690
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| O4 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | C5 | sing | 1.47Å | 1.49Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| O17 | B16 | sing | 1.42Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C5 | C30 | sing | 1.48Å | 1.49Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.50Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C31 | C28 | sing | 1.51Å | 1.50Å | |
| C34 | C6 | sing | 1.47Å | 1.48Å | |
| C34 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| B16 | O15 | sing | 1.42Å | 1.44Å | |
| B16 | C18 | sing | 1.57Å | 1.48Å | |
| C37 | F38 | sing | 1.35Å | 1.34Å | |
| C37 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O7 | sing | 1.34Å | 1.37Å | Aromatic |
| C28 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| O15 | C14 | sing | 1.43Å | 1.44Å | |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | O7 | sing | 1.35Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.43Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C23 | sing | 1.50Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N11 | sing | 1.47Å | 1.50Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | S24 | sing | 1.66Å | 1.63Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| O26 | S24 | doub | 1.42Å | 1.44Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| S24 | C25 | sing | 1.81Å | 1.65Å | |
| S24 | O27 | doub | 1.42Å | 1.44Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C36 | H16 | sing | 1.08Å | 1.08Å | |
| C40 | H17 | sing | 1.08Å | 1.08Å | |
| C39 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 122.7° | 120.0° |
| C1 | N2 | H11 | 118.7° | 120.0° |
| N2 | C1 | H12 | 109.5° | 109.5° |
| N2 | C1 | H13 | 109.4° | 109.5° |
| N2 | C1 | H14 | 109.5° | 109.5° |
| N2 | C3 | O4 | 122.5° | 120.0° |
| N2 | C3 | C5 | 117.4° | 120.0° |
| C3 | N2 | H11 | 118.7° | 120.0° |
| O4 | C3 | C5 | 120.1° | 120.0° |
| C3 | C5 | C30 | 120.9° | 127.2° |
| C3 | C5 | C6 | 131.2° | 127.3° |
| C32 | C33 | C31 | 60.2° | 59.9° |
| C33 | C32 | C31 | 59.9° | 60.0° |
| C33 | C32 | H6 | 120.0° | 117.5° |
| C33 | C32 | H7 | 120.0° | 117.5° |
| C32 | C33 | H8 | 120.0° | 117.4° |
| C32 | C33 | H9 | 120.0° | 117.5° |
| C33 | C31 | C32 | 59.9° | 60.1° |
| C33 | C31 | C28 | 116.0° | 117.5° |
| C33 | C31 | H5 | 116.0° | 117.5° |
| C31 | C33 | H8 | 120.0° | 117.5° |
| C31 | C33 | H9 | 120.0° | 117.6° |
| O17 | B16 | O15 | 118.6° | 126.5° |
| O17 | B16 | C18 | 118.4° | 126.5° |
| B16 | O17 | H24 | 109.5° | 114.0° |
| C32 | C31 | C28 | 120.2° | 117.5° |
| C32 | C31 | H5 | 116.0° | 117.5° |
| C31 | C32 | H6 | 120.0° | 117.5° |
| C31 | C32 | H7 | 120.0° | 117.5° |
| C30 | C5 | C6 | 107.9° | 105.5° |
