A1LZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.37Å | 1.37Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C3 | C5 | sing | 1.47Å | 1.43Å | |
| C5 | C6 | sing | 1.47Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.45Å | |
| N1 | C7 | sing | 1.35Å | 1.39Å | |
| C7 | O1 | doub | 1.22Å | 1.24Å | |
| C6 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | N2 | sing | 1.34Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C5 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| N4 | S1 | sing | 1.66Å | 1.63Å | |
| S1 | C15 | sing | 1.81Å | 1.74Å | |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.49Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 120.3° | 118.4° |
| C1 | N1 | C7 | 116.6° | 118.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C2 | C3 | 126.0° | 122.9° |
| C2 | N1 | C7 | 123.0° | 123.1° |
| N1 | C2 | H4 | 117.0° | 118.6° |
| C2 | C3 | C4 | 120.3° | 120.4° |
| C2 | C3 | C5 | 114.8° | 119.1° |
| C3 | C2 | H4 | 117.0° | 118.5° |
| C4 | C3 | C5 | 124.9° | 120.5° |
| C3 | C4 | C16 | 123.0° | 120.2° |
| C3 | C4 | C20 | 119.3° | 120.1° |
| C3 | C5 | C6 | 119.9° | 117.5° |
| C3 | C5 | N3 | 129.1° | 135.6° |
| C5 | C6 | C7 | 123.6° | 117.8° |
| C5 | C6 | C8 | 105.2° | 106.5° |
| C6 | C5 | N3 | 110.9° | 106.9° |
| C6 | C7 | N1 | 112.6° | 119.4° |
| C6 | C7 | O1 | 124.7° | 120.3° |
| C7 | C6 | C8 | 131.2° | 135.7° |
| N1 | C7 | O1 | 122.7° | 120.3° |
| C6 | C8 | N2 | 106.3° | 107.8° |
| C6 | C8 | H5 | 126.9° | 126.1° |
| C8 | N2 | N3 | 113.5° | 109.8° |
| C8 | N2 | C9 | 126.5° | 125.1° |
| N2 | C8 | H5 | 126.9° | 126.1° |
| N2 | N3 | C5 | 104.0° | 109.0° |
| N3 | N2 | C9 | 119.9° | 125.1° |
| N2 | C9 | C10 | 113.1° | 109.4° |
| N2 | C9 | H6 | 108.5° | 109.4° |
| N2 | C9 | H7 | 108.5° | 109.5° |
| C9 | C10 | C11 | 113.2° | 109.4° |
| C9 | C10 | C14 | 112.1° | 109.4° |
| C10 | C9 | H6 | 108.6° | 109.5° |
| C10 | C9 | H7 | 108.6° | 109.5° |
| C9 | C10 | H8 | 107.2° | 109.5° |
| C11 | C12 | N4 | 109.8° | 108.8° |
| C12 | C11 | C10 | 111.0° | 109.3° |
| C12 | C11 | H9 | 109.1° | 109.5° |
| C12 | C11 | H10 | 109.1° | 109.5° |
| C11 | C12 | H11 | 109.4° | 109.6° |
| C11 | C12 | H12 | 109.4° | 109.6° |
| C12 | N4 | C13 | 113.1° | 118.7° |
| C12 | N4 | S1 | 118.4° | 120.7° |
| N4 | C12 | H11 | 109.4° | 109.6° |
