503
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | S | sing | 1.66Å | 1.62Å | |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| S | C16 | sing | 1.76Å | 1.76Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N1 | sing | 1.47Å | 1.48Å | |
| C22 | N1 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | O2 | sing | 1.43Å | 1.45Å | |
| O2 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O1 | doub | 1.22Å | 1.21Å | |
| C9 | C8 | sing | 1.42Å | 1.49Å | |
| F | C5 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.46Å | Aromatic |
| C8 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.35Å | 1.34Å | |
| C1 | N | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N | sing | 1.38Å | 1.38Å | Aromatic |
| O | C | sing | 1.43Å | 1.45Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S | N2 | 106.5° | 106.4° |
| O3 | S | C16 | 107.7° | 106.5° |
| O3 | S | O4 | 119.2° | 123.1° |
| C20 | C21 | C16 | 119.1° | 120.0° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C20 | C21 | H1 | 120.5° | 120.0° |
| C21 | C20 | H2 | 119.8° | 120.0° |
| C21 | C16 | S | 119.4° | 120.0° |
| C21 | C16 | C17 | 121.0° | 120.0° |
| C16 | C21 | H1 | 120.4° | 120.0° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C19 | C20 | H2 | 119.8° | 120.0° |
| C20 | C19 | H3 | 120.0° | 120.0° |
| S | N2 | C15 | 123.9° | 120.0° |
| N2 | S | C16 | 107.6° | 107.2° |
| N2 | S | O4 | 107.2° | 106.3° |
| S | N2 | H6 | 105.8° | 120.0° |
| N2 | C15 | C14 | 110.2° | 109.5° |
| C15 | N2 | H6 | 105.8° | 120.0° |
| N2 | C15 | H7 | 109.3° | 109.5° |
| N2 | C15 | H8 | 109.3° | 109.5° |
| C16 | S | O4 | 108.0° | 106.4° |
| S | C16 | C17 | 119.5° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C16 | C17 | H5 | 120.5° | 119.9° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C18 | C19 | H3 | 120.0° | 120.0° |
| C19 | C18 | H4 | 119.7° | 120.0° |
| C15 | C14 | N1 | 117.9° | 109.5° |
| C14 | C15 | H7 | 109.3° | 109.5° |
| C14 | C15 | H8 | 109.3° | 109.5° |
| C15 | C14 | H9 | 107.3° | 109.5° |
| C15 | C14 | H10 | 107.3° | 109.5° |
| C17 | C18 | H4 | 119.8° | 120.0° |
| C18 | C17 | H5 | 120.5° | 120.0° |
| C14 | N1 | C22 | 115.6° | 111.0° |
| C14 | N1 | C13 | 115.9° | 111.0° |
| N1 | C14 | H9 | 107.3° | 109.5° |
| N1 | C14 | H10 | 107.3° | 109.5° |
| N1 | C22 | C23 | 110.0° | 109.5° |
| C22 | N1 | C13 | 109.9° | 111.2° |
| N1 | C22 | H16 | 109.3° | 109.4° |
| N1 | C22 | H17 | 109.3° | 109.4° |
| C22 | C23 | C11 | 112.3° | 109.3° |
| C23 | C22 | H16 | 109.3° | 109.5° |
| C23 | C22 | H17 | 109.3° | 109.5° |
| C22 | C23 | H18 | 108.8° | 109.5° |
| C22 | C23 | H19 | 108.8° | 109.5° |
| N1 | C13 | C12 | 110.5° | 109.6° |
| N1 | C13 | H12 | 109.2° | 109.5° |
| N1 | C13 | H13 | 109.2° | 109.4° |
| C13 | C12 | C11 | 112.5° | 109.2° |
| C12 | C13 | H12 | 109.2° | 109.4° |