| C5 | C30 | C29 | 136.3° | 133.9° |
| C5 | C30 | C8 | 102.0° | 105.7° |
| C5 | C6 | C34 | 132.2° | 125.3° |
| C5 | C6 | O7 | 103.2° | 109.3° |
| C36 | C35 | C34 | 119.6° | 119.8° |
| C35 | C36 | C37 | 120.0° | 120.1° |
| C36 | C35 | H15 | 120.2° | 120.1° |
| C35 | C36 | H16 | 120.0° | 120.0° |
| C35 | C34 | C6 | 121.1° | 120.1° |
| C35 | C34 | C40 | 120.3° | 119.7° |
| C34 | C35 | H15 | 120.2° | 120.1° |
| C36 | C37 | F38 | 120.1° | 119.8° |
| C36 | C37 | C39 | 120.1° | 120.3° |
| C37 | C36 | H16 | 120.0° | 119.9° |
| C30 | C29 | C28 | 118.9° | 119.7° |
| C29 | C30 | C8 | 121.8° | 120.4° |
| C30 | C29 | H10 | 120.5° | 120.1° |
| C29 | C28 | C31 | 119.5° | 119.9° |
| C29 | C28 | C10 | 119.1° | 120.1° |
| C28 | C29 | H10 | 120.6° | 120.1° |
| C30 | C8 | O7 | 114.9° | 108.1° |
| C30 | C8 | C9 | 120.5° | 119.2° |
| C31 | C28 | C10 | 121.4° | 120.0° |
| C28 | C31 | H5 | 116.6° | 115.5° |
| C6 | C34 | C40 | 118.5° | 120.1° |
| C34 | C6 | O7 | 124.5° | 125.4° |
| C34 | C40 | C39 | 120.0° | 119.9° |
| C34 | C40 | H17 | 120.0° | 120.1° |
| O15 | B16 | C18 | 104.2° | 107.0° |
| B16 | O15 | C14 | 111.9° | 108.8° |
| B16 | C18 | C19 | 129.0° | 133.0° |
| B16 | C18 | C23 | 109.0° | 106.9° |
| F38 | C37 | C39 | 119.7° | 119.9° |
| C37 | C39 | C40 | 119.9° | 120.1° |
| C37 | C39 | H18 | 120.0° | 120.0° |
| C6 | O7 | C8 | 112.1° | 111.5° |
| C28 | C10 | C9 | 119.7° | 120.5° |
| C28 | C10 | N11 | 127.6° | 119.7° |
| O15 | C14 | C23 | 102.9° | 109.3° |
| O15 | C14 | C13 | 114.4° | 109.5° |
| O15 | C14 | H23 | 109.0° | 109.4° |
| C39 | C40 | H17 | 120.0° | 120.1° |
| C40 | C39 | H18 | 120.0° | 119.9° |
| O7 | C8 | C9 | 124.7° | 132.7° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H4 | 120.0° | 120.0° |
| C19 | C18 | C23 | 122.0° | 120.1° |
| C18 | C19 | C20 | 118.1° | 119.7° |
| C18 | C19 | H25 | 121.0° | 120.1° |
| C18 | C23 | C14 | 111.2° | 107.9° |
| C18 | C23 | C22 | 120.5° | 119.6° |
| C9 | C10 | N11 | 112.7° | 119.7° |
| C10 | C9 | H4 | 120.0° | 120.0° |
| C10 | N11 | C12 | 112.8° | 120.0° |
| C10 | N11 | S24 | 111.6° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C20 | C19 | H25 | 121.0° | 120.2° |
| C19 | C20 | H26 | 119.8° | 119.9° |
| C23 | C14 | C13 | 114.2° | 109.5° |
| C14 | C23 | C22 | 128.3° | 132.4° |
| C23 | C14 | H23 | 108.4° | 109.6° |
| C14 | C13 | C12 | 114.6° | 109.5° |
| C14 | C13 | H21 | 108.2° | 109.5° |
| C14 | C13 | H22 | 108.2° | 109.4° |
| C13 | C14 | H23 | 107.8° | 109.5° |
| C13 | C12 | N11 | 110.6° | 109.5° |
| C13 | C12 | H19 | 109.2° | 109.5° |
| C13 | C12 | H20 | 109.2° | 109.4° |
| C12 | C13 | H21 | 108.2° | 109.5° |
| C12 | C13 | H22 | 108.2° | 109.4° |
| C12 | N11 | S24 | 117.6° | 120.0° |
| N11 | C12 | H19 | 109.2° | 109.5° |
