62T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C29 | doub | 1.32Å | 1.38Å | Aromatic |
| N3 | C30 | sing | 1.32Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C25 | doub | 1.40Å | 1.43Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.52Å | |
| C26 | C27 | sing | 1.51Å | 1.56Å | |
| C24 | O4 | doub | 1.22Å | 1.22Å | |
| C24 | N2 | sing | 1.35Å | 1.40Å | |
| C21 | C20 | sing | 1.53Å | 1.58Å | |
| N2 | C31 | sing | 1.47Å | 1.51Å | |
| N2 | C20 | sing | 1.47Å | 1.49Å | |
| F3 | C27 | sing | 1.40Å | 1.33Å | |
| C27 | F5 | sing | 1.40Å | 1.32Å | |
| C27 | F4 | sing | 1.40Å | 1.32Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C20 | C1 | sing | 1.53Å | 1.58Å | |
| C32 | C | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.57Å | |
| C1 | O3 | sing | 1.43Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C14 | N | sing | 1.47Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| O3 | C15 | sing | 1.36Å | 1.37Å | |
| C2 | N | sing | 1.35Å | 1.40Å | |
| C2 | O | doub | 1.21Å | 1.25Å | |
| N | C3 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C13 | N1 | sing | 1.47Å | 1.50Å | |
| C15 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.41Å | Aromatic |
| C19 | C17 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.54Å | |
| N1 | C5 | sing | 1.40Å | 1.46Å | |
| C16 | S | sing | 1.76Å | 1.68Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | S | sing | 1.76Å | 1.68Å | Aromatic |
| O1 | C10 | sing | 1.36Å | 1.38Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| F | C18 | sing | 1.40Å | 1.31Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | O2 | sing | 1.43Å | 1.41Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C18 | F1 | sing | 1.40Å | 1.31Å | |
| C18 | F2 | sing | 1.40Å | 1.30Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N3 | C30 | 121.1° | 121.9° |
| N3 | C29 | C28 | 120.7° | 121.1° |
| N3 | C29 | H24 | 119.7° | 119.5° |
| N3 | C30 | C25 | 119.7° | 120.6° |
| N3 | C30 | H25 | 120.1° | 119.7° |
| C29 | C28 | C26 | 119.4° | 119.3° |
| C28 | C29 | H24 | 119.7° | 119.4° |
| C29 | C28 | H28 | 120.3° | 120.3° |
| C30 | C25 | C26 | 119.9° | 118.9° |
| C30 | C25 | C24 | 116.0° | 120.5° |
| C25 | C30 | H25 | 120.1° | 119.7° |
| C28 | C26 | C25 | 119.2° | 118.3° |
| C28 | C26 | C27 | 120.6° | 120.9° |
| C26 | C28 | H28 | 120.3° | 120.3° |
| C23 | C22 | C21 | 112.1° | 109.5° |
| C23 | C22 | H19 | 108.8° | 109.5° |
| C23 | C22 | H20 | 108.8° | 109.4° |
| C22 | C23 | H21 | 109.5° | 109.4° |
| C22 | C23 | H22 | 109.4° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C21 | C20 | 116.4° | 109.5° |