| N4 | C12 | H12 | 109.4° | 109.6° |
| N4 | C13 | C14 | 109.0° | 108.8° |
| C13 | N4 | S1 | 114.8° | 120.6° |
| N4 | C13 | H13 | 109.6° | 109.6° |
| N4 | C13 | H14 | 109.6° | 109.6° |
| C13 | C14 | C10 | 111.9° | 109.3° |
| C14 | C13 | H13 | 109.6° | 109.6° |
| C14 | C13 | H14 | 109.6° | 109.5° |
| C13 | C14 | H16 | 108.9° | 109.5° |
| C13 | C14 | H15 | 108.9° | 109.5° |
| C11 | C10 | C14 | 109.9° | 109.5° |
| C11 | C10 | H8 | 106.9° | 109.4° |
| C10 | C11 | H9 | 109.1° | 109.5° |
| C10 | C11 | H10 | 109.1° | 109.5° |
| C14 | C10 | H8 | 107.2° | 109.5° |
| C10 | C14 | H16 | 108.8° | 109.6° |
| C10 | C14 | H15 | 108.8° | 109.5° |
| N4 | S1 | C15 | 107.6° | 104.5° |
| N4 | S1 | O2 | 107.4° | 104.3° |
| N4 | S1 | O3 | 106.6° | 104.2° |
| C15 | S1 | O2 | 108.5° | 110.6° |
| C15 | S1 | O3 | 108.3° | 110.6° |
| S1 | C15 | H19 | 109.5° | 109.5° |
| S1 | C15 | H17 | 109.5° | 109.4° |
| S1 | C15 | H18 | 109.5° | 109.4° |
| O2 | S1 | O3 | 118.0° | 121.0° |
| C16 | C17 | C18 | 120.9° | 120.1° |
| C17 | C16 | C4 | 119.1° | 119.8° |
| C17 | C16 | O4 | 124.5° | 120.1° |
| C16 | C17 | H20 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.3° |
| C18 | C17 | H20 | 119.5° | 120.0° |
| C17 | C18 | H21 | 119.7° | 119.8° |
| C18 | C19 | C20 | 118.8° | 120.2° |
| C19 | C18 | H21 | 119.7° | 119.9° |
| C18 | C19 | H22 | 120.6° | 119.8° |
| C19 | C20 | C4 | 122.6° | 120.0° |
| C20 | C19 | H22 | 120.6° | 120.0° |
| C19 | C20 | H23 | 118.7° | 120.0° |
| C16 | C4 | C20 | 117.7° | 119.7° |
| C4 | C16 | O4 | 116.3° | 120.1° |
| C4 | C20 | H23 | 118.7° | 120.1° |
| C16 | O4 | C21 | 116.2° | 117.0° |
| O4 | C21 | C22 | 108.8° | 109.5° |
| O4 | C21 | H24 | 109.6° | 109.4° |
| O4 | C21 | H25 | 109.6° | 109.5° |
| C21 | C22 | C23 | 115.4° | 117.5° |
| C21 | C22 | C24 | 122.3° | 117.5° |
| C22 | C21 | H24 | 109.6° | 109.5° |
| C22 | C21 | H25 | 109.7° | 109.5° |
| C21 | C22 | H26 | 116.1° | 115.6° |
| C24 | C23 | C22 | 60.0° | 60.0° |
| C23 | C24 | C22 | 61.5° | 60.0° |
| C24 | C23 | H27 | 120.0° | 117.5° |
| C24 | C23 | H28 | 120.0° | 117.5° |
| C23 | C24 | H30 | 119.7° | 117.5° |
| C23 | C24 | H29 | 119.8° | 117.5° |
| C23 | C22 | C24 | 58.6° | 60.0° |
| C23 | C22 | H26 | 115.6° | 117.5° |
| C22 | C23 | H27 | 120.0° | 117.5° |
| C22 | C23 | H28 | 120.0° | 117.5° |
