A1EJM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.21Å | 1.20Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | doub | 1.31Å | 1.32Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C18 | O1 | sing | 1.34Å | 1.34Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| O1 | N1 | sing | 1.22Å | 49.27Å | |
| N1 | C19 | sing | 1.34Å | 0.00Å | |
| N1 | C20 | sing | 1.34Å | 0.00Å | |
| C20 | O3 | doub | 1.21Å | 0.00Å | |
| C19 | C22 | sing | 1.51Å | 0.00Å | |
| C19 | O2 | doub | 1.21Å | 0.00Å | |
| C22 | C24 | sing | 1.54Å | 0.00Å | |
| C20 | C24 | sing | 1.51Å | 0.00Å | |
| C24 | S1 | sing | 1.81Å | 0.00Å | |
| S1 | O6 | doub | 1.42Å | 0.00Å | |
| S1 | O4 | doub | 1.42Å | 0.00Å | |
| S1 | O5 | sing | 1.52Å | 0.00Å | |
| C22 | H34 | sing | 1.09Å | 0.00Å | |
| C22 | H35 | sing | 1.09Å | 0.00Å | |
| C24 | H36 | sing | 1.09Å | 0.00Å | |
| O5 | H37 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | C17 | 121.0° | 120.0° |
| O19 | C18 | O1 | 119.4° | 120.0° |
| C18 | C17 | C16 | 113.1° | 109.5° |
| C17 | C18 | O1 | 119.6° | 120.0° |
| C18 | C17 | H16 | 108.6° | 109.5° |
| C18 | C17 | H17 | 108.6° | 109.5° |
| C17 | C16 | C15 | 111.6° | 109.5° |
| C16 | C17 | H16 | 108.5° | 109.5° |
| C16 | C17 | H17 | 108.6° | 109.5° |
| C17 | C16 | H27 | 108.9° | 109.5° |
| C17 | C16 | H28 | 109.0° | 109.5° |
| C16 | C15 | C14 | 115.8° | 109.5° |
| C16 | C15 | H14 | 107.9° | 109.4° |
| C16 | C15 | H15 | 107.9° | 109.5° |
| C15 | C16 | H27 | 108.9° | 109.5° |
| C15 | C16 | H28 | 108.9° | 109.4° |
| C15 | C14 | C13 | 114.0° | 109.4° |
| C14 | C15 | H14 | 107.9° | 109.5° |
| C14 | C15 | H15 | 107.9° | 109.5° |
| C15 | C14 | H25 | 108.3° | 109.5° |
| C15 | C14 | H26 | 108.3° | 109.5° |
| C14 | C13 | C12 | 115.0° | 109.5° |
| C14 | C13 | H12 | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | H25 | 108.3° | 109.5° |
| C13 | C14 | H26 | 108.3° | 109.5° |
| C13 | C12 | C11 | 115.3° | 109.5° |
| C12 | C13 | H12 | 108.1° | 109.4° |
| C12 | C13 | H13 | 108.1° | 109.5° |
| C13 | C12 | H23 | 108.0° | 109.5° |
| C13 | C12 | H24 | 108.0° | 109.4° |
| C12 | C11 | C10 | 112.3° | 109.4° |
| C12 | C11 | H21 | 108.8° | 109.5° |
| C12 | C11 | H22 | 108.8° | 109.5° |
| C11 | C12 | H23 | 108.0° | 109.5° |
| C11 | C12 | H24 | 108.0° | 109.5° |
| C11 | C10 | C9 | 127.7° | 119.9° |