| C12 | C13 | H13 | 109.2° | 109.5° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C13 | C12 | H15 | 108.7° | 109.6° |
| C23 | C11 | C12 | 110.0° | 109.2° |
| C23 | C11 | C10 | 112.4° | 109.5° |
| C11 | C23 | H18 | 108.8° | 109.5° |
| C11 | C23 | H19 | 108.7° | 109.5° |
| C23 | C11 | H20 | 107.0° | 109.5° |
| C12 | C11 | C10 | 113.1° | 109.5° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C11 | C12 | H15 | 108.7° | 109.5° |
| C12 | C11 | H20 | 107.0° | 109.6° |
| C11 | C10 | O2 | 111.9° | 109.5° |
| C10 | C11 | H20 | 107.1° | 109.6° |
| C11 | C10 | H21 | 108.9° | 109.5° |
| C11 | C10 | H22 | 108.9° | 109.5° |
| C10 | O2 | C9 | 116.5° | 117.0° |
| O2 | C10 | H21 | 108.8° | 109.4° |
| O2 | C10 | H22 | 108.9° | 109.5° |
| O2 | C9 | O1 | 123.2° | 120.0° |
| O2 | C9 | C8 | 113.0° | 120.0° |
| O1 | C9 | C8 | 123.8° | 120.0° |
| C9 | C8 | C7 | 129.7° | 126.9° |
| C9 | C8 | C1 | 125.3° | 126.9° |
| F | C5 | C6 | 117.7° | 119.9° |
| F | C5 | C4 | 118.1° | 119.9° |
| C5 | C6 | C7 | 117.8° | 119.7° |
| C6 | C5 | C4 | 124.0° | 120.2° |
| C5 | C6 | H27 | 121.1° | 120.1° |
| C6 | C7 | C8 | 134.5° | 133.7° |
| C6 | C7 | C2 | 118.8° | 120.2° |
| C7 | C6 | H27 | 121.1° | 120.2° |
| C5 | C4 | C3 | 118.6° | 120.6° |
| C5 | C4 | H28 | 120.7° | 119.7° |
| C7 | C8 | C1 | 104.9° | 106.2° |
| C8 | C7 | C2 | 106.7° | 106.1° |
| C8 | C1 | O | 132.3° | 125.4° |
| C8 | C1 | N | 111.2° | 109.3° |
| C7 | C2 | C3 | 121.8° | 119.3° |
| C7 | C2 | N | 108.4° | 107.9° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C3 | C4 | H28 | 120.7° | 119.7° |
| C4 | C3 | H29 | 120.5° | 120.0° |
| O | C1 | N | 116.4° | 125.3° |
| C1 | O | C | 119.5° | 117.0° |
| C1 | N | C2 | 108.8° | 110.5° |
| C1 | N | H26 | 125.6° | 124.7° |
| C3 | C2 | N | 129.8° | 132.8° |
| C2 | C3 | H29 | 120.5° | 120.0° |
| C2 | N | H26 | 125.6° | 124.8° |
| O | C | H23 | 109.5° | 109.5° |
| O | C | H24 | 109.5° | 109.5° |
| O | C | H25 | 109.4° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.4° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.5° | 109.4° |
| H24 | C | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S | C16 | C21 | 57.4° | 156.7° |
| O3 | S | N2 | C16 | 115.3° | 113.6° |
| O3 | S | N2 | O4 | 128.7° | 132.9° |
| O3 | S | N2 | C15 | 164.0° | 178.6° |
| O3 | S | C16 | O4 | 130.0° | 132.9° |
| O3 | S | C16 | C17 | 121.3° | 23.5° |
| O3 | S | N2 | H6 | 42.1° | 1.4° |
| C20 | C21 | C16 | H1 | 180.0° | 180.0° |
| C21 | C20 | C19 | H2 | 180.0° | 179.9° |
| C20 | C21 | C16 | S | 178.4° | 180.0° |
| C20 | C21 | C16 | C17 | 0.3° | 0.2° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C21 | C20 | C19 | H3 | 179.8° | 180.0° |
| C16 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C16 | S | N2 | 57.2° | 89.7° |
| C21 | C16 | S | C17 | 178.7° | 179.8° |
| C21 | C16 | S | O4 | 172.6° | 23.7° |
| C21 | C16 | C17 | C18 | 0.5° | 0.4° |
| C16 | C21 | C20 | H2 | 180.0° | 179.9° |
