L7U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | S1 | sing | 1.81Å | 1.81Å | |
| C15 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| O3 | C14 | doub | 1.21Å | 1.24Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C17 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C18 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C22 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| S1 | S2 | sing | 2.05Å | 32.50Å | |
| S2 | C24 | sing | 1.81Å | 0.00Å | |
| C24 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | N3 | sing | 1.47Å | 0.00Å | |
| N3 | C27 | sing | 1.47Å | 0.00Å | |
| N3 | C28 | sing | 1.47Å | 0.00Å | |
| C24 | H21 | sing | 1.09Å | 0.00Å | |
| C24 | H29 | sing | 1.09Å | 0.00Å | |
| C25 | H30 | sing | 1.09Å | 0.00Å | |
| C25 | H31 | sing | 1.09Å | 0.00Å | |
| C27 | H32 | sing | 1.09Å | 0.00Å | |
| C27 | H33 | sing | 1.09Å | 0.00Å | |
| C27 | H34 | sing | 1.09Å | 0.00Å | |
| C28 | H35 | sing | 1.09Å | 0.00Å | |
| C28 | H36 | sing | 1.09Å | 0.00Å | |
| C28 | H37 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | S1 | 112.7° | 109.5° |
| C16 | C15 | N2 | 111.8° | 109.5° |
| C16 | C15 | H18 | 108.9° | 109.4° |
| C16 | C15 | H17 | 108.9° | 109.5° |
| C15 | C16 | H20 | 108.7° | 109.5° |
| C15 | C16 | H19 | 108.7° | 109.4° |
| S1 | C16 | H20 | 108.7° | 109.5° |
| S1 | C16 | H19 | 108.6° | 109.5° |
| C16 | S1 | S2 | 120.5° | 103.0° |
| C15 | N2 | C14 | 128.8° | 120.0° |
| N2 | C15 | H18 | 108.9° | 109.5° |
| N2 | C15 | H17 | 108.9° | 109.5° |
| C15 | N2 | H16 | 115.6° | 120.0° |
| N2 | C14 | O3 | 121.6° | 120.0° |
| N2 | C14 | C13 | 116.6° | 120.0° |
| C14 | N2 | H16 | 115.6° | 120.0° |
| O3 | C14 | C13 | 121.8° | 120.0° |
| C14 | C13 | C17 | 108.7° | 109.5° |
| C14 | C13 | C12 | 113.5° | 109.4° |
| C14 | C13 | H15 | 108.4° | 109.4° |
| C17 | C13 | C12 | 109.4° | 109.5° |
| C13 | C17 | C18 | 113.4° | 109.3° |
| C17 | C13 | H15 | 108.2° | 109.5° |
| C13 | C17 | H22 | 108.5° | 109.5° |
| C13 | C17 | H23 | 108.5° | 109.5° |
| C13 | C12 | C11 | 109.2° | 109.3° |
| C13 | C12 | H13 | 109.5° | 109.5° |
| C13 | C12 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 108.4° | 109.4° |
| C17 | C18 | N1 | 111.2° | 108.7° |
| C18 | C17 | H22 | 108.5° | 109.5° |
| C18 | C17 | H23 | 108.5° | 109.5° |
| C17 | C18 | H24 | 109.1° | 109.6° |
| C17 | C18 | H25 | 109.0° | 109.6° |
| C12 | C11 | N1 | 110.1° | 108.8° |
| C12 | C11 | H11 | 109.3° | 109.6° |
| C12 | C11 | H12 | 109.3° | 109.7° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C1 | O1 | C2 | 117.6° | 117.0° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C3 | 114.8° | 119.5° |
| O1 | C2 | C22 | 124.6° | 119.6° |