| C11 | C10 | H11 | 116.2° | 120.0° |
| C10 | C11 | H21 | 108.7° | 109.4° |
| C10 | C11 | H22 | 108.8° | 109.5° |
| C10 | C9 | C8 | 127.8° | 120.0° |
| C9 | C10 | H11 | 116.2° | 120.0° |
| C10 | C9 | H33 | 116.1° | 120.0° |
| C9 | C8 | C7 | 108.6° | 109.4° |
| C9 | C8 | H9 | 109.7° | 109.4° |
| C9 | C8 | H10 | 109.7° | 109.5° |
| C8 | C9 | H33 | 116.1° | 120.0° |
| C8 | C7 | C6 | 114.4° | 109.5° |
| C8 | C7 | H7 | 108.2° | 109.5° |
| C8 | C7 | H8 | 108.2° | 109.5° |
| C7 | C8 | H9 | 109.7° | 109.5° |
| C7 | C8 | H10 | 109.7° | 109.5° |
| C7 | C6 | C5 | 114.1° | 109.5° |
| C7 | C6 | H5 | 108.3° | 109.4° |
| C7 | C6 | H6 | 108.3° | 109.5° |
| C6 | C7 | H7 | 108.2° | 109.5° |
| C6 | C7 | H8 | 108.2° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.4° |
| C6 | C5 | H3 | 109.3° | 109.5° |
| C6 | C5 | H4 | 109.3° | 109.5° |
| C5 | C6 | H5 | 108.3° | 109.5° |
| C5 | C6 | H6 | 108.3° | 109.5° |
| C5 | C4 | C3 | 115.0° | 109.4° |
| C5 | C4 | H1 | 108.1° | 109.4° |
| C5 | C4 | H2 | 108.1° | 109.5° |
| C4 | C5 | H3 | 109.3° | 109.4° |
| C4 | C5 | H4 | 109.3° | 109.5° |
| C4 | C3 | C2 | 114.7° | 109.5° |
| C3 | C4 | H1 | 108.1° | 109.5° |
| C3 | C4 | H2 | 108.1° | 109.5° |
| C4 | C3 | H31 | 108.2° | 109.5° |
| C4 | C3 | H32 | 108.2° | 109.5° |
| C3 | C2 | C1 | 112.9° | 109.5° |
| C3 | C2 | H29 | 108.6° | 109.5° |
| C3 | C2 | H30 | 108.6° | 109.5° |
| C2 | C3 | H31 | 108.2° | 109.5° |
| C2 | C3 | H32 | 108.2° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.4° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C1 | C2 | H29 | 108.6° | 109.5° |
| C1 | C2 | H30 | 108.6° | 109.5° |
| C18 | O1 | N1 | 113.4° | 117.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.4° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H20 | 109.4° | 109.5° |
| H19 | C1 | H20 | 109.4° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.4° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C2 | H30 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| O1 | N1 | C19 | 90.0° | 122.8° |
| O1 | N1 | C20 | 90.0° | 122.7° |
| C19 | N1 | C20 | 90.0° | 114.5° |
| N1 | C19 | C22 | 90.0° | 109.2° |
| N1 | C19 | O2 | 90.0° | 125.4° |
| N1 | C20 | O3 | 90.0° | 125.4° |
| N1 | C20 | C24 | 90.0° | 109.3° |
| O3 | C20 | C24 | 90.0° | 125.3° |
| C22 | C19 | O2 | 90.0° | 125.4° |
| C19 | C22 | C24 | 90.0° | 103.6° |
