180.0° |
| C23 | C21 | C22 | H27 | 60.0° | 60.1° |
| C21 | C23 | H28 | H29 | 120.0° | 120.1° |
| C21 | C23 | H28 | H30 | 120.0° | 120.0° |
| C21 | C23 | H29 | H30 | 119.9° | 120.0° |
| C21 | O1 | C17 | C16 | 23.1° | 176.6° |
| C21 | O1 | C17 | C18 | 157.0° | 3.4° |
| O1 | C21 | C22 | H25 | 63.5° | 180.0° |
| O1 | C21 | C22 | H26 | 56.5° | 60.0° |
| O1 | C21 | C22 | H27 | 176.4° | 60.0° |
| O1 | C21 | C23 | H28 | 59.9° | 60.0° |
| O1 | C21 | C23 | H29 | 179.9° | 180.0° |
| O1 | C21 | C23 | H30 | 60.1° | 60.0° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C16 | C15 | C20 | C19 | 1.7° | 0.6° |
| C15 | C16 | C17 | O1 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C15 | C14 | H18 | 149.0° | 30.0° |
| C16 | C15 | C14 | H19 | 31.0° | 150.0° |
| C16 | C15 | C20 | H23 | 178.4° | 179.8° |
| C20 | C15 | C16 | C17 | 1.4° | 0.3° |
| C15 | C20 | C19 | H23 | 180.0° | 179.7° |
| C15 | C20 | C19 | C18 | 0.9° | 0.5° |
| C20 | C15 | C14 | H18 | 29.6° | 149.7° |
| C20 | C15 | C14 | H19 | 147.6° | 29.7° |
| C20 | C15 | C16 | H20 | 178.6° | 179.7° |
| C15 | C20 | C19 | H22 | 179.1° | 179.7° |
| C16 | C17 | O1 | C18 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H21 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C20 | C19 | C18 | H22 | 180.0° | 179.8° |
| C20 | C19 | C18 | H21 | 179.9° | 179.8° |
| O1 | C17 | C18 | C19 | 179.7° | 180.0° |
| O1 | C17 | C16 | H20 | 0.5° | 0.1° |
| O1 | C17 | C18 | H21 | 0.3° | 0.0° |
| C17 | O1 | C21 | H24 | 52.7° | 37.6° |
| C17 | C18 | C19 | H21 | 180.0° | 180.0° |
| C18 | C17 | C16 | H20 | 179.6° | 180.0° |
| C17 | C18 | C19 | H22 | 179.9° | 180.0° |
| C2 | N1 | C3 | C6 | 171.5° | 178.2° |
| N1 | C2 | C1 | H3 | 120.4° | 120.0° |
| N1 | C2 | C1 | H4 | 120.5° | 120.0° |
| C2 | N1 | C3 | C4 | 48.7° | 61.7° |
| N1 | C2 | C1 | C5 | 45.4° | 59.3° |
| N1 | C2 | C1 | H1 | 75.5° | 60.6° |
| N1 | C2 | C1 | H2 | 166.3° | 179.2° |
| N1 | C2 | H3 | H4 | 118.6° | 119.9° |
| C2 | N1 | C3 | H6 | 70.2° | 58.3° |
| C2 | N1 | C14 | H18 | 175.8° | 175.5° |
| C2 | N1 | C14 | H19 | 57.8° | 55.5° |
| N1 | C3 | C6 | C4 | 124.5° | 120.1° |
| N1 | C3 | C6 | H6 | 118.3° | 120.0° |
| C3 | N1 | C2 | C1 | 45.9° | 61.7° |
| N1 | C3 | C4 | H6 | 119.0° | 120.0° |
| N1 | C3 | C4 | C5 | 50.0° | 59.2° |
| C3 | N1 | C2 | H3 | 166.4° | 58.3° |
| C3 | N1 | C2 | H4 | 74.6° | 178.2° |
| N1 | C3 | C4 | H7 | 170.6° | 179.2° |
| N1 | C3 | C4 | H8 | 70.5° | 60.7° |
| N1 | C3 | C6 | H9 | 180.0° | 61.9° |
| N1 | C3 | C6 | H10 | 60.0° | 178.1° |
| N1 | C3 | C6 | H11 | 60.0° | 58.1° |
| C3 | N1 | C14 | H18 | 50.2° | 51.2° |
| C3 | N1 | C14 | H19 | 168.2° | 68.8° |
| C6 | C3 | C4 | H6 | 117.4° | 119.9° |
| C6 | C3 | C4 | C5 | 173.7° | 179.3° |
| C6 | C3 | C4 | H7 | 65.7° | 60.7° |
| C6 | C3 | C4 | H8 | 53.1° | 59.4° |
| C3 | C6 | H9 | H10 | 120.0° | 120.0° |
| C3 | C6 | H9 | H11 | 120.0° | 119.9° |
| C3 | C6 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | C20 | H23 | 179.1° | 179.8° |