| C18 | N1 | C11 | 112.6° | 118.7° |
| C18 | N1 | C10 | 124.8° | 120.6° |
| N1 | C18 | H24 | 109.0° | 109.5° |
| N1 | C18 | H25 | 109.0° | 109.6° |
| C11 | N1 | C10 | 122.5° | 120.7° |
| N1 | C11 | H11 | 109.3° | 109.6° |
| N1 | C11 | H12 | 109.3° | 109.6° |
| C2 | C3 | C4 | 120.1° | 120.9° |
| C3 | C2 | C22 | 120.6° | 120.9° |
| C2 | C3 | H4 | 120.0° | 119.6° |
| C3 | C4 | C5 | 121.2° | 119.8° |
| C4 | C3 | H4 | 119.9° | 119.5° |
| C3 | C4 | H5 | 119.4° | 120.2° |
| C2 | C22 | C21 | 120.1° | 119.6° |
| C2 | C22 | H28 | 119.9° | 120.2° |
| N1 | C10 | O2 | 122.3° | 120.0° |
| N1 | C10 | C8 | 117.0° | 120.0° |
| C4 | C5 | C21 | 118.6° | 119.4° |
| C4 | C5 | C6 | 122.5° | 121.3° |
| C5 | C4 | H5 | 119.4° | 120.1° |
| C22 | C21 | C5 | 119.3° | 119.4° |
| C22 | C21 | C20 | 122.0° | 121.2° |
| C21 | C22 | H28 | 120.0° | 120.2° |
| C21 | C5 | C6 | 118.8° | 119.3° |
| C5 | C21 | C20 | 118.7° | 119.4° |
| C5 | C6 | C7 | 121.8° | 119.7° |
| C5 | C6 | H6 | 119.1° | 120.2° |
| C21 | C20 | C19 | 120.7° | 119.6° |
| C21 | C20 | H27 | 119.6° | 120.2° |
| C6 | C7 | C19 | 118.5° | 121.0° |
| C6 | C7 | C8 | 121.4° | 119.5° |
| C7 | C6 | H6 | 119.1° | 120.2° |
| C20 | C19 | C7 | 121.4° | 121.0° |
| C20 | C19 | H26 | 119.3° | 119.5° |
| C19 | C20 | H27 | 119.7° | 120.2° |
| O2 | C10 | C8 | 120.8° | 120.0° |
| C10 | C8 | C7 | 112.3° | 109.4° |
| C10 | C8 | C9 | 111.2° | 109.5° |
| C10 | C8 | H7 | 107.4° | 109.5° |
| C19 | C7 | C8 | 120.1° | 119.5° |
| C7 | C19 | H26 | 119.3° | 119.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C7 | C8 | H7 | 107.5° | 109.5° |
| C9 | C8 | H7 | 107.4° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.6° |
| H18 | C15 | H17 | 109.4° | 109.5° |
| H20 | C16 | H19 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.4° | 109.7° |
| H9 | C9 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.4° | 109.5° |
| S1 | S2 | C24 | 90.0° | 103.0° |
| S2 | C24 | C25 | 90.0° | 109.5° |
| S2 | C24 | H21 | 90.0° | 109.5° |
| S2 | C24 | H29 | 90.0° | 109.5° |
| C24 | C25 | N3 | 90.0° | 109.5° |
| C25 | C24 | H21 | 90.0° | 109.4° |
| C25 | C24 | H29 | 90.0° | 109.4° |
| C24 | C25 | H30 | 90.0° | 109.5° |
| C24 | C25 | H31 | 90.0° | 109.5° |
| C25 | N3 | C27 | 90.0° | 111.0° |
| C25 | N3 | C28 | 90.0° | 111.0° |
| N3 | C25 | H30 | 90.0° | 109.5° |
| N3 | C25 | H31 | 90.0° | 109.5° |
| C27 | N3 | C28 | 90.0° | 111.0° |
| N3 | C27 | H32 | 90.0° | 109.5° |
| N3 | C27 | H33 | 90.0° | 109.4° |
| N3 | C27 | H34 | 90.0° | 109.5° |
| N3 | C28 | H35 | 90.0° | 109.5° |
| N3 | C28 | H36 | 90.0° | 109.5° |
| N3 | C28 | H37 | 90.0° | 109.5° |
| H21 | C24 | H29 | 90.0° | 109.4° |