| C19 | C22 | H34 | 90.0° | 110.6° |
| C19 | C22 | H35 | 90.0° | 110.6° |
| C22 | C24 | C20 | 90.0° | 103.5° |
| C22 | C24 | S1 | 90.0° | 110.5° |
| C24 | C22 | H34 | 90.0° | 110.7° |
| C24 | C22 | H35 | 90.0° | 110.5° |
| C22 | C24 | H36 | 90.0° | 110.7° |
| C20 | C24 | S1 | 90.0° | 110.6° |
| C20 | C24 | H36 | 90.0° | 110.6° |
| C24 | S1 | O6 | 90.0° | 110.5° |
| C24 | S1 | O4 | 90.0° | 110.5° |
| C24 | S1 | O5 | 90.0° | 104.5° |
| S1 | C24 | H36 | 90.0° | 110.7° |
| O6 | S1 | O4 | 90.0° | 121.0° |
| O6 | S1 | O5 | 90.0° | 104.3° |
| O4 | S1 | O5 | 90.0° | 104.3° |
| S1 | O5 | H37 | 90.0° | 114.0° |
| H34 | C22 | H35 | 90.0° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | C17 | O1 | 178.2° | 179.9° |
| O19 | C18 | C17 | C16 | 127.4° | 0.0° |
| O19 | C18 | C17 | H16 | 112.1° | 120.1° |
| O19 | C18 | C17 | H17 | 6.8° | 120.0° |
| O19 | C18 | O1 | N1 | 140.4° | 0.1° |
| C18 | C17 | C16 | H16 | 120.5° | 120.0° |
| C18 | C17 | C16 | H17 | 120.6° | 120.0° |
| C18 | C17 | C16 | C15 | 166.6° | 180.0° |
| C18 | C17 | H16 | H17 | 118.3° | 120.0° |
| C18 | C17 | C16 | H27 | 46.3° | 60.0° |
| C18 | C17 | C16 | H28 | 73.1° | 60.1° |
| C17 | C18 | O1 | N1 | 37.8° | 179.9° |
| C17 | C16 | C15 | H27 | 120.3° | 120.0° |
| C17 | C16 | C15 | H28 | 120.3° | 120.0° |
| C17 | C16 | C15 | C14 | 165.2° | 180.0° |
| C16 | C17 | C18 | O1 | 54.4° | 179.9° |
| C17 | C16 | C15 | H14 | 44.2° | 59.9° |
| C17 | C16 | C15 | H15 | 73.9° | 60.0° |
| C16 | C17 | H16 | H17 | 118.4° | 120.0° |
| C17 | C16 | H27 | H28 | 119.1° | 120.0° |
| C16 | C15 | C14 | H14 | 120.9° | 120.0° |
| C16 | C15 | C14 | H15 | 120.9° | 120.0° |
| C16 | C15 | C14 | C13 | 61.9° | 180.0° |
| C16 | C15 | H14 | H15 | 117.1° | 119.9° |
| C15 | C16 | C17 | H16 | 72.9° | 60.0° |
| C15 | C16 | C17 | H17 | 46.0° | 60.0° |
| C16 | C15 | C14 | H25 | 177.4° | 60.0° |
| C16 | C15 | C14 | H26 | 58.7° | 60.0° |
| C15 | C16 | H27 | H28 | 119.0° | 120.0° |
| C15 | C14 | C13 | H25 | 120.7° | 120.0° |
| C15 | C14 | C13 | H26 | 120.7° | 120.0° |
| C15 | C14 | C13 | C12 | 150.3° | 180.0° |
| C15 | C14 | C13 | H12 | 88.9° | 60.0° |
| C15 | C14 | C13 | H13 | 29.5° | 60.0° |
| C14 | C15 | H14 | H15 | 117.1° | 120.1° |
| C15 | C14 | H25 | H26 | 117.9° | 120.0° |
| C14 | C15 | C16 | H27 | 74.5° | 60.0° |
| C14 | C15 | C16 | H28 | 44.8° | 60.0° |