| C21 | C16 | C17 | H5 | 179.5° | 179.8° |
| C20 | C19 | C18 | H3 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C19 | C20 | C21 | H1 | 180.0° | 180.0° |
| C20 | C19 | C18 | H4 | 179.9° | 180.0° |
| S | N2 | C15 | H6 | 122.0° | 180.0° |
| N2 | S | C16 | O4 | 115.5° | 113.5° |
| N2 | S | C16 | C17 | 124.2° | 90.1° |
| S | N2 | C15 | C14 | 73.4° | 165.0° |
| S | N2 | C15 | H7 | 46.7° | 75.0° |
| S | N2 | C15 | H8 | 166.6° | 45.0° |
| C15 | N2 | S | C16 | 48.7° | 65.0° |
| C15 | N2 | S | O4 | 67.3° | 48.5° |
| N2 | C15 | C14 | H7 | 120.1° | 120.0° |
| N2 | C15 | C14 | H8 | 120.1° | 120.0° |
| N2 | C15 | C14 | N1 | 150.0° | 180.0° |
| N2 | C15 | H7 | H8 | 119.7° | 120.0° |
| N2 | C15 | C14 | H9 | 28.8° | 60.0° |
| N2 | C15 | C14 | H10 | 88.8° | 60.0° |
| S | C16 | C17 | C18 | 178.2° | 179.8° |
| S | C16 | C21 | H1 | 1.7° | 0.0° |
| S | C16 | C17 | H5 | 1.8° | 0.0° |
| C16 | S | N2 | H6 | 73.3° | 115.0° |
| O4 | S | C16 | C17 | 8.7° | 156.5° |
| O4 | S | N2 | H6 | 170.7° | 131.5° |
| C16 | C17 | C18 | C19 | 0.4° | 0.4° |
| C16 | C17 | C18 | H5 | 180.0° | 179.8° |
| C17 | C16 | C21 | H1 | 179.7° | 179.8° |
| C16 | C17 | C18 | H4 | 179.6° | 179.7° |
| C19 | C18 | C17 | H4 | 180.0° | 179.9° |
| C18 | C19 | C20 | H2 | 179.9° | 180.0° |
| C19 | C18 | C17 | H5 | 179.6° | 179.8° |
| C15 | C14 | N1 | H9 | 121.2° | 120.0° |
| C15 | C14 | N1 | H10 | 121.2° | 120.0° |
| C15 | C14 | N1 | C22 | 67.2° | 65.8° |
| C15 | C14 | N1 | C13 | 63.5° | 170.0° |
| C14 | C15 | N2 | H6 | 164.6° | 15.0° |
| C14 | C15 | H7 | H8 | 119.7° | 120.0° |
| C15 | C14 | H9 | H10 | 116.2° | 120.0° |
| C17 | C18 | C19 | H3 | 180.0° | 179.8° |
| C14 | N1 | C22 | C13 | 133.5° | 124.2° |
| C14 | N1 | C22 | C23 | 163.7° | 174.1° |
| C14 | N1 | C13 | C12 | 164.5° | 174.1° |
| N1 | C14 | C15 | H7 | 89.9° | 60.0° |
| N1 | C14 | C15 | H8 | 29.9° | 60.0° |
| N1 | C14 | H9 | H10 | 116.2° | 120.0° |
| C14 | N1 | C13 | H12 | 44.3° | 54.1° |
| C14 | N1 | C13 | H13 | 75.4° | 65.8° |
| C14 | N1 | C22 | H16 | 76.3° | 65.9° |
| C14 | N1 | C22 | H17 | 43.6° | 54.1° |
| N1 | C22 | C23 | H16 | 120.1° | 120.0° |
| N1 | C22 | C23 | H17 | 120.1° | 120.0° |
| C22 | N1 | C13 | C12 | 62.1° | 61.7° |
| N1 | C22 | C23 | C11 | 57.2° | 59.1° |
| C22 | N1 | C14 | H9 | 54.0° | 174.2° |
| C22 | N1 | C14 | H10 | 171.6° | 54.3° |
| C22 | N1 | C13 | H12 | 177.7° | 178.2° |
| C22 | N1 | C13 | H13 | 58.0° | 58.3° |
| N1 | C22 | H16 | H17 | 119.7° | 120.0° |
| N1 | C22 | C23 | H18 | 177.6° | 179.1° |
| N1 | C22 | C23 | H19 | 63.2° | 60.8° |
| C23 | C22 | N1 | C13 | 62.8° | 61.7° |
| C22 | C23 | C11 | H18 | 120.4° | 120.0° |
| C22 | C23 | C11 | H19 | 120.4° | 119.9° |
| C22 | C23 | C11 | C12 | 49.6° | 57.7° |
| C22 | C23 | C11 | C10 | 176.5° | 177.6° |
| C23 | C22 | H16 | H17 | 119.8° | 120.0° |
| C22 | C23 | H18 | H19 | 118.7° | 120.1° |