| H30 | C25 | H31 | 90.0° | 109.5° |
| H32 | C27 | H33 | 90.0° | 109.5° |
| H32 | C27 | H34 | 90.0° | 109.5° |
| H33 | C27 | H34 | 90.0° | 109.5° |
| H35 | C28 | H36 | 90.0° | 109.5° |
| H35 | C28 | H37 | 90.0° | 109.4° |
| H36 | C28 | H37 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | S1 | H20 | 120.5° | 120.1° |
| C15 | C16 | S1 | H19 | 120.5° | 120.0° |
| C16 | C15 | N2 | H18 | 120.4° | 120.0° |
| C16 | C15 | N2 | H17 | 120.4° | 120.0° |
| C16 | C15 | N2 | C14 | 55.7° | 180.0° |
| C16 | C15 | H18 | H17 | 118.9° | 120.0° |
| C15 | C16 | H20 | H19 | 118.5° | 119.9° |
| C16 | C15 | N2 | H16 | 124.3° | 0.1° |
| C15 | C16 | S1 | S2 | 141.3° | 70.0° |
| S1 | C16 | C15 | N2 | 47.0° | 180.0° |
| S1 | C16 | C15 | H18 | 73.3° | 60.0° |
| S1 | C16 | C15 | H17 | 167.4° | 60.0° |
| S1 | C16 | H20 | H19 | 118.5° | 120.0° |
| C16 | S1 | S2 | C24 | 90.0° | 85.0° |
| C15 | N2 | C14 | H16 | 180.0° | 179.9° |
| C15 | N2 | C14 | O3 | 0.4° | 0.0° |
| C15 | N2 | C14 | C13 | 178.3° | 180.0° |
| N2 | C15 | H18 | H17 | 118.9° | 120.0° |
| N2 | C15 | C16 | H20 | 73.5° | 59.9° |
| N2 | C15 | C16 | H19 | 167.5° | 60.0° |
| N2 | C14 | O3 | C13 | 177.7° | 180.0° |
| N2 | C14 | C13 | C17 | 113.9° | 180.0° |
| N2 | C14 | C13 | C12 | 124.1° | 59.9° |
| N2 | C14 | C13 | H15 | 3.6° | 60.0° |
| C14 | N2 | C15 | H18 | 176.1° | 60.0° |
| C14 | N2 | C15 | H17 | 64.7° | 60.0° |
| O3 | C14 | C13 | C17 | 64.0° | 0.0° |
| O3 | C14 | C13 | C12 | 58.1° | 120.1° |
| O3 | C14 | C13 | H15 | 178.5° | 120.0° |
| O3 | C14 | N2 | H16 | 179.6° | 180.0° |
| C14 | C13 | C17 | C12 | 124.4° | 120.0° |
| C14 | C13 | C17 | H15 | 117.6° | 120.0° |
| C14 | C13 | C12 | H15 | 120.5° | 119.9° |
| C14 | C13 | C17 | C18 | 175.3° | 178.6° |
| C14 | C13 | C12 | C11 | 177.7° | 178.6° |
| C14 | C13 | C12 | H13 | 62.3° | 61.5° |
| C14 | C13 | C12 | H14 | 57.7° | 58.7° |
| C14 | C13 | C17 | H22 | 54.7° | 61.4° |
| C14 | C13 | C17 | H23 | 64.1° | 58.7° |
| C13 | C14 | N2 | H16 | 1.7° | 0.0° |
| C17 | C13 | C12 | H15 | 117.9° | 120.1° |
| C13 | C17 | C18 | H22 | 120.6° | 120.0° |
| C13 | C17 | C18 | H23 | 120.6° | 119.9° |
| C17 | C13 | C12 | C11 | 56.1° | 61.4° |
| C13 | C17 | C18 | N1 | 49.6° | 54.7° |
| C17 | C13 | C12 | H13 | 176.1° | 58.5° |
| C17 | C13 | C12 | H14 | 63.9° | 178.7° |
| C13 | C17 | H22 | H23 | 118.2° | 120.1° |
| C13 | C17 | C18 | H24 | 169.8° | 174.4° |
| C13 | C17 | C18 | H25 | 70.7° | 65.1° |
| C12 | C13 | C17 | C18 | 50.9° | 61.4° |
| C13 | C12 | C11 | H13 | 119.9° | 119.9° |
| C13 | C12 | C11 | H14 | 120.0° | 120.0° |
| C13 | C12 | C11 | N1 | 61.8° | 54.6° |
| C13 | C12 | C11 | H11 | 58.3° | 65.2° |
| C13 | C12 | C11 | H12 | 178.1° | 174.5° |