| C14 | C13 | C12 | H12 | 120.8° | 120.0° |
| C14 | C13 | C12 | H13 | 120.8° | 120.1° |
| C14 | C13 | C12 | C11 | 49.0° | 180.0° |
| C14 | C13 | H12 | H13 | 117.5° | 120.1° |
| C13 | C14 | C15 | H14 | 59.0° | 60.0° |
| C13 | C14 | C15 | H15 | 177.1° | 60.0° |
| C14 | C13 | C12 | H23 | 169.8° | 59.9° |
| C14 | C13 | C12 | H24 | 71.9° | 60.0° |
| C13 | C14 | H25 | H26 | 117.9° | 120.1° |
| C13 | C12 | C11 | H23 | 120.9° | 120.0° |
| C13 | C12 | C11 | H24 | 120.8° | 119.9° |
| C13 | C12 | C11 | C10 | 147.3° | 180.0° |
| C12 | C13 | H12 | H13 | 117.5° | 120.0° |
| C13 | C12 | C11 | H21 | 92.3° | 60.1° |
| C13 | C12 | C11 | H22 | 26.8° | 60.0° |
| C13 | C12 | H23 | H24 | 117.4° | 120.0° |
| C12 | C13 | C14 | H25 | 29.6° | 60.1° |
| C12 | C13 | C14 | H26 | 89.0° | 60.0° |
| C12 | C11 | C10 | H21 | 120.4° | 119.9° |
| C12 | C11 | C10 | H22 | 120.4° | 120.0° |
| C12 | C11 | C10 | C9 | 111.8° | 126.3° |
| C12 | C11 | C10 | H11 | 68.1° | 53.7° |
| C11 | C12 | C13 | H12 | 71.9° | 60.0° |
| C11 | C12 | C13 | H13 | 169.8° | 59.9° |
| C12 | C11 | H21 | H22 | 118.7° | 120.1° |
| C11 | C12 | H23 | H24 | 117.3° | 120.0° |
| C11 | C10 | C9 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 7.6° |
| C10 | C11 | H21 | H22 | 118.7° | 120.0° |
| C10 | C11 | C12 | H23 | 26.4° | 60.0° |
| C10 | C11 | C12 | H24 | 91.9° | 60.1° |
| C11 | C10 | C9 | H33 | 179.6° | 172.5° |
| C10 | C9 | C8 | H33 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 120.7° | 127.6° |
| C10 | C9 | C8 | H9 | 119.4° | 7.6° |
| C10 | C9 | C8 | H10 | 0.8° | 112.4° |
| C9 | C10 | C11 | H21 | 8.5° | 113.7° |
| C9 | C10 | C11 | H22 | 127.7° | 6.3° |
| C9 | C8 | C7 | H9 | 119.9° | 120.0° |
| C9 | C8 | C7 | H10 | 119.9° | 120.0° |
| C9 | C8 | C7 | C6 | 156.4° | 180.0° |
| C9 | C8 | C7 | H7 | 82.9° | 60.0° |
| C9 | C8 | C7 | H8 | 35.7° | 60.0° |
| C9 | C8 | H9 | H10 | 120.4° | 120.0° |
| C8 | C9 | C10 | H11 | 179.6° | 172.4° |
| C8 | C7 | C6 | H7 | 120.7° | 120.0° |
| C8 | C7 | C6 | H8 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 97.3° | 180.0° |
| C8 | C7 | C6 | H5 | 142.0° | 60.0° |
| C8 | C7 | C6 | H6 | 23.4° | 60.0° |
| C8 | C7 | H7 | H8 | 117.8° | 120.0° |
| C7 | C8 | H9 | H10 | 120.4° | 120.0° |
| C7 | C8 | C9 | H33 | 59.4° | 52.3° |
| C7 | C6 | C5 | H5 | 120.7° | 120.0° |
| C7 | C6 | C5 | H6 | 120.7° | 120.0° |