| C22 | C23 | C11 | H20 | 66.3° | 62.3° |
| N1 | C13 | C12 | H12 | 120.2° | 120.1° |
| N1 | C13 | C12 | H13 | 120.1° | 120.0° |
| N1 | C13 | C12 | C11 | 55.6° | 59.1° |
| C13 | N1 | C14 | H9 | 175.3° | 50.0° |
| C13 | N1 | C14 | H10 | 57.7° | 70.0° |
| N1 | C13 | H12 | H13 | 119.5° | 119.9° |
| N1 | C13 | C12 | H14 | 64.9° | 60.8° |
| N1 | C13 | C12 | H15 | 176.0° | 179.1° |
| C13 | N1 | C22 | H16 | 57.2° | 58.3° |
| C13 | N1 | C22 | H17 | 177.1° | 178.3° |
| C13 | C12 | C11 | C23 | 48.7° | 57.6° |
| C13 | C12 | C11 | H14 | 120.5° | 119.9° |
| C13 | C12 | C11 | H15 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 175.2° | 177.5° |
| C12 | C13 | H12 | H13 | 119.5° | 119.9° |
| C13 | C12 | H14 | H15 | 118.6° | 120.1° |
| C13 | C12 | C11 | H20 | 67.1° | 62.3° |
| C23 | C11 | C12 | C10 | 126.5° | 119.9° |
| C23 | C11 | C12 | H20 | 115.8° | 119.9° |
| C23 | C11 | C10 | H20 | 117.2° | 120.1° |
| C23 | C11 | C10 | O2 | 71.6° | 175.0° |
| C23 | C11 | C12 | H14 | 71.7° | 62.2° |
| C23 | C11 | C12 | H15 | 169.2° | 177.6° |
| C11 | C23 | C22 | H16 | 62.9° | 60.8° |
| C11 | C23 | C22 | H17 | 177.3° | 179.1° |
| C11 | C23 | H18 | H19 | 118.7° | 120.1° |
| C23 | C11 | C10 | H21 | 168.0° | 55.0° |
| C23 | C11 | C10 | H22 | 48.7° | 65.0° |
| C12 | C11 | C10 | H20 | 117.6° | 120.2° |
| C12 | C11 | C10 | O2 | 53.6° | 65.3° |
| C11 | C12 | C13 | H12 | 175.7° | 179.2° |
| C11 | C12 | C13 | H13 | 64.6° | 60.9° |
| C11 | C12 | H14 | H15 | 118.6° | 120.1° |
| C12 | C11 | C23 | H18 | 170.0° | 177.7° |
| C12 | C11 | C23 | H19 | 70.9° | 62.2° |
| C12 | C11 | C10 | H21 | 66.7° | 174.7° |
| C12 | C11 | C10 | H22 | 174.0° | 54.7° |
| C11 | C10 | O2 | H21 | 120.4° | 120.0° |
| C11 | C10 | O2 | H22 | 120.4° | 120.0° |
| C11 | C10 | O2 | C9 | 169.8° | 180.0° |
| C10 | C11 | C12 | H14 | 54.8° | 57.7° |
| C10 | C11 | C12 | H15 | 64.3° | 62.5° |
| C10 | C11 | C23 | H18 | 63.1° | 62.5° |
| C10 | C11 | C23 | H19 | 56.0° | 57.6° |
| C11 | C10 | H21 | H22 | 118.9° | 120.0° |
| C10 | O2 | C9 | O1 | 3.7° | 0.0° |
| C10 | O2 | C9 | C8 | 176.7° | 179.9° |
| O2 | C10 | C11 | H20 | 171.2° | 54.8° |
| O2 | C10 | H21 | H22 | 118.9° | 120.0° |
| O2 | C9 | O1 | C8 | 179.6° | 179.9° |
| O2 | C9 | C8 | C7 | 24.2° | 90.0° |
| O2 | C9 | C8 | C1 | 159.2° | 90.4° |
| C9 | O2 | C10 | H21 | 49.5° | 60.0° |
| C9 | O2 | C10 | H22 | 69.8° | 60.0° |
| O1 | C9 | C8 | C7 | 156.1° | 89.9° |
| O1 | C9 | C8 | C1 | 20.4° | 89.7° |
| C9 | C8 | C7 | C6 | 4.7° | 0.0° |
| C9 | C8 | C7 | C1 | 177.1° | 179.7° |
| C9 | C8 | C7 | C2 | 176.7° | 180.0° |
| C9 | C8 | C1 | O | 0.8° | 0.1° |
| C9 | C8 | C1 | N | 177.1° | 180.0° |
| F | C5 | C6 | C4 | 175.0° | 180.0° |
| F | C5 | C6 | C7 | 172.4° | 180.0° |
| F | C5 | C4 | C3 | 172.4° | 180.0° |
| F | C5 | C6 | H27 | 7.5° | 0.1° |
| F | C5 | C4 | H28 | 7.6° | 0.0° |