| N11 | C12 | H20 | 109.2° | 109.4° |
| C23 | C22 | C21 | 118.8° | 120.1° |
| C23 | C22 | H28 | 120.6° | 119.9° |
| N11 | S24 | O26 | 112.5° | 104.2° |
| N11 | S24 | C25 | 113.1° | 104.4° |
| N11 | S24 | O27 | 105.8° | 104.3° |
| C20 | C21 | C22 | 120.3° | 120.4° |
| C21 | C20 | H26 | 119.8° | 120.0° |
| C20 | C21 | H27 | 119.9° | 119.8° |
| O26 | S24 | C25 | 108.6° | 110.5° |
| O26 | S24 | O27 | 107.6° | 121.1° |
| C22 | C21 | H27 | 119.9° | 119.8° |
| C21 | C22 | H28 | 120.6° | 120.0° |
| C25 | S24 | O27 | 109.0° | 110.6° |
| S24 | C25 | H1 | 109.5° | 109.5° |
| S24 | C25 | H2 | 109.4° | 109.5° |
| S24 | C25 | H3 | 109.4° | 109.4° |
| H1 | C25 | H2 | 109.5° | 109.5° |
| H1 | C25 | H3 | 109.5° | 109.5° |
| H2 | C25 | H3 | 109.5° | 109.4° |
| H6 | C32 | H7 | 109.5° | 115.6° |
| H8 | C33 | H9 | 109.4° | 115.6° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | H11 | 180.0° | 179.9° |
| C1 | N2 | C3 | O4 | 1.1° | 0.0° |
| C1 | N2 | C3 | C5 | 179.5° | 180.0° |
| N2 | C1 | H12 | H13 | 120.0° | 120.0° |
| N2 | C1 | H12 | H14 | 120.0° | 120.0° |
| N2 | C1 | H13 | H14 | 120.0° | 120.0° |
| N2 | C3 | O4 | C5 | 178.4° | 180.0° |
| N2 | C3 | C5 | C30 | 125.7° | 90.0° |
| N2 | C3 | C5 | C6 | 51.6° | 89.3° |
| C3 | N2 | C1 | H12 | 180.0° | 60.0° |
| C3 | N2 | C1 | H13 | 60.0° | 180.0° |
| C3 | N2 | C1 | H14 | 60.0° | 60.0° |
| O4 | C3 | C5 | C30 | 52.8° | 90.0° |
| O4 | C3 | C5 | C6 | 129.9° | 90.7° |
| O4 | C3 | N2 | H11 | 178.9° | 180.0° |
| C3 | C5 | C30 | C6 | 177.8° | 179.3° |
| C3 | C5 | C30 | C29 | 2.0° | 0.1° |
| C3 | C5 | C30 | C8 | 179.0° | 179.3° |
| C3 | C5 | C6 | C34 | 4.5° | 0.6° |
| C3 | C5 | C6 | O7 | 179.0° | 179.3° |
| C5 | C3 | N2 | H11 | 0.5° | 0.0° |
| C32 | C33 | C31 | H8 | 109.5° | 107.4° |
| C32 | C33 | C31 | H9 | 109.6° | 107.5° |
| C33 | C32 | C31 | H6 | 109.5° | 107.4° |
| C33 | C32 | C31 | H7 | 109.4° | 107.5° |
| C32 | C33 | C31 | C28 | 111.4° | 107.5° |
| C32 | C33 | C31 | H5 | 106.2° | 107.5° |
| C33 | C32 | H6 | H7 | 144.8° | 145.7° |
| C32 | C33 | H8 | H9 | 144.6° | 145.7° |
| C33 | C31 | C28 | C29 | 50.6° | 8.7° |
| C33 | C31 | C28 | H5 | 142.2° | 145.6° |
| C33 | C31 | C28 | C10 | 129.3° | 171.2° |
| C31 | C33 | H8 | H9 | 144.6° | 145.8° |
| O17 | B16 | O15 | C18 | 134.2° | 180.0° |
| O17 | B16 | O15 | C14 | 125.0° | 180.0° |
| O17 | B16 | C18 | C19 | 51.1° | 0.1° |
| O17 | B16 | C18 | C23 | 129.4° | 180.0° |
| C32 | C31 | C28 | C29 | 18.1° | 60.0° |
| C32 | C31 | C28 | H5 | 149.1° | 145.7° |
| C32 | C31 | C28 | C10 | 161.9° | 120.1° |
| C31 | C32 | H6 | H7 | 144.8° | 145.7° |
| C5 | C30 | C29 | C8 | 178.9° | 179.3° |
| C5 | C30 | C29 | C28 | 179.1° | 180.0° |
| C30 | C5 | C6 | C34 | 178.0° | 179.9° |
| C30 | C5 | C6 | O7 | 1.5° | 0.1° |