| C24 | C22 | H26 | 116.0° | 117.6° |
| C22 | C24 | H30 | 119.8° | 117.5° |
| C22 | C24 | H29 | 119.8° | 117.5° |
| H3 | C1 | H1 | 109.4° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.7° |
| H13 | C13 | H14 | 109.5° | 109.7° |
| H16 | C14 | H15 | 109.5° | 109.5° |
| H19 | C15 | H17 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.4° | 109.5° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.4° | 115.6° |
| H30 | C24 | H29 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C7 | 177.4° | 179.7° |
| C1 | N1 | C2 | C3 | 176.8° | 180.0° |
| C1 | N1 | C7 | C6 | 179.1° | 179.8° |
| C1 | N1 | C7 | O1 | 2.2° | 0.0° |
| N1 | C1 | H3 | H1 | 120.0° | 119.9° |
| N1 | C1 | H3 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | N1 | C2 | H4 | 3.2° | 0.0° |
| N1 | C2 | C3 | H4 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 179.7° | 180.0° |
| N1 | C2 | C3 | C5 | 1.7° | 0.0° |
| C2 | N1 | C7 | C6 | 1.7° | 0.5° |
| C2 | N1 | C7 | O1 | 179.7° | 179.8° |
| C2 | N1 | C1 | H3 | 180.0° | 90.0° |
| C2 | N1 | C1 | H1 | 60.0° | 150.1° |
| C2 | N1 | C1 | H2 | 60.0° | 30.0° |
| C2 | C3 | C4 | C5 | 178.5° | 180.0° |
| C2 | C3 | C5 | C6 | 0.4° | 0.1° |
| C3 | C2 | N1 | C7 | 0.6° | 0.2° |
| C2 | C3 | C5 | N3 | 176.7° | 179.9° |
| C2 | C3 | C4 | C16 | 123.0° | 75.0° |
| C2 | C3 | C4 | C20 | 55.1° | 104.7° |
| C4 | C3 | C5 | C6 | 179.0° | 180.0° |
| C4 | C3 | C5 | N3 | 1.9° | 0.1° |
| C3 | C4 | C16 | C17 | 178.7° | 180.0° |
| C3 | C4 | C20 | C19 | 177.8° | 179.7° |
| C3 | C4 | C16 | C20 | 178.1° | 179.7° |
| C3 | C4 | C16 | O4 | 3.7° | 0.0° |
| C4 | C3 | C2 | H4 | 0.3° | 0.0° |
| C3 | C4 | C20 | H23 | 2.2° | 0.0° |
| C3 | C5 | C6 | N3 | 177.6° | 179.9° |
| C3 | C5 | C6 | C7 | 1.9° | 0.3° |
| C3 | C5 | C6 | C8 | 178.3° | 180.0° |
| C3 | C5 | N3 | N2 | 178.3° | 180.0° |
| C5 | C3 | C4 | C16 | 58.5° | 105.0° |
| C5 | C3 | C4 | C20 | 123.5° | 75.2° |
| C5 | C3 | C2 | H4 | 178.4° | 179.9° |
| C5 | C6 | C7 | C8 | 179.7° | 179.6° |
| C5 | C6 | C7 | N1 | 2.9° | 0.5° |
| C5 | C6 | C7 | O1 | 178.5° | 179.7° |
| C5 | C6 | C8 | N2 | 0.1° | 0.0° |
| C6 | C5 | N3 | N2 | 1.0° | 0.1° |
| C5 | C6 | C8 | H5 | 179.8° | 179.9° |
| C6 | C7 | N1 | O1 | 178.7° | 179.7° |
| C7 | C6 | C8 | N2 | 179.8° | 179.7° |
| C7 | C6 | C5 | N3 | 179.5° | 179.8° |