| C2 | C1 | C5 | H1 | 120.9° | 119.9° |
| C2 | C1 | C5 | H2 | 120.9° | 119.9° |
| C2 | C1 | C5 | C4 | 47.6° | 57.9° |
| C2 | C1 | C5 | C7 | 163.4° | 177.6° |
| C2 | C1 | C5 | N2 | 82.2° | 61.0° |
| C2 | C1 | H1 | H2 | 117.2° | 120.2° |
| C1 | C2 | H3 | H4 | 118.6° | 120.0° |
| C3 | C4 | C5 | C1 | 49.5° | 57.8° |
| C3 | C4 | C5 | H7 | 120.6° | 120.0° |
| C3 | C4 | C5 | H8 | 120.6° | 119.9° |
| C3 | C4 | C5 | C7 | 166.4° | 177.6° |
| C3 | C4 | C5 | N2 | 83.0° | 61.1° |
| C3 | C4 | H7 | H8 | 118.2° | 120.1° |
| C4 | C3 | C6 | H9 | 55.5° | 58.3° |
| C4 | C3 | C6 | H10 | 175.5° | 61.8° |
| C4 | C3 | C6 | H11 | 64.4° | 178.2° |
| C1 | C5 | C4 | C7 | 116.8° | 119.8° |
| C1 | C5 | C4 | N2 | 132.5° | 118.9° |
| C1 | C5 | C7 | N2 | 123.5° | 120.3° |
| C1 | C5 | C7 | N3 | 85.6° | 140.9° |
| C1 | C5 | N2 | C8 | 65.3° | 58.2° |
| C1 | C5 | N2 | S1 | 87.1° | 121.9° |
| C5 | C1 | H1 | H2 | 117.2° | 120.1° |
| C5 | C1 | C2 | H3 | 165.8° | 60.7° |
| C5 | C1 | C2 | H4 | 75.1° | 179.3° |
| C1 | C5 | C4 | H7 | 170.1° | 177.8° |
| C1 | C5 | C4 | H8 | 71.1° | 62.0° |
| C1 | C5 | C7 | H12 | 154.8° | 99.1° |
| C1 | C5 | C7 | H13 | 34.1° | 20.8° |
| C4 | C5 | C7 | N2 | 116.7° | 120.2° |
| C4 | C5 | C7 | N3 | 154.5° | 99.6° |
| C4 | C5 | N2 | C8 | 64.9° | 60.8° |
| C4 | C5 | N2 | S1 | 142.8° | 119.2° |
| C4 | C5 | C1 | H1 | 73.3° | 62.0° |
| C4 | C5 | C1 | H2 | 168.5° | 177.8° |
| C5 | C4 | C3 | H6 | 68.9° | 60.8° |
| C5 | C4 | H7 | H8 | 118.1° | 120.2° |
| C4 | C5 | C7 | H12 | 34.9° | 20.4° |
| C4 | C5 | C7 | H13 | 85.8° | 140.3° |
| C5 | C7 | N3 | H12 | 119.6° | 120.0° |
| C5 | C7 | N3 | H13 | 119.7° | 120.0° |
| C7 | C5 | N2 | C8 | 177.6° | 178.8° |
| C7 | C5 | N2 | S1 | 30.1° | 1.3° |
| C5 | C7 | N3 | S1 | 32.4° | 29.5° |
| C5 | C7 | N3 | C24 | 164.3° | 150.6° |
| C7 | C5 | C1 | H1 | 42.5° | 57.7° |
| C7 | C5 | C1 | H2 | 75.7° | 62.4° |
| C7 | C5 | C4 | H7 | 73.1° | 62.5° |
| C7 | C5 | C4 | H8 | 45.7° | 57.7° |
| C5 | C7 | H12 | H13 | 121.0° | 119.9° |
| N2 | C5 | C7 | N3 | 37.9° | 20.6° |
| C5 | N2 | C8 | C9 | 80.7° | 89.5° |
| C5 | N2 | C8 | S1 | 152.3° | 179.9° |
| C5 | N2 | C8 | C13 | 101.6° | 90.2° |
| C5 | N2 | S1 | N3 | 11.3° | 15.4° |
| C5 | N2 | S1 | O3 | 102.0° | 97.0° |
| C5 | N2 | S1 | O2 | 124.5° | 127.9° |
| N2 | C5 | C1 | H1 | 156.9° | 179.1° |
| N2 | C5 | C1 | H2 | 38.7° | 58.9° |
| N2 | C5 | C4 | H7 | 37.6° | 58.9° |
| N2 | C5 | C4 | H8 | 156.4° | 179.0° |
| N2 | C5 | C7 | H12 | 81.8° | 140.7° |
| N2 | C5 | C7 | H13 | 157.6° | 99.4° |
| C7 | N3 | S1 | N2 | 12.6° | 27.0° |
| C7 | N3 | S1 | C24 | 129.4° | 180.0° |
| C7 | N3 | S1 | O3 | 129.0° | 85.5° |
| C7 | N3 | S1 | O2 | 93.1° | 139.4° |
| N3 | C7 | H12 | H13 | 121.0° | 120.0° |
| C7 | N3 | C24 | H31 | 128.8° | 90.0° |
| C7 | N3 | C24 | H32 | 8.8° | 150.0° |
| C7 | N3 | C24 | H33 | 111.2° | 30.1° |
| C10 | C9 | C8 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | H15 | 180.0° | 179.9° |