| C7 | C6 | C5 | C4 | 122.4° | 180.0° |
| C7 | C6 | C5 | H3 | 117.5° | 60.1° |
| C7 | C6 | C5 | H4 | 2.4° | 60.0° |
| C7 | C6 | H5 | H6 | 117.9° | 120.0° |
| C6 | C7 | H7 | H8 | 117.7° | 120.0° |
| C6 | C7 | C8 | H9 | 36.5° | 60.1° |
| C6 | C7 | C8 | H10 | 83.7° | 60.0° |
| C6 | C5 | C4 | H3 | 120.1° | 120.0° |
| C6 | C5 | C4 | H4 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 126.0° | 180.0° |
| C6 | C5 | C4 | H1 | 113.2° | 60.0° |
| C6 | C5 | C4 | H2 | 5.2° | 60.0° |
| C6 | C5 | H3 | H4 | 119.7° | 120.0° |
| C5 | C6 | H5 | H6 | 117.9° | 120.0° |
| C5 | C6 | C7 | H7 | 23.4° | 60.0° |
| C5 | C6 | C7 | H8 | 141.9° | 60.0° |
| C5 | C4 | C3 | H1 | 120.8° | 120.0° |
| C5 | C4 | C3 | H2 | 120.8° | 120.0° |
| C5 | C4 | C3 | C2 | 83.3° | 180.0° |
| C5 | C4 | H1 | H2 | 117.5° | 120.0° |
| C4 | C5 | H3 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | H5 | 1.8° | 60.0° |
| C4 | C5 | C6 | H6 | 116.9° | 60.0° |
| C5 | C4 | C3 | H31 | 155.9° | 60.0° |
| C5 | C4 | C3 | H32 | 37.5° | 60.0° |
| C4 | C3 | C2 | H31 | 120.8° | 120.0° |
| C4 | C3 | C2 | H32 | 120.8° | 120.0° |
| C4 | C3 | C2 | C1 | 167.8° | 180.0° |
| C3 | C4 | H1 | H2 | 117.5° | 120.0° |
| C3 | C4 | C5 | H3 | 5.9° | 60.0° |
| C3 | C4 | C5 | H4 | 113.9° | 60.0° |
| C4 | C3 | C2 | H29 | 71.7° | 60.0° |
| C4 | C3 | C2 | H30 | 47.3° | 60.0° |
| C4 | C3 | H31 | H32 | 117.6° | 120.0° |
| C3 | C2 | C1 | H29 | 120.5° | 120.0° |
| C3 | C2 | C1 | H30 | 120.5° | 120.0° |
| C2 | C3 | C4 | H1 | 37.5° | 60.0° |
| C2 | C3 | C4 | H2 | 155.9° | 60.0° |
| C3 | C2 | C1 | H18 | 180.0° | 180.0° |
| C3 | C2 | C1 | H19 | 60.0° | 60.1° |
| C3 | C2 | C1 | H20 | 60.0° | 60.0° |
| C3 | C2 | H29 | H30 | 118.4° | 120.0° |
| C2 | C3 | H31 | H32 | 117.7° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 119.9° |
| C2 | C1 | H18 | H20 | 120.0° | 120.1° |
| C2 | C1 | H19 | H20 | 120.0° | 120.1° |
| C1 | C2 | H29 | H30 | 118.4° | 120.0° |
| C1 | C2 | C3 | H31 | 47.0° | 60.0° |
| C1 | C2 | C3 | H32 | 71.4° | 60.0° |
| O1 | C18 | C17 | H16 | 66.1° | 60.0° |
| O1 | C18 | C17 | H17 | 175.0° | 60.0° |
| C18 | O1 | N1 | C19 | 90.0° | 90.0° |
| C18 | O1 | N1 | C20 | 90.0° | 90.3° |
| H1 | C4 | C5 | H3 | 126.7° | 60.0° |
| H1 | C4 | C5 | H4 | 6.9° | 179.9° |
| H1 | C4 | C3 | H31 | 83.3° | 180.0° |
| H1 | C4 | C3 | H32 | 158.3° | 60.0° |