| C21 | C22 | H19 | 108.8° | 109.5° |
| C21 | C22 | H20 | 108.8° | 109.4° |
| C22 | C21 | H33 | 107.7° | 109.5° |
| C22 | C21 | H34 | 107.7° | 109.5° |
| C26 | C25 | C24 | 124.0° | 120.6° |
| C25 | C26 | C27 | 120.2° | 120.9° |
| C25 | C24 | O4 | 118.2° | 120.0° |
| C25 | C24 | N2 | 115.4° | 120.0° |
| C26 | C27 | F3 | 113.4° | 109.5° |
| C26 | C27 | F5 | 113.7° | 109.5° |
| C26 | C27 | F4 | 111.8° | 109.5° |
| O4 | C24 | N2 | 126.4° | 120.0° |
| C24 | N2 | C31 | 122.9° | 120.7° |
| C24 | N2 | C20 | 117.3° | 120.6° |
| C21 | C20 | N2 | 108.5° | 109.7° |
| C21 | C20 | C1 | 115.7° | 109.6° |
| C21 | C20 | H18 | 106.8° | 109.6° |
| C20 | C21 | H33 | 107.7° | 109.5° |
| C20 | C21 | H34 | 107.7° | 109.5° |
| C31 | N2 | C20 | 118.7° | 118.7° |
| N2 | C31 | C32 | 113.5° | 108.8° |
| N2 | C31 | H29 | 108.5° | 109.6° |
| N2 | C31 | H30 | 108.5° | 109.6° |
| N2 | C20 | C1 | 110.8° | 108.8° |
| N2 | C20 | H18 | 107.9° | 109.6° |
| F3 | C27 | F5 | 105.7° | 109.5° |
| F3 | C27 | F4 | 106.0° | 109.5° |
| F5 | C27 | F4 | 105.6° | 109.4° |
| C31 | C32 | C | 111.0° | 109.3° |
| C31 | C32 | H26 | 109.1° | 109.5° |
| C31 | C32 | H27 | 109.1° | 109.6° |
| C32 | C31 | H29 | 108.5° | 109.5° |
| C32 | C31 | H30 | 108.4° | 109.6° |
| C20 | C1 | C | 107.2° | 109.3° |
| C20 | C1 | O3 | 103.7° | 109.5° |
| C20 | C1 | C2 | 109.5° | 109.5° |
| C1 | C20 | H18 | 106.8° | 109.6° |
| C32 | C | C1 | 112.7° | 109.5° |
| C | C32 | H26 | 109.1° | 109.4° |
| C | C32 | H27 | 109.1° | 109.5° |
| C32 | C | H31 | 108.7° | 109.5° |
| C32 | C | H32 | 108.7° | 109.5° |
| C | C1 | O3 | 110.8° | 109.5° |
| C | C1 | C2 | 113.2° | 109.5° |
| C1 | C | H31 | 108.6° | 109.5° |
| C1 | C | H32 | 108.6° | 109.4° |
| O3 | C1 | C2 | 111.9° | 109.5° |
| C1 | O3 | C15 | 124.2° | 117.0° |
| C1 | C2 | N | 124.3° | 120.0° |
| C1 | C2 | O | 117.4° | 120.0° |
| N | C14 | C13 | 108.4° | 108.5° |
| C14 | N | C2 | 129.0° | 120.9° |
| C14 | N | C3 | 114.1° | 118.2° |
| N | C14 | H14 | 109.8° | 109.7° |
| N | C14 | H15 | 109.7° | 109.7° |
| C14 | C13 | N1 | 109.3° | 109.3° |
| C14 | C13 | H12 | 109.5° | 109.6° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.8° | 109.6° |
| C13 | C14 | H15 | 109.8° | 109.6° |
| O3 | C15 | C19 | 124.6° | 122.6° |
| O3 | C15 | C16 | 123.6° | 122.6° |
| N | C2 | O | 118.3° | 120.0° |
| C2 | N | C3 | 116.9° | 120.9° |
| N | C3 | C4 | 106.8° | 108.5° |
| N | C3 | H1 | 110.1° | 109.7° |
| N | C3 | H2 | 110.2° | 109.8° |
| C3 | C4 | N1 | 112.4° | 109.3° |
| C4 | C3 | H1 | 110.2° | 109.6° |
| C4 | C3 | H2 | 110.1° | 109.6° |