| C5 | C30 | C8 | O7 | 0.4° | 0.0° |
| C5 | C30 | C8 | C9 | 179.6° | 179.9° |
| C5 | C30 | C29 | H10 | 0.9° | 0.7° |
| C5 | C6 | C34 | C35 | 21.7° | 0.3° |
| C6 | C5 | C30 | C29 | 179.8° | 179.4° |
| C6 | C5 | C30 | C8 | 1.2° | 0.1° |
| C5 | C6 | C34 | O7 | 175.9° | 179.9° |
| C5 | C6 | C34 | C40 | 162.2° | 180.0° |
| C5 | C6 | O7 | C8 | 1.3° | 0.1° |
| C36 | C35 | C34 | H15 | 180.0° | 180.0° |
| C35 | C36 | C37 | H16 | 180.0° | 179.9° |
| C36 | C35 | C34 | C6 | 178.3° | 179.9° |
| C36 | C35 | C34 | C40 | 2.2° | 0.3° |
| C35 | C36 | C37 | F38 | 179.6° | 179.9° |
| C35 | C36 | C37 | C39 | 0.1° | 0.3° |
| C34 | C35 | C36 | C37 | 1.2° | 0.0° |
| C35 | C34 | C6 | C40 | 176.1° | 179.7° |
| C35 | C34 | C6 | O7 | 154.1° | 179.8° |
| C35 | C34 | C40 | C39 | 2.0° | 0.3° |
| C34 | C35 | C36 | H16 | 178.8° | 180.0° |
| C35 | C34 | C40 | H17 | 178.0° | 179.7° |
| C36 | C37 | F38 | C39 | 179.6° | 179.8° |
| C36 | C37 | C39 | C40 | 0.3° | 0.3° |
| C37 | C36 | C35 | H15 | 178.8° | 180.0° |
| C36 | C37 | C39 | H18 | 179.7° | 179.7° |
| C30 | C29 | C28 | H10 | 180.0° | 179.3° |
| C30 | C29 | C28 | C31 | 179.9° | 179.5° |
| C30 | C29 | C28 | C10 | 0.1° | 0.4° |
| C29 | C30 | C8 | O7 | 179.6° | 179.5° |
| C29 | C30 | C8 | C9 | 0.4° | 0.4° |
| C28 | C29 | C30 | C8 | 0.2° | 0.7° |
| C29 | C28 | C31 | C10 | 179.9° | 179.9° |
| C29 | C28 | C10 | C9 | 0.0° | 0.1° |
| C29 | C28 | C10 | N11 | 178.7° | 179.8° |
| C29 | C28 | C31 | H5 | 167.2° | 154.3° |
| C30 | C8 | O7 | C6 | 0.6° | 0.0° |
| C30 | C8 | O7 | C9 | 180.0° | 179.9° |
| C30 | C8 | C9 | C10 | 0.3° | 0.1° |
| C30 | C8 | C9 | H4 | 179.7° | 180.0° |
| C8 | C30 | C29 | H10 | 179.8° | 180.0° |
| C31 | C28 | C10 | C9 | 179.9° | 180.0° |
| C31 | C28 | C10 | N11 | 1.2° | 0.3° |
| C28 | C31 | C32 | H6 | 146.2° | 0.1° |
| C28 | C31 | C32 | H7 | 5.1° | 145.0° |
| C28 | C31 | C33 | H8 | 1.9° | 145.1° |
| C28 | C31 | C33 | H9 | 139.1° | 0.0° |
| C31 | C28 | C29 | H10 | 0.1° | 0.2° |
| C6 | C34 | C40 | C39 | 178.2° | 180.0° |
| C34 | C6 | O7 | C8 | 178.2° | 179.9° |
| C6 | C34 | C35 | H15 | 1.7° | 0.0° |
| C6 | C34 | C40 | H17 | 1.9° | 0.0° |
| C34 | C40 | C39 | C37 | 0.8° | 0.1° |
| C40 | C34 | C6 | O7 | 22.0° | 0.2° |
| C34 | C40 | C39 | H17 | 180.0° | 180.0° |
| C40 | C34 | C35 | H15 | 177.8° | 179.7° |
| C34 | C40 | C39 | H18 | 179.2° | 180.0° |
| O15 | B16 | C18 | C19 | 174.7° | 180.0° |
| O15 | B16 | C18 | C23 | 4.9° | 0.0° |
| B16 | O15 | C14 | C23 | 9.5° | 0.0° |
| B16 | O15 | C14 | C13 | 133.8° | 120.0° |
| B16 | O15 | C14 | H23 | 105.5° | 120.0° |
| O15 | B16 | O17 | H24 | 0.0° | 0.0° |
| C18 | B16 | O15 | C14 | 9.1° | 0.0° |
| B16 | C18 | C19 | C23 | 179.5° | 179.9° |
| B16 | C18 | C19 | C20 | 179.9° | 180.0° |