| H2 | C4 | C5 | H3 | 114.9° | 180.0° |
| H2 | C4 | C5 | H4 | 125.3° | 60.0° |
| H2 | C4 | C3 | H31 | 35.1° | 60.0° |
| H2 | C4 | C3 | H32 | 83.4° | 180.0° |
| H3 | C5 | C6 | H5 | 121.9° | 180.0° |
| H3 | C5 | C6 | H6 | 3.2° | 60.0° |
| H4 | C5 | C6 | H5 | 118.3° | 60.0° |
| H4 | C5 | C6 | H6 | 123.0° | 179.9° |
| H5 | C6 | C7 | H7 | 97.2° | 180.0° |
| H5 | C6 | C7 | H8 | 21.3° | 60.0° |
| H6 | C6 | C7 | H7 | 144.1° | 60.0° |
| H6 | C6 | C7 | H8 | 97.4° | 179.9° |
| H7 | C7 | C8 | H9 | 157.2° | 180.0° |
| H7 | C7 | C8 | H10 | 37.0° | 60.0° |
| H8 | C7 | C8 | H9 | 84.2° | 59.9° |
| H8 | C7 | C8 | H10 | 155.5° | 180.0° |
| H9 | C8 | C9 | H33 | 60.5° | 172.3° |
| H10 | C8 | C9 | H33 | 179.2° | 67.6° |
| H11 | C10 | C11 | H21 | 171.5° | 66.3° |
| H11 | C10 | C11 | H22 | 52.3° | 173.7° |
| H11 | C10 | C9 | H33 | 0.4° | 7.5° |
| H12 | C13 | C12 | H23 | 49.0° | 60.0° |
| H12 | C13 | C12 | H24 | 167.3° | NaN° |
| H12 | C13 | C14 | H25 | 150.4° | 180.0° |
| H12 | C13 | C14 | H26 | 31.8° | 60.0° |
| H13 | C13 | C12 | H23 | 69.4° | 180.0° |
| H13 | C13 | C12 | H24 | 48.9° | 60.0° |
| H13 | C13 | C14 | H25 | 91.2° | 59.9° |
| H13 | C13 | C14 | H26 | 150.2° | 180.0° |
| H14 | C15 | C14 | H25 | 61.7° | 180.0° |
| H14 | C15 | C14 | H26 | 179.7° | 60.0° |
| H14 | C15 | C16 | H27 | 164.6° | 179.9° |
| H14 | C15 | C16 | H28 | 76.1° | 60.1° |
| H15 | C15 | C14 | H25 | 56.4° | 60.0° |
| H15 | C15 | C14 | H26 | 62.2° | 180.0° |
| H15 | C15 | C16 | H27 | 46.4° | 60.1° |
| H15 | C15 | C16 | H28 | 165.8° | 179.9° |
| H16 | C17 | C16 | H27 | 166.8° | 180.0° |
| H16 | C17 | C16 | H28 | 47.4° | 60.0° |
| H17 | C17 | C16 | H27 | 74.3° | 60.0° |
| H17 | C17 | C16 | H28 | 166.3° | 180.0° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H18 | C1 | C2 | H29 | 59.5° | 59.9° |
| H18 | C1 | C2 | H30 | 59.5° | 60.1° |
| H19 | C1 | C2 | H29 | 179.5° | 60.0° |
| H19 | C1 | C2 | H30 | 60.5° | 179.9° |
| H20 | C1 | C2 | H29 | 60.5° | 180.0° |
| H20 | C1 | C2 | H30 | 179.5° | 60.0° |
| H21 | C11 | C12 | H23 | 146.8° | 60.0° |
| H21 | C11 | C12 | H24 | 28.5° | 180.0° |
| H22 | C11 | C12 | H23 | 94.0° | 180.0° |
| H22 | C11 | C12 | H24 | 147.7° | 60.0° |
| H29 | C2 | C3 | H31 | 167.5° | 60.0° |
| H29 | C2 | C3 | H32 | 49.1° | 180.0° |
| H30 | C2 | C3 | H31 | 73.5° | 180.0° |
| H30 | C2 | C3 | H32 | 168.1° | 60.0° |