| C10 | C9 | C8 | N2 | 178.6° | 179.9° |
| C10 | C9 | C8 | C13 | 1.1° | 0.2° |
| C9 | C10 | C11 | C12 | 0.9° | 0.0° |
| C9 | C10 | C11 | H16 | 179.1° | 179.9° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | C8 | N2 | C13 | 177.7° | 179.7° |
| C9 | C8 | N2 | S1 | 71.7° | 90.6° |
| C9 | C8 | C13 | C12 | 0.5° | 0.5° |
| C8 | C9 | C10 | H15 | 178.8° | 179.9° |
| C9 | C8 | C13 | H17 | 179.5° | 179.7° |
| C10 | C11 | C12 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.3° |
| C10 | C11 | C12 | F1 | 179.7° | 180.0° |
| C11 | C10 | C9 | H14 | 178.8° | 179.9° |
| N2 | C8 | C13 | C12 | 178.4° | 179.8° |
| C8 | N2 | S1 | N3 | 168.3° | 164.5° |
| C8 | N2 | S1 | O3 | 55.0° | 83.0° |
| C8 | N2 | S1 | O2 | 78.5° | 52.0° |
| N2 | C8 | C9 | H14 | 1.4° | 0.1° |
| N2 | C8 | C13 | H17 | 1.6° | 0.0° |
| C13 | C8 | N2 | S1 | 106.0° | 89.7° |
| C8 | C13 | C12 | C11 | 0.1° | 0.6° |
| C8 | C13 | C12 | H17 | 180.0° | 179.7° |
| C8 | C13 | C12 | F1 | 179.9° | 179.8° |
| C13 | C8 | C9 | H14 | 178.9° | 179.8° |
| N2 | S1 | N3 | O3 | 116.4° | 112.4° |
| N2 | S1 | N3 | O2 | 105.7° | 112.5° |
| N2 | S1 | N3 | C24 | 142.0° | 153.1° |
| N2 | S1 | O3 | O2 | 124.3° | 125.6° |
| C11 | C12 | C13 | F1 | 180.0° | 179.7° |
| C12 | C11 | C10 | H15 | 179.1° | 179.9° |
| C11 | C12 | C13 | H17 | 179.8° | 179.7° |
| C13 | C12 | C11 | H16 | 179.7° | 179.8° |
| F1 | C12 | C11 | H16 | 0.3° | 0.1° |
| F1 | C12 | C13 | H17 | 0.1° | 0.0° |
| N3 | S1 | O3 | O2 | 133.2° | 125.7° |
| S1 | N3 | C7 | H12 | 87.2° | 149.5° |
| S1 | N3 | C7 | H13 | 152.1° | 90.5° |
| S1 | N3 | C24 | H31 | 0.0° | 90.0° |
| S1 | N3 | C24 | H32 | 120.0° | 30.0° |
| S1 | N3 | C24 | H33 | 120.0° | 150.0° |
| C24 | N3 | S1 | O3 | 101.7° | 94.5° |
| C24 | N3 | S1 | O2 | 36.3° | 40.6° |
| C24 | N3 | C7 | H12 | 44.7° | 30.5° |
| C24 | N3 | C7 | H13 | 76.0° | 89.4° |
| N3 | C24 | H31 | H32 | 120.0° | 120.1° |
| N3 | C24 | H31 | H33 | 120.0° | 120.0° |
| N3 | C24 | H32 | H33 | 119.9° | 120.0° |
| H1 | C1 | C2 | H3 | 44.9° | 179.4° |
| H1 | C1 | C2 | H4 | 164.0° | 59.4° |
| H2 | C1 | C2 | H3 | 73.3° | 59.2° |
| H2 | C1 | C2 | H4 | 45.8° | 60.8° |
| H6 | C3 | C4 | H7 | 51.6° | 59.2° |
| H6 | C3 | C4 | H8 | 170.5° | 179.3° |
| H6 | C3 | C6 | H9 | 61.7° | 178.2° |
| H6 | C3 | C6 | H10 | 58.3° | 58.1° |
| H6 | C3 | C6 | H11 | 178.3° | 61.9° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H14 | C9 | C10 | H15 | 1.2° | 0.0° |
| H15 | C10 | C11 | H16 | 0.9° | 0.0° |
| H21 | C18 | C19 | H22 | 0.1° | 0.0° |
| H22 | C19 | C20 | H23 | 0.9° | 0.0° |
| H24 | C21 | C22 | H25 | 59.8° | 60.0° |
| H24 | C21 | C22 | H26 | 179.8° | 60.1° |
| H24 | C21 | C22 | H27 | 60.2° | 180.0° |
| H24 | C21 | C23 | H28 | 59.7° | 60.0° |
| H24 | C21 | C23 | H29 | 60.3° | 60.1° |
| H24 | C21 | C23 | H30 | 179.7° | 180.0° |
| H25 | C22 | H26 | H27 | 120.0° | 120.0° |
| H28 | C23 | H29 | H30 | 120.0° | 120.0° |
| H31 | C24 | H32 | H33 | 120.0° | 120.0° |