| B16 | C18 | C23 | C14 | 0.8° | 0.0° |
| B16 | C18 | C23 | C22 | 179.6° | 179.9° |
| C18 | B16 | O17 | H24 | 127.8° | 180.0° |
| B16 | C18 | C19 | H25 | 0.1° | 0.1° |
| F38 | C37 | C39 | C40 | 179.8° | 179.9° |
| F38 | C37 | C36 | H16 | 0.4° | 0.0° |
| F38 | C37 | C39 | H18 | 0.2° | 0.1° |
| C37 | C39 | C40 | H18 | 180.0° | 179.9° |
| C39 | C37 | C36 | H16 | 179.9° | 179.7° |
| C37 | C39 | C40 | H17 | 179.2° | 180.0° |
| C6 | O7 | C8 | C9 | 179.4° | 180.0° |
| C28 | C10 | C9 | C8 | 0.1° | 0.4° |
| C28 | C10 | C9 | N11 | 178.9° | 179.7° |
| C28 | C10 | N11 | C12 | 43.0° | 95.3° |
| C28 | C10 | N11 | S24 | 92.0° | 84.7° |
| C28 | C10 | C9 | H4 | 179.9° | 179.7° |
| C10 | C28 | C31 | H5 | 12.8° | 25.6° |
| C10 | C28 | C29 | H10 | 179.9° | 179.7° |
| O15 | C14 | C23 | C18 | 6.2° | 0.0° |
| O15 | C14 | C23 | C13 | 124.5° | 119.9° |
| O15 | C14 | C23 | H23 | 115.4° | 119.9° |
| O15 | C14 | C13 | H23 | 121.4° | 120.0° |
| O15 | C14 | C13 | C12 | 25.1° | 65.1° |
| O15 | C14 | C23 | C22 | 175.2° | 179.9° |
| O15 | C14 | C13 | H21 | 95.7° | 54.9° |
| O15 | C14 | C13 | H22 | 145.8° | 174.9° |
| O7 | C8 | C9 | C10 | 179.7° | 180.0° |
| O7 | C8 | C9 | H4 | 0.3° | 0.1° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | N11 | 179.0° | 180.0° |
| C18 | C19 | C20 | H25 | 180.0° | 180.0° |
| C19 | C18 | C23 | C14 | 179.6° | 179.9° |
| C19 | C18 | C23 | C22 | 0.8° | 0.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H26 | 179.8° | 180.0° |
| C23 | C18 | C19 | C20 | 0.6° | 0.0° |
| C18 | C23 | C14 | C22 | 178.7° | 179.9° |
| C18 | C23 | C14 | C13 | 130.7° | 120.0° |
| C18 | C23 | C22 | C21 | 0.6° | 0.0° |
| C18 | C23 | C14 | H23 | 109.2° | 119.9° |
| C23 | C18 | C19 | H25 | 179.4° | 180.0° |
| C18 | C23 | C22 | H28 | 179.4° | 180.0° |
| C9 | C10 | N11 | C12 | 135.8° | 85.0° |
| C9 | C10 | N11 | S24 | 89.3° | 95.0° |
| C10 | N11 | C12 | C13 | 120.4° | 85.0° |
| C10 | N11 | C12 | S24 | 132.1° | 180.0° |
| C10 | N11 | S24 | O26 | 2.7° | 154.0° |
| C10 | N11 | S24 | C25 | 126.2° | 90.0° |
| C10 | N11 | S24 | O27 | 114.5° | 26.1° |
| N11 | C10 | C9 | H4 | 1.0° | 0.1° |
| C10 | N11 | C12 | H19 | 119.4° | 35.0° |
| C10 | N11 | C12 | H20 | 0.2° | 155.0° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H27 | 179.9° | 180.0° |
| C23 | C14 | C13 | H23 | 120.5° | 120.2° |
| C23 | C14 | C13 | C12 | 93.0° | 175.0° |
| C14 | C23 | C22 | C21 | 179.2° | 179.9° |
| C23 | C14 | C13 | H21 | 146.2° | 64.9° |
| C23 | C14 | C13 | H22 | 27.7° | 55.0° |
| C14 | C23 | C22 | H28 | 0.8° | 0.1° |
| C14 | C13 | C12 | H21 | 120.8° | 120.1° |
| C14 | C13 | C12 | H22 | 120.8° | 120.0° |
| C14 | C13 | C12 | N11 | 166.8° | 180.0° |
| C13 | C14 | C23 | C22 | 50.7° | 60.1° |
| C14 | C13 | C12 | H19 | 73.0° | 59.9° |