| C7 | C6 | C8 | H5 | 0.1° | 0.2° |
| N1 | C7 | C6 | C8 | 177.5° | 179.9° |
| C7 | N1 | C1 | H3 | 2.4° | 90.2° |
| C7 | N1 | C1 | H1 | 117.5° | 29.7° |
| C7 | N1 | C1 | H2 | 122.5° | 149.7° |
| C7 | N1 | C2 | H4 | 179.4° | 179.7° |
| O1 | C7 | C6 | C8 | 1.2° | 0.1° |
| C6 | C8 | N2 | H5 | 180.0° | 179.9° |
| C6 | C8 | N2 | N3 | 0.5° | 0.0° |
| C8 | C6 | C5 | N3 | 0.7° | 0.1° |
| C6 | C8 | N2 | C9 | 177.1° | 180.0° |
| C8 | N2 | N3 | C9 | 177.8° | 179.9° |
| C8 | N2 | N3 | C5 | 0.9° | 0.1° |
| C8 | N2 | C9 | C10 | 93.2° | 125.0° |
| C8 | N2 | C9 | H6 | 27.4° | 115.1° |
| C8 | N2 | C9 | H7 | 146.3° | 5.0° |
| N3 | N2 | C9 | C10 | 84.3° | 54.9° |
| N3 | N2 | C8 | H5 | 179.5° | 180.0° |
| N3 | N2 | C9 | H6 | 155.2° | 65.0° |
| N3 | N2 | C9 | H7 | 36.3° | 175.0° |
| C5 | N3 | N2 | C9 | 176.8° | 180.0° |
| N2 | C9 | C10 | H6 | 120.5° | 119.9° |
| N2 | C9 | C10 | H7 | 120.6° | 120.0° |
| N2 | C9 | C10 | C11 | 74.0° | 175.0° |
| N2 | C9 | C10 | C14 | 51.1° | 65.0° |
| C9 | N2 | C8 | H5 | 2.9° | 0.1° |
| N2 | C9 | H6 | H7 | 118.3° | 120.0° |
| N2 | C9 | C10 | H8 | 168.4° | 55.0° |
| C9 | C10 | C11 | C12 | 179.4° | 178.6° |
| C9 | C10 | C14 | C13 | 179.0° | 178.7° |
| C9 | C10 | C11 | C14 | 126.3° | 120.0° |
| C9 | C10 | C11 | H8 | 117.8° | 120.0° |
| C9 | C10 | C14 | H8 | 117.4° | 120.0° |
| C10 | C9 | H6 | H7 | 118.4° | 120.0° |
| C9 | C10 | C11 | H9 | 60.3° | 58.7° |
| C9 | C10 | C11 | H10 | 59.2° | 61.4° |
| C9 | C10 | C14 | H16 | 58.6° | 61.4° |
| C9 | C10 | C14 | H15 | 60.7° | 58.7° |
| C11 | C12 | N4 | H11 | 120.0° | 119.8° |
| C11 | C12 | N4 | H12 | 120.1° | 119.8° |
| C11 | C12 | N4 | C13 | 60.0° | 53.6° |
| C12 | C11 | C10 | H9 | 120.3° | 120.0° |
| C12 | C11 | C10 | H10 | 120.2° | 120.0° |
| C12 | C11 | C10 | C14 | 54.3° | 61.4° |
| C11 | C12 | N4 | S1 | 161.6° | 126.4° |
| C12 | C11 | C10 | H8 | 61.7° | 58.6° |
| C12 | C11 | H9 | H10 | 119.3° | 120.1° |
| C11 | C12 | H11 | H12 | 119.9° | 120.4° |
| C12 | N4 | C13 | S1 | 140.0° | 180.0° |
| C12 | N4 | C13 | C14 | 58.9° | 53.6° |
| N4 | C12 | C11 | C10 | 56.6° | 54.7° |
| C12 | N4 | S1 | C15 | 76.6° | 90.0° |
| C12 | N4 | S1 | O2 | 40.1° | 153.9° |
| C12 | N4 | S1 | O3 | 167.4° | 26.1° |
| N4 | C12 | C11 | H9 | 63.6° | 174.6° |
| N4 | C12 | C11 | H10 | 176.8° | 65.3° |
| N4 | C12 | H11 | H12 | 119.8° | 120.3° |