| C3 | C4 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C13 | N1 | C4 | 112.3° | 111.3° |
| C13 | N1 | C5 | 112.9° | 111.0° |
| N1 | C13 | H12 | 109.5° | 109.5° |
| N1 | C13 | H13 | 109.5° | 109.4° |
| C19 | C15 | C16 | 111.8° | 114.8° |
| C15 | C19 | C17 | 108.7° | 114.8° |
| C15 | C19 | H17 | 125.7° | 122.6° |
| C15 | C16 | S | 112.6° | 109.6° |
| C15 | C16 | H16 | 123.7° | 125.2° |
| C19 | C17 | C18 | 119.3° | 125.2° |
| C19 | C17 | S | 116.6° | 109.7° |
| C17 | C19 | H17 | 125.6° | 122.6° |
| C4 | N1 | C5 | 113.3° | 111.0° |
| N1 | C4 | H3 | 108.8° | 109.5° |
| N1 | C4 | H4 | 108.7° | 109.6° |
| N1 | C5 | C6 | 124.2° | 120.1° |
| N1 | C5 | C10 | 118.3° | 120.1° |
| C16 | S | C17 | 90.3° | 91.1° |
| S | C16 | H16 | 123.7° | 125.2° |
| C6 | C5 | C10 | 117.4° | 119.8° |
| C5 | C6 | C7 | 122.0° | 120.0° |
| C5 | C6 | H36 | 119.0° | 120.0° |
| C5 | C10 | O1 | 119.0° | 120.1° |
| C5 | C10 | C9 | 120.4° | 119.9° |
| C18 | C17 | S | 124.1° | 125.2° |
| C17 | C18 | F | 115.6° | 109.5° |
| C17 | C18 | F1 | 113.8° | 109.5° |
| C17 | C18 | F2 | 111.7° | 109.5° |
| C10 | O1 | C11 | 119.7° | 117.1° |
| O1 | C10 | C9 | 120.6° | 120.0° |
| O1 | C11 | C12 | 103.3° | 109.5° |
| O1 | C11 | H8 | 111.0° | 109.4° |
| O1 | C11 | H9 | 111.0° | 109.5° |
| F | C18 | F1 | 104.2° | 109.5° |
| F | C18 | F2 | 104.6° | 109.5° |
| C11 | C12 | O2 | 109.3° | 109.5° |
| C12 | C11 | H8 | 111.0° | 109.5° |
| C12 | C11 | H9 | 111.0° | 109.5° |
| C11 | C12 | H10 | 109.5° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| O2 | C12 | H10 | 109.5° | 109.5° |
| O2 | C12 | H11 | 109.5° | 109.4° |
| C12 | O2 | H35 | 109.5° | 114.1° |
| C6 | C7 | C8 | 119.7° | 120.1° |
| C6 | C7 | H5 | 120.2° | 119.9° |
| C7 | C6 | H36 | 119.0° | 120.0° |
| C10 | C9 | C8 | 119.9° | 120.0° |
| C10 | C9 | H7 | 120.1° | 120.0° |
| F1 | C18 | F2 | 106.1° | 109.4° |
| C7 | C8 | C9 | 120.6° | 120.2° |
| C8 | C7 | H5 | 120.1° | 119.9° |
| C7 | C8 | H6 | 119.7° | 119.9° |
| C9 | C8 | H6 | 119.7° | 119.9° |
| C8 | C9 | H7 | 120.1° | 120.0° |
| H1 | C3 | H2 | 109.5° | 109.6° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.4° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.7° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H23 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.7° |
| H31 | C | H32 | 109.5° | 109.4° |
| H33 | C21 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C29 | C28 | H24 | 180.0° | 179.5° |
| C29 | N3 | C30 | C25 | 0.2° | 0.5° |
| N3 | C29 | C28 | C26 | 0.5° | 0.5° |
| C29 | N3 | C30 | H25 | 179.8° | 179.5° |