| C13 | C12 | H13 | H14 | 120.1° | 120.1° |
| C12 | C13 | C17 | H22 | 69.7° | 58.6° |
| C12 | C13 | C17 | H23 | 171.5° | 178.7° |
| C17 | C18 | N1 | H24 | 120.3° | 119.8° |
| C17 | C18 | N1 | H25 | 120.3° | 119.8° |
| C17 | C18 | N1 | C11 | 54.4° | 53.6° |
| C17 | C18 | N1 | C10 | 127.7° | 126.4° |
| C18 | C17 | C13 | H15 | 67.1° | 58.6° |
| C18 | C17 | H22 | H23 | 118.2° | 120.0° |
| C17 | C18 | H24 | H25 | 119.2° | 120.4° |
| C12 | C11 | N1 | C18 | 61.5° | 53.6° |
| C12 | C11 | N1 | H11 | 120.1° | 119.9° |
| C12 | C11 | N1 | H12 | 120.1° | 120.0° |
| C12 | C11 | N1 | C10 | 120.6° | 126.4° |
| C12 | C11 | H11 | H12 | 119.7° | 120.4° |
| C11 | C12 | H13 | H14 | 120.1° | 120.1° |
| C11 | C12 | C13 | H15 | 61.8° | 58.7° |
| C1 | O1 | C2 | C3 | 165.9° | 0.0° |
| C1 | O1 | C2 | C22 | 14.3° | 180.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C2 | C3 | C22 | 179.8° | 180.0° |
| O1 | C2 | C3 | C4 | 179.8° | 180.0° |
| O1 | C2 | C22 | C21 | 179.5° | 180.0° |
| C2 | O1 | C1 | H3 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O1 | C2 | C22 | H28 | 0.5° | 0.1° |
| O1 | C2 | C3 | H4 | 0.2° | 0.1° |
| C18 | N1 | C11 | C10 | 177.9° | 180.0° |
| C18 | N1 | C10 | O2 | 10.7° | 5.6° |
| C18 | N1 | C10 | C8 | 167.8° | 174.4° |
| C18 | N1 | C11 | H11 | 58.5° | 66.2° |
| C18 | N1 | C11 | H12 | 178.4° | 173.6° |
| N1 | C18 | C17 | H22 | 71.0° | 65.3° |
| N1 | C18 | C17 | H23 | 170.2° | 174.6° |
| N1 | C18 | H24 | H25 | 119.2° | 120.4° |
| C11 | N1 | C10 | O2 | 171.6° | 174.4° |
| C11 | N1 | C10 | C8 | 9.9° | 5.6° |
| N1 | C11 | H11 | H12 | 119.7° | 120.2° |
| N1 | C11 | C12 | H13 | 178.3° | 65.3° |
| N1 | C11 | C12 | H14 | 58.2° | 174.6° |
| C11 | N1 | C18 | H24 | 174.7° | 173.4° |
| C11 | N1 | C18 | H25 | 65.8° | 66.2° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C22 | C21 | 0.2° | 0.0° |
| C3 | C2 | C22 | H28 | 179.8° | 180.0° |
| C2 | C3 | C4 | H5 | 179.7° | 180.0° |
| C4 | C3 | C2 | C22 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C21 | 0.4° | 0.0° |
| C3 | C4 | C5 | C6 | 180.0° | 180.0° |
| C2 | C22 | C21 | H28 | 180.0° | 180.0° |
| C2 | C22 | C21 | C5 | 0.9° | 0.0° |
| C2 | C22 | C21 | C20 | 180.0° | 180.0° |
| C22 | C2 | C3 | H4 | 179.6° | 179.9° |
| N1 | C10 | O2 | C8 | 178.4° | 180.0° |
| N1 | C10 | C8 | C7 | 94.0° | 166.0° |
| N1 | C10 | C8 | C9 | 141.3° | 74.0° |
| C10 | N1 | C11 | H11 | 119.4° | 113.8° |
| C10 | N1 | C11 | H12 | 0.5° | 6.4° |
| C10 | N1 | C18 | H24 | 7.4° | 6.6° |
| C10 | N1 | C18 | H25 | 112.0° | 113.8° |
| N1 | C10 | C8 | H7 | 24.0° | 46.0° |
| C4 | C5 | C21 | C22 | 1.0° | 0.0° |
| C4 | C5 | C21 | C6 | 179.6° | 179.9° |