| C12 | N4 | C13 | H13 | 61.0° | 66.1° |
| C12 | N4 | C13 | H14 | 178.8° | 173.4° |
| N4 | C13 | C14 | H13 | 119.9° | 119.8° |
| N4 | C13 | C14 | H14 | 119.9° | 119.8° |
| N4 | C13 | C14 | C10 | 55.6° | 54.6° |
| C13 | N4 | S1 | C15 | 61.2° | 90.0° |
| C13 | N4 | S1 | O2 | 177.9° | 26.1° |
| C13 | N4 | S1 | O3 | 54.8° | 153.9° |
| C13 | N4 | C12 | H11 | 60.0° | 66.2° |
| C13 | N4 | C12 | H12 | 179.9° | 173.4° |
| N4 | C13 | H13 | H14 | 120.2° | 120.4° |
| N4 | C13 | C14 | H16 | 175.9° | 65.3° |
| N4 | C13 | C14 | H15 | 64.8° | 174.6° |
| C13 | C14 | C10 | C11 | 54.2° | 61.4° |
| C13 | C14 | C10 | H16 | 120.4° | 119.9° |
| C13 | C14 | C10 | H15 | 120.4° | 119.9° |
| C14 | C13 | N4 | S1 | 161.1° | 126.4° |
| C13 | C14 | C10 | H8 | 61.6° | 58.6° |
| C14 | C13 | H13 | H14 | 120.2° | 120.3° |
| C13 | C14 | H16 | H15 | 118.9° | 120.1° |
| C11 | C10 | C14 | H8 | 115.8° | 120.0° |
| C11 | C10 | C9 | H6 | 165.5° | 55.1° |
| C11 | C10 | C9 | H7 | 46.5° | 65.0° |
| C10 | C11 | H9 | H10 | 119.3° | 120.0° |
| C10 | C11 | C12 | H11 | 63.4° | 65.2° |
| C10 | C11 | C12 | H12 | 176.6° | 174.4° |
| C11 | C10 | C14 | H16 | 174.6° | 58.6° |
| C11 | C10 | C14 | H15 | 66.2° | 178.7° |
| C14 | C10 | C9 | H6 | 69.5° | 175.1° |
| C14 | C10 | C9 | H7 | 171.6° | 55.1° |
| C14 | C10 | C11 | H9 | 66.0° | 178.7° |
| C14 | C10 | C11 | H10 | 174.5° | 58.6° |
| C10 | C14 | C13 | H13 | 64.4° | 65.2° |
| C10 | C14 | C13 | H14 | 175.5° | 174.4° |
| C10 | C14 | H16 | H15 | 118.9° | 120.1° |
| N4 | S1 | C15 | O2 | 115.9° | 111.6° |
| N4 | S1 | C15 | O3 | 114.8° | 111.6° |
| N4 | S1 | O2 | O3 | 120.4° | 116.6° |
| S1 | N4 | C12 | H11 | 78.4° | 113.8° |
| S1 | N4 | C12 | H12 | 41.5° | 6.6° |
| S1 | N4 | C13 | H13 | 79.0° | 113.8° |
| S1 | N4 | C13 | H14 | 41.2° | 6.6° |
| N4 | S1 | C15 | H19 | 180.0° | 60.0° |
| N4 | S1 | C15 | H17 | 60.0° | 179.9° |
| N4 | S1 | C15 | H18 | 60.0° | 60.0° |
| C15 | S1 | O2 | O3 | 123.6° | 131.6° |
| S1 | C15 | H19 | H17 | 120.0° | 120.0° |
| S1 | C15 | H19 | H18 | 120.0° | 120.0° |
| S1 | C15 | H17 | H18 | 120.0° | 119.9° |
| O2 | S1 | C15 | H19 | 64.1° | 51.6° |
| O2 | S1 | C15 | H17 | 175.9° | 68.4° |
| O2 | S1 | C15 | H18 | 55.9° | 171.6° |
| O3 | S1 | C15 | H19 | 65.2° | 171.6° |
| O3 | S1 | C15 | H17 | 54.9° | 68.4° |