| N3 | C29 | C28 | H28 | 179.5° | 180.0° |
| C30 | N3 | C29 | C28 | 0.4° | 0.8° |
| N3 | C30 | C25 | H25 | 180.0° | 180.0° |
| N3 | C30 | C25 | C26 | 0.8° | 0.1° |
| N3 | C30 | C25 | C24 | 175.7° | 179.8° |
| C30 | N3 | C29 | H24 | 179.6° | 179.8° |
| C29 | C28 | C26 | H28 | 180.0° | 179.5° |
| C29 | C28 | C26 | C25 | 0.1° | 0.0° |
| C29 | C28 | C26 | C27 | 178.2° | 180.0° |
| C30 | C25 | C26 | C28 | 0.7° | 0.3° |
| C30 | C25 | C26 | C24 | 176.2° | 179.7° |
| C30 | C25 | C26 | C27 | 178.9° | 179.7° |
| C30 | C25 | C24 | O4 | 109.1° | 148.8° |
| C30 | C25 | C24 | N2 | 70.3° | 31.2° |
| C28 | C26 | C25 | C27 | 178.1° | 180.0° |
| C28 | C26 | C25 | C24 | 175.5° | 180.0° |
| C28 | C26 | C27 | F3 | 103.0° | 120.0° |
| C28 | C26 | C27 | F5 | 17.7° | 0.0° |
| C28 | C26 | C27 | F4 | 137.2° | 120.0° |
| C26 | C28 | C29 | H24 | 179.5° | 180.0° |
| C23 | C22 | C21 | H19 | 120.4° | 120.1° |
| C23 | C22 | C21 | H20 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 49.9° | 174.7° |
| C23 | C22 | H19 | H20 | 118.8° | 120.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H23 | 120.0° | 120.0° |
| C22 | C23 | H22 | H23 | 120.0° | 120.1° |
| C23 | C22 | C21 | H33 | 170.9° | 65.3° |
| C23 | C22 | C21 | H34 | 71.1° | 54.6° |
| C22 | C21 | C20 | H33 | 121.0° | 120.0° |
| C22 | C21 | C20 | H34 | 121.0° | 120.0° |
| C22 | C21 | C20 | N2 | 65.7° | 178.8° |
| C22 | C21 | C20 | C1 | 169.1° | 61.8° |
| C22 | C21 | C20 | H18 | 50.4° | 58.4° |
| C21 | C22 | H19 | H20 | 118.8° | 120.0° |
| C21 | C22 | C23 | H21 | 180.0° | 60.0° |
| C21 | C22 | C23 | H22 | 60.0° | 59.9° |
| C21 | C22 | C23 | H23 | 60.0° | 180.0° |
| C22 | C21 | H33 | H34 | 116.8° | 120.0° |
| C26 | C25 | C24 | O4 | 67.2° | 31.5° |
| C26 | C25 | C24 | N2 | 113.4° | 148.5° |
| C25 | C26 | C27 | F3 | 75.0° | 60.0° |
| C25 | C26 | C27 | F5 | 164.2° | 180.0° |
| C25 | C26 | C27 | F4 | 44.8° | 60.0° |
| C26 | C25 | C30 | H25 | 179.2° | 180.0° |
| C25 | C26 | C28 | H28 | 179.9° | 179.5° |
| C24 | C25 | C26 | C27 | 2.7° | 0.0° |
| C25 | C24 | O4 | N2 | 179.3° | 180.0° |
| C25 | C24 | N2 | C31 | 18.7° | 3.9° |
| C25 | C24 | N2 | C20 | 173.5° | 176.1° |
| C24 | C25 | C30 | H25 | 4.3° | 0.3° |
| C26 | C27 | F3 | F5 | 125.1° | 120.0° |
| C26 | C27 | F3 | F4 | 123.1° | 120.0° |
| C26 | C27 | F5 | F4 | 122.9° | 120.0° |
| C27 | C26 | C28 | H28 | 1.8° | 0.5° |
| O4 | C24 | N2 | C31 | 162.0° | 176.1° |
| O4 | C24 | N2 | C20 | 5.8° | 4.0° |
| C24 | N2 | C20 | C21 | 112.8° | 6.5° |
| C24 | N2 | C31 | C20 | 167.6° | 180.0° |
| C24 | N2 | C31 | C32 | 124.2° | 126.3° |
| C24 | N2 | C20 | C1 | 119.2° | 126.4° |