| C4 | C5 | C21 | C20 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.6° | 179.8° |
| C5 | C4 | C3 | H4 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 0.4° | 0.1° |
| C22 | C21 | C5 | C20 | 179.1° | 180.0° |
| C22 | C21 | C5 | C6 | 179.4° | 180.0° |
| C22 | C21 | C20 | C19 | 179.6° | 180.0° |
| C22 | C21 | C20 | H27 | 0.4° | 0.0° |
| C21 | C5 | C6 | C7 | 0.8° | 0.3° |
| C5 | C21 | C20 | C19 | 0.5° | 0.0° |
| C5 | C21 | C20 | H27 | 179.5° | 180.0° |
| C5 | C21 | C22 | H28 | 179.1° | 180.0° |
| C21 | C5 | C4 | H5 | 179.6° | 180.0° |
| C21 | C5 | C6 | H6 | 179.2° | 180.0° |
| C6 | C5 | C21 | C20 | 0.2° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C19 | 1.5° | 0.5° |
| C5 | C6 | C7 | C8 | 179.6° | 179.9° |
| C6 | C5 | C4 | H5 | 0.0° | 0.0° |
| C21 | C20 | C19 | H27 | 180.0° | 180.0° |
| C21 | C20 | C19 | C7 | 1.3° | 0.3° |
| C21 | C20 | C19 | H26 | 178.7° | 180.0° |
| C20 | C21 | C22 | H28 | 0.0° | 0.0° |
| C6 | C7 | C19 | C20 | 1.8° | 0.5° |
| C6 | C7 | C8 | C10 | 122.0° | 120.0° |
| C6 | C7 | C19 | C8 | 178.1° | 179.5° |
| C6 | C7 | C8 | C9 | 113.0° | 120.0° |
| C6 | C7 | C19 | H26 | 178.2° | 179.7° |
| C6 | C7 | C8 | H7 | 4.0° | 0.0° |
| C20 | C19 | C7 | H26 | 180.0° | 179.8° |
| C20 | C19 | C7 | C8 | 179.9° | 180.0° |
| O2 | C10 | C8 | C7 | 87.5° | 14.0° |
| O2 | C10 | C8 | C9 | 37.2° | 106.0° |
| O2 | C10 | C8 | H7 | 154.5° | 134.0° |
| C10 | C8 | C7 | C19 | 59.9° | 59.5° |
| C10 | C8 | C7 | C9 | 125.0° | 120.0° |
| C10 | C8 | C7 | H7 | 118.0° | 120.0° |
| C10 | C8 | C9 | H7 | 117.3° | 120.0° |
| C10 | C8 | C9 | H9 | 180.0° | 53.3° |
| C10 | C8 | C9 | H8 | 60.0° | 66.8° |
| C10 | C8 | C9 | H10 | 60.0° | 173.2° |
| C19 | C7 | C8 | C9 | 65.1° | 60.5° |
| C7 | C19 | C20 | H27 | 178.7° | 179.8° |
| C19 | C7 | C6 | H6 | 178.5° | 179.8° |
| C19 | C7 | C8 | H7 | 177.9° | 179.5° |
| C7 | C8 | C9 | H7 | 117.1° | 120.1° |
| C8 | C7 | C19 | H26 | 0.1° | 0.2° |
| C8 | C7 | C6 | H6 | 0.4° | 0.3° |
| C7 | C8 | C9 | H9 | 54.3° | 66.7° |
| C7 | C8 | C9 | H8 | 65.6° | 173.3° |
| C7 | C8 | C9 | H10 | 174.4° | 53.3° |
| C8 | C9 | H9 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 119.9° |
| C8 | C9 | H8 | H10 | 120.0° | 120.0° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
| H11 | C11 | C12 | H13 | 61.7° | 174.9° |
| H11 | C11 | C12 | H14 | 178.2° | 54.8° |
| H12 | C11 | C12 | H13 | 58.1° | 54.6° |
| H12 | C11 | C12 | H14 | 62.0° | 65.5° |
| H13 | C12 | C13 | H15 | 58.2° | 178.6° |
| H14 | C12 | C13 | H15 | 178.3° | 61.3° |
| H15 | C13 | C17 | H22 | 172.4° | 178.6° |
| H15 | C13 | C17 | H23 | 53.5° | 61.3° |
| H18 | C15 | C16 | H20 | 166.2° | 60.1° |
| H18 | C15 | C16 | H19 | 47.1° | 180.0° |