| C14 | C13 | C12 | H20 | 46.6° | 60.0° |
| C14 | C13 | H21 | H22 | 117.7° | 119.9° |
| C13 | C12 | N11 | H19 | 120.2° | 120.1° |
| C13 | C12 | N11 | H20 | 120.2° | 120.0° |
| C13 | C12 | N11 | S24 | 107.5° | 94.9° |
| C13 | C12 | H19 | H20 | 119.5° | 120.0° |
| C12 | C13 | H21 | H22 | 117.7° | 120.0° |
| C12 | C13 | C14 | H23 | 146.5° | 54.8° |
| C12 | N11 | S24 | O26 | 129.9° | 26.1° |
| C12 | N11 | S24 | C25 | 6.4° | 90.0° |
| C12 | N11 | S24 | O27 | 112.9° | 153.9° |
| N11 | C12 | H19 | H20 | 119.5° | 120.0° |
| N11 | C12 | C13 | H21 | 46.0° | 59.9° |
| N11 | C12 | C13 | H22 | 72.5° | 60.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H28 | 180.0° | 180.0° |
| C22 | C23 | C14 | H23 | 69.5° | 60.0° |
| C23 | C22 | C21 | H27 | 179.7° | 180.0° |
| N11 | S24 | O26 | C25 | 126.0° | 111.7° |
| N11 | S24 | O26 | O27 | 116.2° | 116.7° |
| N11 | S24 | C25 | O27 | 117.4° | 111.6° |
| N11 | S24 | C25 | H1 | 180.0° | 51.7° |
| N11 | S24 | C25 | H2 | 60.0° | 68.4° |
| N11 | S24 | C25 | H3 | 60.0° | 171.7° |
| S24 | N11 | C12 | H19 | 12.7° | 145.0° |
| S24 | N11 | C12 | H20 | 132.3° | 25.0° |
| C20 | C21 | C22 | H27 | 180.0° | 179.9° |
| C21 | C20 | C19 | H25 | 179.8° | 180.0° |
| C20 | C21 | C22 | H28 | 179.7° | 180.0° |
| O26 | S24 | C25 | O27 | 116.9° | 136.8° |
| O26 | S24 | C25 | H1 | 54.4° | 163.2° |
| O26 | S24 | C25 | H2 | 174.4° | 43.2° |
| O26 | S24 | C25 | H3 | 65.6° | 76.8° |
| C22 | C21 | C20 | H26 | 179.9° | 180.0° |
| S24 | C25 | H1 | H2 | 120.0° | 120.0° |
| S24 | C25 | H1 | H3 | 120.0° | 120.0° |
| S24 | C25 | H2 | H3 | 120.0° | 119.9° |
| O27 | S24 | C25 | H1 | 62.5° | 60.0° |
| O27 | S24 | C25 | H2 | 57.5° | 180.0° |
| O27 | S24 | C25 | H3 | 177.4° | 60.1° |
| H1 | C25 | H2 | H3 | 120.0° | 120.0° |
| H5 | C31 | C32 | H6 | 3.1° | 145.0° |
| H5 | C31 | C32 | H7 | 144.2° | 0.0° |
| H5 | C31 | C33 | H8 | 144.2° | 0.1° |
| H5 | C31 | C33 | H9 | 3.3° | 145.0° |
| H6 | C32 | C33 | H8 | 141.0° | 145.0° |
| H6 | C32 | C33 | H9 | 0.1° | 0.0° |
| H7 | C32 | C33 | H8 | 0.1° | 0.0° |
| H7 | C32 | C33 | H9 | 141.0° | 145.0° |
| H11 | N2 | C1 | H12 | 0.0° | 120.0° |
| H11 | N2 | C1 | H13 | 120.0° | 0.0° |
| H11 | N2 | C1 | H14 | 120.0° | 120.1° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H15 | C35 | C36 | H16 | 1.2° | 0.0° |
| H17 | C40 | C39 | H18 | 0.8° | 0.0° |
| H19 | C12 | C13 | H21 | 166.2° | 180.0° |
| H19 | C12 | C13 | H22 | 47.7° | 60.0° |
| H20 | C12 | C13 | H21 | 74.2° | 60.0° |
| H20 | C12 | C13 | H22 | 167.4° | 180.0° |
| H21 | C13 | C14 | H23 | 25.7° | 174.9° |
| H22 | C13 | C14 | H23 | 92.8° | 65.1° |
| H25 | C19 | C20 | H26 | 0.2° | 0.0° |
| H26 | C20 | C21 | H27 | 0.1° | 0.0° |
| H27 | C21 | C22 | H28 | 0.3° | 0.1° |