| C24 | N2 | C20 | H18 | 2.6° | 113.8° |
| C24 | N2 | C31 | H29 | 3.5° | 6.6° |
| C24 | N2 | C31 | H30 | 115.3° | 113.8° |
| C21 | C20 | N2 | C31 | 78.9° | 173.5° |
| C21 | C20 | N2 | C1 | 128.0° | 119.8° |
| C21 | C20 | N2 | H18 | 115.4° | 120.4° |
| C21 | C20 | C1 | H18 | 118.8° | 120.3° |
| C21 | C20 | C1 | C | 69.0° | 174.6° |
| C21 | C20 | C1 | O3 | 173.7° | 65.5° |
| C21 | C20 | C1 | C2 | 54.2° | 54.6° |
| C20 | C21 | C22 | H19 | 70.5° | 65.3° |
| C20 | C21 | C22 | H20 | 170.3° | 54.7° |
| C20 | C21 | H33 | H34 | 116.8° | 120.0° |
| N2 | C31 | C32 | H29 | 120.6° | 119.8° |
| N2 | C31 | C32 | H30 | 120.6° | 119.9° |
| C31 | N2 | C20 | C1 | 49.1° | 53.7° |
| N2 | C31 | C32 | C | 44.4° | 54.7° |
| C31 | N2 | C20 | H18 | 165.7° | 66.2° |
| N2 | C31 | C32 | H26 | 75.9° | 174.6° |
| N2 | C31 | C32 | H27 | 164.6° | 65.3° |
| N2 | C31 | H29 | H30 | 118.2° | 120.4° |
| C20 | N2 | C31 | C32 | 43.4° | 53.7° |
| N2 | C20 | C1 | H18 | 117.3° | 119.8° |
| N2 | C20 | C1 | C | 54.9° | 54.7° |
| N2 | C20 | C1 | O3 | 62.3° | 174.6° |
| N2 | C20 | C1 | C2 | 178.1° | 65.3° |
| C20 | N2 | C31 | H29 | 164.1° | 173.4° |
| C20 | N2 | C31 | H30 | 77.1° | 66.2° |
| N2 | C20 | C21 | H33 | 55.3° | 61.2° |
| N2 | C20 | C21 | H34 | 173.2° | 58.8° |
| F3 | C27 | F5 | F4 | 112.1° | 120.0° |
| C31 | C32 | C | H26 | 120.2° | 119.9° |
| C31 | C32 | C | H27 | 120.2° | 120.1° |
| C31 | C32 | C | C1 | 55.9° | 61.4° |
| C31 | C32 | H26 | H27 | 119.3° | 120.2° |
| C32 | C31 | H29 | H30 | 118.1° | 120.3° |
| C31 | C32 | C | H31 | 176.4° | 178.6° |
| C31 | C32 | C | H32 | 64.6° | 58.6° |
| C20 | C1 | C | C32 | 60.8° | 61.4° |
| C20 | C1 | C | O3 | 112.5° | 120.0° |
| C20 | C1 | C | C2 | 120.9° | 120.0° |
| C20 | C1 | O3 | C2 | 117.9° | 120.1° |
| C20 | C1 | O3 | C15 | 168.5° | 58.7° |
| C20 | C1 | C2 | N | 68.2° | 163.1° |
| C20 | C1 | C2 | O | 112.4° | 16.9° |
| C20 | C1 | C | H31 | 178.7° | 178.6° |
| C20 | C1 | C | H32 | 59.7° | 58.7° |
| C1 | C20 | C21 | H33 | 69.9° | 58.2° |
| C1 | C20 | C21 | H34 | 48.1° | 178.1° |
| C32 | C | C1 | H31 | 120.5° | 120.0° |
| C32 | C | C1 | H32 | 120.5° | 120.1° |
| C32 | C | C1 | O3 | 51.6° | 178.7° |
| C32 | C | C1 | C2 | 178.3° | 58.6° |
| C | C32 | H26 | H27 | 119.3° | 120.0° |
| C | C32 | C31 | H29 | 165.0° | 174.5° |
| C | C32 | C31 | H30 | 76.2° | 65.2° |
| C32 | C | H31 | H32 | 118.5° | 120.0° |
| C | C1 | O3 | C2 | 127.4° | 120.1° |
| C | C1 | O3 | C15 | 76.8° | 61.2° |
| C | C1 | C2 | N | 172.2° | 77.0° |
| C | C1 | C2 | O | 7.2° | 102.9° |
| C | C1 | C20 | H18 | 172.2° | 65.2° |