| H18 | C15 | N2 | H16 | 3.9° | 120.0° |
| H17 | C15 | C16 | H20 | 46.9° | 179.9° |
| H17 | C15 | C16 | H19 | 72.1° | 60.0° |
| H17 | C15 | N2 | H16 | 115.3° | 120.0° |
| H20 | C16 | S1 | S2 | 20.8° | 50.1° |
| H19 | C16 | S1 | S2 | 98.2° | 170.0° |
| H22 | C17 | C18 | H24 | 49.2° | 54.4° |
| H22 | C17 | C18 | H25 | 168.7° | 174.9° |
| H23 | C17 | C18 | H24 | 69.6° | 65.7° |
| H23 | C17 | C18 | H25 | 49.9° | 54.8° |
| H26 | C19 | C20 | H27 | 1.3° | 0.0° |
| H4 | C3 | C4 | H5 | 0.3° | 0.1° |
| H7 | C8 | C9 | H9 | 62.7° | 173.3° |
| H7 | C8 | C9 | H8 | 177.3° | 53.2° |
| H7 | C8 | C9 | H10 | 57.3° | 66.8° |
| H9 | C9 | H8 | H10 | 120.0° | 120.0° |
| S1 | S2 | C24 | C25 | 90.0° | 70.0° |
| S1 | S2 | C24 | H21 | 90.0° | 170.0° |
| S1 | S2 | C24 | H29 | 90.0° | 50.0° |
| S2 | C24 | C25 | H21 | 90.0° | 120.0° |
| S2 | C24 | C25 | H29 | 90.0° | 120.1° |
| S2 | C24 | C25 | N3 | 90.0° | 180.0° |
| S2 | C24 | H21 | H29 | 90.0° | 120.1° |
| S2 | C24 | C25 | H30 | 90.0° | 60.0° |
| S2 | C24 | C25 | H31 | 90.0° | 60.0° |
| C24 | C25 | N3 | H30 | 90.0° | 120.0° |
| C24 | C25 | N3 | H31 | 90.0° | 120.0° |
| C24 | C25 | N3 | C27 | 90.0° | 170.0° |
| C24 | C25 | N3 | C28 | 90.0° | 66.0° |
| C25 | C24 | H21 | H29 | 90.0° | 119.9° |
| C24 | C25 | H30 | H31 | 90.0° | 120.0° |
| C25 | N3 | C27 | C28 | 90.0° | 124.0° |
| N3 | C25 | C24 | H21 | 90.0° | 60.0° |
| N3 | C25 | C24 | H29 | 90.0° | 59.9° |
| N3 | C25 | H30 | H31 | 90.0° | 120.0° |
| C25 | N3 | C27 | H32 | 90.0° | 60.0° |
| C25 | N3 | C27 | H33 | 90.0° | 180.0° |
| C25 | N3 | C27 | H34 | 90.0° | 60.0° |
| C25 | N3 | C28 | H35 | 90.0° | 60.0° |
| C25 | N3 | C28 | H36 | 90.0° | 180.0° |
| C25 | N3 | C28 | H37 | 90.0° | 60.0° |
| C27 | N3 | C25 | H30 | 90.0° | 50.0° |
| C27 | N3 | C25 | H31 | 90.0° | 70.0° |
| N3 | C27 | H32 | H33 | 90.0° | 120.0° |
| N3 | C27 | H32 | H34 | 90.0° | 120.0° |
| N3 | C27 | H33 | H34 | 90.0° | 120.0° |
| C27 | N3 | C28 | H35 | 90.0° | 176.1° |
| C27 | N3 | C28 | H36 | 90.0° | 56.1° |
| C27 | N3 | C28 | H37 | 90.0° | 64.0° |
| C28 | N3 | C25 | H30 | 90.0° | 174.0° |
| C28 | N3 | C25 | H31 | 90.0° | 53.9° |
| C28 | N3 | C27 | H32 | 90.0° | 63.9° |
| C28 | N3 | C27 | H33 | 90.0° | 56.1° |
| C28 | N3 | C27 | H34 | 90.0° | 176.0° |
| N3 | C28 | H35 | H36 | 90.0° | 120.0° |
| N3 | C28 | H35 | H37 | 90.0° | 120.0° |
| N3 | C28 | H36 | H37 | 90.0° | 120.0° |
| H21 | C24 | C25 | H30 | 90.0° | 179.9° |
| H21 | C24 | C25 | H31 | 90.0° | 60.0° |
| H29 | C24 | C25 | H30 | 90.0° | 60.0° |
| H29 | C24 | C25 | H31 | 90.0° | 179.9° |
| H32 | C27 | H33 | H34 | 90.0° | 120.0° |
| H35 | C28 | H36 | H37 | 90.0° | 119.9° |