| C5 | C6 | C7 | H27 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 177.7° | 180.0° |
| C5 | C6 | C7 | C2 | 0.7° | 0.0° |
| C6 | C5 | C4 | C3 | 2.6° | 0.1° |
| C6 | C5 | C4 | H28 | 177.4° | 180.0° |
| C7 | C6 | C5 | C4 | 2.6° | 0.1° |
| C6 | C7 | C8 | C2 | 178.5° | 180.0° |
| C6 | C7 | C8 | C1 | 178.2° | 179.7° |
| C6 | C7 | C2 | C3 | 1.2° | 0.0° |
| C6 | C7 | C2 | N | 178.4° | 179.8° |
| C5 | C4 | C3 | H28 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | H27 | 177.4° | 180.0° |
| C5 | C4 | C3 | H29 | 179.4° | 180.0° |
| C7 | C8 | C1 | O | 176.5° | 179.8° |
| C7 | C8 | C1 | N | 0.2° | 0.2° |
| C8 | C7 | C2 | C3 | 180.0° | 180.0° |
| C8 | C7 | C2 | N | 0.4° | 0.2° |
| C8 | C7 | C6 | H27 | 2.3° | 0.1° |
| C1 | C8 | C7 | C2 | 0.4° | 0.3° |
| C8 | C1 | O | N | 176.2° | 180.0° |
| C8 | C1 | N | C2 | 0.1° | 0.1° |
| C8 | C1 | O | C | 130.8° | 180.0° |
| C8 | C1 | N | H26 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 1.2° | 0.0° |
| C7 | C2 | N | C1 | 0.3° | 0.0° |
| C7 | C2 | C3 | N | 179.5° | 179.7° |
| C7 | C2 | N | H26 | 179.7° | 179.9° |
| C2 | C7 | C6 | H27 | 179.4° | 179.9° |
| C7 | C2 | C3 | H29 | 178.8° | 180.0° |
| C4 | C3 | C2 | H29 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 178.2° | 179.8° |
| O | C1 | N | C2 | 176.9° | 179.9° |
| C1 | O | C | H23 | 180.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 60.1° |
| C1 | O | C | H25 | 60.0° | 180.0° |
| O | C1 | N | H26 | 3.1° | 0.0° |
| C1 | N | C2 | C3 | 179.9° | 179.8° |
| C1 | N | C2 | H26 | 180.0° | 179.9° |
| N | C1 | O | C | 53.0° | 0.0° |
| C3 | C2 | N | H26 | 0.1° | 0.1° |
| C2 | C3 | C4 | H28 | 179.4° | 180.0° |
| N | C2 | C3 | H29 | 1.8° | 0.3° |
| O | C | H23 | H24 | 120.0° | 120.1° |
| O | C | H23 | H25 | 120.0° | 120.0° |
| O | C | H24 | H25 | 120.0° | 120.0° |
| H1 | C21 | C20 | H2 | 0.0° | 0.1° |
| H2 | C20 | C19 | H3 | 0.2° | 0.1° |
| H3 | C19 | C18 | H4 | 0.0° | 0.1° |
| H4 | C18 | C17 | H5 | 0.4° | 0.1° |
| H6 | N2 | C15 | H7 | 75.2° | 105.0° |
| H6 | N2 | C15 | H8 | 44.6° | 135.0° |
| H7 | C15 | C14 | H9 | 148.9° | 180.0° |
| H7 | C15 | C14 | H10 | 31.3° | 60.1° |
| H8 | C15 | C14 | H9 | 91.3° | 60.1° |
| H8 | C15 | C14 | H10 | 151.1° | 180.0° |
| H12 | C13 | C12 | H14 | 55.3° | 59.3° |
| H12 | C13 | C12 | H15 | 63.8° | 60.8° |
| H13 | C13 | C12 | H14 | 175.0° | 179.2° |
| H13 | C13 | C12 | H15 | 55.9° | 59.1° |
| H14 | C12 | C11 | H20 | 172.4° | 177.8° |
| H15 | C12 | C11 | H20 | 53.4° | 57.7° |
| H16 | C22 | C23 | H18 | 57.6° | 59.2° |
| H16 | C22 | C23 | H19 | 176.7° | 179.2° |
| H17 | C22 | C23 | H18 | 62.3° | 60.9° |
| H17 | C22 | C23 | H19 | 56.8° | 59.2° |
| H18 | C23 | C11 | H20 | 54.2° | 57.7° |
| H19 | C23 | C11 | H20 | 173.3° | 177.8° |
| H20 | C11 | C10 | H21 | 50.8° | 65.1° |
| H20 | C11 | C10 | H22 | 68.5° | 174.9° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
| H28 | C4 | C3 | H29 | 0.6° | 0.0° |