| C1 | C | C32 | H26 | 64.3° | 178.7° |
| C1 | C | C32 | H27 | 176.1° | 58.7° |
| C1 | C | H31 | H32 | 118.5° | 119.9° |
| O3 | C1 | C2 | N | 46.2° | 43.1° |
| O3 | C1 | C2 | O | 133.2° | 137.0° |
| C1 | O3 | C15 | C19 | 174.3° | 175.8° |
| C1 | O3 | C15 | C16 | 6.3° | 4.0° |
| O3 | C1 | C20 | H18 | 55.0° | 54.8° |
| O3 | C1 | C | H31 | 68.9° | 58.6° |
| O3 | C1 | C | H32 | 172.1° | 61.3° |
| C1 | C2 | N | C14 | 1.9° | 174.7° |
| C2 | C1 | O3 | C15 | 50.6° | 178.7° |
| C1 | C2 | N | O | 179.4° | 180.0° |
| C1 | C2 | N | C3 | 176.0° | 5.3° |
| C2 | C1 | C20 | H18 | 64.6° | 174.9° |
| C2 | C1 | C | H31 | 57.8° | 61.4° |
| C2 | C1 | C | H32 | 61.2° | 178.7° |
| N | C14 | C13 | H14 | 119.8° | 119.8° |
| N | C14 | C13 | H15 | 119.8° | 119.7° |
| C14 | N | C2 | C3 | 177.9° | 179.9° |
| C14 | N | C2 | O | 178.7° | 5.3° |
| C14 | N | C3 | C4 | 59.3° | 51.2° |
| N | C14 | C13 | N1 | 57.6° | 53.8° |
| C14 | N | C3 | H1 | 178.9° | 68.5° |
| C14 | N | C3 | H2 | 60.3° | 171.0° |
| N | C14 | C13 | H12 | 177.6° | 173.8° |
| N | C14 | C13 | H13 | 62.4° | 66.1° |
| N | C14 | H14 | H15 | 120.5° | 120.5° |
| C13 | C14 | N | C2 | 115.6° | 128.9° |
| C13 | C14 | N | C3 | 62.3° | 51.2° |
| C14 | C13 | N1 | H12 | 120.0° | 120.0° |
| C14 | C13 | N1 | H13 | 120.0° | 120.0° |
| C14 | C13 | N1 | C4 | 55.6° | 63.1° |
| C14 | C13 | N1 | C5 | 174.9° | 172.8° |
| C14 | C13 | H12 | H13 | 120.1° | 120.1° |
| C13 | C14 | H14 | H15 | 120.5° | 120.4° |
| O3 | C15 | C19 | C16 | 179.5° | 179.8° |
| O3 | C15 | C19 | C17 | 179.3° | 179.7° |
| O3 | C15 | C16 | S | 179.0° | 179.8° |
| O3 | C15 | C16 | H16 | 1.0° | 0.3° |
| O3 | C15 | C19 | H17 | 0.7° | 0.2° |
| C2 | N | C3 | C4 | 119.0° | 128.8° |
| C2 | N | C3 | H1 | 0.6° | 111.4° |
| C2 | N | C3 | H2 | 121.5° | 9.1° |
| C2 | N | C14 | H14 | 124.5° | 9.1° |
| C2 | N | C14 | H15 | 4.2° | 111.4° |
| O | C2 | N | C3 | 3.4° | 174.6° |
| N | C3 | C4 | H1 | 119.6° | 119.8° |
| N | C3 | C4 | H2 | 119.6° | 119.9° |
| N | C3 | C4 | N1 | 53.7° | 53.8° |
| N | C3 | H1 | H2 | 121.3° | 120.6° |
| N | C3 | C4 | H3 | 66.8° | 66.1° |
| N | C3 | C4 | H4 | 174.1° | 173.8° |
| C3 | N | C14 | H14 | 57.5° | 171.0° |
| C3 | N | C14 | H15 | 177.8° | 68.5° |
| C3 | C4 | N1 | C13 | 55.1° | 63.1° |
| C3 | C4 | N1 | H3 | 120.4° | 119.9° |
| C3 | C4 | N1 | H4 | 120.4° | 120.0° |
| C3 | C4 | N1 | C5 | 175.6° | 172.7° |
| C4 | C3 | H1 | H2 | 121.2° | 120.3° |
| C3 | C4 | H3 | H4 | 118.7° | 120.1° |
| C13 | N1 | C4 | C5 | 129.3° | 124.2° |
| C13 | N1 | C5 | C6 | 17.9° | 60.0° |
| C13 | N1 | C5 | C10 | 163.4° | 120.5° |