| O1 | N1 | C19 | C20 | 90.0° | 179.7° |
| O1 | N1 | C20 | O3 | 90.0° | 0.0° |
| O1 | N1 | C19 | C22 | 90.0° | 180.0° |
| O1 | N1 | C19 | O2 | 90.0° | 0.0° |
| O1 | N1 | C20 | C24 | 90.0° | 180.0° |
| C19 | N1 | C20 | O3 | 90.0° | 179.8° |
| N1 | C19 | C22 | O2 | 90.0° | 180.0° |
| N1 | C19 | C22 | C24 | 90.0° | 0.1° |
| C19 | N1 | C20 | C24 | 90.0° | 0.2° |
| N1 | C19 | C22 | H34 | 90.0° | 118.5° |
| N1 | C19 | C22 | H35 | 90.0° | 118.5° |
| N1 | C20 | O3 | C24 | 90.0° | 180.0° |
| C20 | N1 | C19 | C22 | 90.0° | 0.2° |
| C20 | N1 | C19 | O2 | 90.0° | 179.8° |
| N1 | C20 | C24 | C22 | 90.0° | 0.1° |
| N1 | C20 | C24 | S1 | 90.0° | 118.5° |
| N1 | C20 | C24 | H36 | 90.0° | 118.5° |
| O3 | C20 | C24 | C22 | 90.0° | 179.9° |
| O3 | C20 | C24 | S1 | 90.0° | 61.5° |
| O3 | C20 | C24 | H36 | 90.0° | 61.5° |
| C19 | C22 | C24 | H34 | 90.0° | 118.5° |
| C19 | C22 | C24 | H35 | 90.0° | 118.5° |
| C19 | C22 | C24 | C20 | 90.0° | 0.0° |
| C19 | C22 | C24 | S1 | 90.0° | 118.5° |
| C19 | C22 | H34 | H35 | 90.0° | 122.9° |
| C19 | C22 | C24 | H36 | 90.0° | 118.5° |
| O2 | C19 | C22 | C24 | 90.0° | 179.9° |
| O2 | C19 | C22 | H34 | 90.0° | 61.5° |
| O2 | C19 | C22 | H35 | 90.0° | 61.5° |
| C22 | C24 | C20 | S1 | 90.0° | 118.4° |
| C22 | C24 | C20 | H36 | 90.0° | 118.6° |
| C22 | C24 | S1 | H36 | 90.0° | 123.0° |
| C22 | C24 | S1 | O6 | 90.0° | 72.8° |
| C22 | C24 | S1 | O4 | 90.0° | 63.8° |
| C22 | C24 | S1 | O5 | 90.0° | 175.5° |
| C24 | C22 | H34 | H35 | 90.0° | 122.9° |
| C20 | C24 | S1 | H36 | 90.0° | 123.0° |
| C20 | C24 | S1 | O6 | 90.0° | 173.1° |
| C20 | C24 | S1 | O4 | 90.0° | 50.2° |
| C20 | C24 | S1 | O5 | 90.0° | 61.5° |
| C20 | C24 | C22 | H34 | 90.0° | 118.5° |
| C20 | C24 | C22 | H35 | 90.0° | 118.5° |
| C24 | S1 | O6 | O4 | 90.0° | 131.4° |
| C24 | S1 | O6 | O5 | 90.0° | 111.8° |
| C24 | S1 | O4 | O5 | 90.0° | 111.8° |
| S1 | C24 | C22 | H34 | 90.0° | 123.0° |
| S1 | C24 | C22 | H35 | 90.0° | 0.0° |
| C24 | S1 | O5 | H37 | 90.0° | 180.0° |
| O6 | S1 | O4 | O5 | 90.0° | 116.8° |
| O6 | S1 | C24 | H36 | 90.0° | 50.1° |
| O6 | S1 | O5 | H37 | 90.0° | 63.9° |
| O4 | S1 | C24 | H36 | 90.0° | 173.2° |
| O4 | S1 | O5 | H37 | 90.0° | 63.9° |
| O5 | S1 | C24 | H36 | 90.0° | 61.5° |
| H34 | C22 | C24 | H36 | 90.0° | 0.0° |
| H35 | C22 | C24 | H36 | 90.0° | 123.0° |