| C13 | N1 | C4 | H3 | 65.4° | 56.9° |
| C13 | N1 | C4 | H4 | 175.5° | 177.0° |
| N1 | C13 | H12 | H13 | 120.1° | 120.0° |
| N1 | C13 | C14 | H14 | 62.3° | 173.6° |
| N1 | C13 | C14 | H15 | 177.4° | 65.9° |
| C15 | C19 | C17 | H17 | 180.0° | 179.9° |
| C19 | C15 | C16 | S | 0.5° | 0.0° |
| C15 | C19 | C17 | C18 | 179.6° | 180.0° |
| C15 | C19 | C17 | S | 0.2° | 0.0° |
| C19 | C15 | C16 | H16 | 179.5° | 180.0° |
| C16 | C15 | C19 | C17 | 0.2° | 0.0° |
| C15 | C16 | S | H16 | 180.0° | 180.0° |
| C15 | C16 | S | C17 | 0.5° | 0.0° |
| C16 | C15 | C19 | H17 | 179.8° | 180.0° |
| C19 | C17 | S | C16 | 0.4° | 0.0° |
| C19 | C17 | C18 | S | 179.4° | 180.0° |
| C19 | C17 | C18 | F | 28.1° | 150.0° |
| C19 | C17 | C18 | F1 | 92.4° | 89.9° |
| C19 | C17 | C18 | F2 | 147.5° | 30.0° |
| C4 | N1 | C5 | C6 | 111.2° | 64.3° |
| C4 | N1 | C5 | C10 | 67.6° | 115.2° |
| N1 | C4 | C3 | H1 | 173.3° | 65.9° |
| N1 | C4 | C3 | H2 | 65.9° | 173.7° |
| N1 | C4 | H3 | H4 | 118.7° | 120.1° |
| C4 | N1 | C13 | H12 | 175.5° | 176.9° |
| C4 | N1 | C13 | H13 | 64.4° | 56.9° |
| N1 | C5 | C6 | C10 | 178.8° | 179.5° |
| N1 | C5 | C10 | O1 | 5.3° | 0.5° |
| N1 | C5 | C6 | C7 | 178.0° | 180.0° |
| N1 | C5 | C10 | C9 | 177.1° | 179.8° |
| C5 | N1 | C4 | H3 | 64.0° | 67.3° |
| C5 | N1 | C4 | H4 | 55.2° | 52.8° |
| C5 | N1 | C13 | H12 | 54.9° | 52.7° |
| C5 | N1 | C13 | H13 | 65.1° | 67.3° |
| N1 | C5 | C6 | H36 | 2.0° | 0.5° |
| C16 | S | C17 | C18 | 179.8° | 180.0° |
| C6 | C5 | C10 | O1 | 175.9° | 180.0° |
| C5 | C6 | C7 | H36 | 180.0° | 179.4° |
| C6 | C5 | C10 | C9 | 1.7° | 0.2° |
| C5 | C6 | C7 | C8 | 0.3° | 0.6° |
| C5 | C6 | C7 | H5 | 179.7° | 179.7° |
| C5 | C10 | O1 | C9 | 177.6° | 179.8° |
| C5 | C10 | O1 | C11 | 175.1° | 180.0° |
| C10 | C5 | C6 | C7 | 0.8° | 0.5° |
| C5 | C10 | C9 | C8 | 1.6° | 0.0° |
| C5 | C10 | C9 | H7 | 178.5° | 180.0° |
| C10 | C5 | C6 | H36 | 179.3° | 180.0° |
| C17 | C18 | F | F1 | 125.6° | 120.1° |
| C17 | C18 | F | F2 | 123.2° | 120.0° |
| C17 | C18 | F1 | F2 | 123.1° | 120.0° |
| C18 | C17 | C19 | H17 | 0.3° | 0.1° |
| S | C17 | C18 | F | 151.3° | 30.0° |
| S | C17 | C18 | F1 | 88.1° | 90.0° |
| S | C17 | C18 | F2 | 31.9° | 150.0° |
| C17 | S | C16 | H16 | 179.5° | 180.0° |
| S | C17 | C19 | H17 | 179.8° | 180.0° |
| C10 | O1 | C11 | C12 | 147.5° | 180.0° |
| O1 | C10 | C9 | C8 | 176.0° | 179.8° |
| O1 | C10 | C9 | H7 | 4.0° | 0.3° |
| C10 | O1 | C11 | H8 | 93.5° | 60.0° |
| C10 | O1 | C11 | H9 | 28.5° | 59.9° |
| O1 | C11 | C12 | H8 | 119.0° | 120.0° |
| O1 | C11 | C12 | H9 | 119.0° | 120.1° |
| O1 | C11 | C12 | O2 | 59.6° | 65.0° |
| C11 | O1 | C10 | C9 | 2.5° | 0.2° |
| O1 | C11 | H8 | H9 | 122.9° | 119.9° |
| O1 | C11 | C12 | H10 | 60.4° | 175.0° |
| O1 | C11 | C12 | H11 | 179.6° | 55.0° |
| F | C18 | F1 | F2 | 110.1° | 120.0° |
| C11 | C12 | O2 | H10 | 120.0° | 120.0° |
| C11 | C12 | O2 | H11 | 120.0° | 120.0° |
| C12 | C11 | H8 | H9 | 122.9° | 120.0° |
| C11 | C12 | H10 | H11 | 120.1° | 120.1° |
| C11 | C12 | O2 | H35 | 180.0° | 180.0° |
| O2 | C12 | C11 | H8 | 178.7° | 175.0° |
| O2 | C12 | C11 | H9 | 59.3° | 55.1° |
| O2 | C12 | H10 | H11 | 120.1° | 119.9° |
| C6 | C7 | C8 | H5 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C6 | C7 | C8 | H6 | 179.6° | 179.8° |
| C10 | C9 | C8 | C7 | 0.5° | 0.0° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | H6 | 179.5° | 179.9° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | H7 | 179.6° | 180.0° |
| C8 | C7 | C6 | H36 | 179.7° | 180.0° |
| C9 | C8 | C7 | H5 | 179.5° | 180.0° |
| H1 | C3 | C4 | H3 | 52.8° | 174.1° |
| H1 | C3 | C4 | H4 | 66.3° | 54.1° |
| H2 | C3 | C4 | H3 | 173.7° | 53.8° |
| H2 | C3 | C4 | H4 | 54.5° | 66.3° |
| H5 | C7 | C8 | H6 | 0.4° | 0.1° |
| H5 | C7 | C6 | H36 | 0.3° | 0.3° |
| H6 | C8 | C9 | H7 | 0.5° | 0.1° |
| H8 | C11 | C12 | H10 | 58.7° | 55.0° |
| H8 | C11 | C12 | H11 | 61.3° | 65.0° |
| H9 | C11 | C12 | H10 | 179.3° | 65.0° |
| H9 | C11 | C12 | H11 | 60.7° | 175.0° |
| H10 | C12 | O2 | H35 | 60.0° | 59.9° |
| H11 | C12 | O2 | H35 | 60.0° | 60.0° |
| H12 | C13 | C14 | H14 | 57.7° | 66.4° |
| H12 | C13 | C14 | H15 | 62.6° | 54.1° |
| H13 | C13 | C14 | H14 | 177.7° | 53.7° |
| H13 | C13 | C14 | H15 | 57.4° | 174.1° |
| H18 | C20 | C21 | H33 | 171.4° | 178.4° |
| H18 | C20 | C21 | H34 | 70.7° | 61.6° |
| H19 | C22 | C23 | H21 | 59.7° | 60.0° |
| H19 | C22 | C23 | H22 | 60.4° | 180.0° |
| H19 | C22 | C23 | H23 | 179.7° | 60.0° |
| H19 | C22 | C21 | H33 | 50.6° | 54.7° |
| H19 | C22 | C21 | H34 | 168.5° | 174.7° |
| H20 | C22 | C23 | H21 | 59.6° | NaN° |
| H20 | C22 | C23 | H22 | 179.6° | 60.0° |
| H20 | C22 | C23 | H23 | 60.4° | 60.0° |
| H20 | C22 | C21 | H33 | 68.7° | 174.7° |
| H20 | C22 | C21 | H34 | 49.3° | 65.3° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H24 | C29 | C28 | H28 | 0.5° | 0.6° |
| H26 | C32 | C31 | H29 | 44.8° | 65.7° |
| H26 | C32 | C31 | H30 | 163.5° | 54.7° |
| H26 | C32 | C | H31 | 56.2° | 58.6° |
| H26 | C32 | C | H32 | 175.2° | 61.3° |
| H27 | C32 | C31 | H29 | 74.8° | 54.5° |
| H27 | C32 | C31 | H30 | 44.0° | 174.8° |
| H27 | C32 | C | H31 | 63.4° | 61.4° |
| H27 | C32 | C | H32 | 55.6° | 178.7° |