| O3 | S1 | C15 | H18 | 174.8° | 51.6° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 3.3° | 0.0° |
| C17 | C16 | C4 | O4 | 177.5° | 180.0° |
| C17 | C16 | C4 | C20 | 3.2° | 0.2° |
| C17 | C16 | O4 | C21 | 0.3° | 0.1° |
| C16 | C17 | C18 | H21 | 176.8° | 180.0° |
| C17 | C18 | C19 | H21 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 6.8° | 0.2° |
| C18 | C17 | C16 | C4 | 1.8° | 0.1° |
| C18 | C17 | C16 | O4 | 175.5° | 180.0° |
| C17 | C18 | C19 | H22 | 173.2° | 180.0° |
| C18 | C19 | C20 | H22 | 180.0° | 179.7° |
| C18 | C19 | C20 | C4 | 5.4° | 0.5° |
| C19 | C18 | C17 | H20 | 176.7° | 180.0° |
| C18 | C19 | C20 | H23 | 174.6° | 179.7° |
| C19 | C20 | C4 | C16 | 0.4° | 0.5° |
| C19 | C20 | C4 | H23 | 180.0° | 179.7° |
| C20 | C19 | C18 | H21 | 173.3° | 179.7° |
| C4 | C16 | O4 | C21 | 177.7° | 180.0° |
| C4 | C16 | C17 | H20 | 178.2° | 180.0° |
| C16 | C4 | C20 | H23 | 179.6° | 179.7° |
| C20 | C4 | C16 | O4 | 174.3° | 179.7° |
| C4 | C20 | C19 | H22 | 174.6° | 179.7° |
| C16 | O4 | C21 | C22 | 168.4° | 180.0° |
| O4 | C16 | C17 | H20 | 4.5° | 0.1° |
| C16 | O4 | C21 | H24 | 71.7° | 60.0° |
| C16 | O4 | C21 | H25 | 48.5° | 59.9° |
| O4 | C21 | C22 | H24 | 119.9° | 120.0° |
| O4 | C21 | C22 | H25 | 119.9° | 120.0° |
| O4 | C21 | C22 | C23 | 157.5° | 175.0° |
| O4 | C21 | C22 | C24 | 90.0° | 116.4° |
| O4 | C21 | H24 | H25 | 120.3° | 120.0° |
| O4 | C21 | C22 | H26 | 62.5° | 29.3° |
| C21 | C22 | C24 | C23 | 102.0° | 107.5° |
| C21 | C22 | C23 | H26 | 140.1° | 145.0° |
| C21 | C22 | C24 | H26 | 152.6° | 145.1° |
| C22 | C21 | H24 | H25 | 120.3° | 120.1° |
| C21 | C22 | C23 | H27 | 4.4° | 145.1° |
| C21 | C22 | C23 | H28 | 136.7° | 0.0° |
| C21 | C22 | C24 | H30 | 148.2° | 0.0° |
| C21 | C22 | C24 | H29 | 7.9° | 145.0° |
| C24 | C23 | C22 | H27 | 109.4° | 107.5° |
| C24 | C23 | C22 | H28 | 109.5° | 107.5° |
| C23 | C24 | C22 | H30 | 109.8° | 107.5° |
| C23 | C24 | C22 | H29 | 109.9° | 107.5° |
| C24 | C23 | C22 | H26 | 106.1° | 107.5° |
| C24 | C23 | H27 | H28 | 144.7° | 145.7° |
| C23 | C24 | H30 | H29 | 143.9° | 145.7° |
| C23 | C22 | C21 | H24 | 82.6° | 55.0° |
| C23 | C22 | C21 | H25 | 37.6° | 65.0° |
| C22 | C23 | H27 | H28 | 144.8° | 145.7° |
| C24 | C22 | C21 | H24 | 150.1° | 123.6° |
| C24 | C22 | C21 | H25 | 29.9° | 3.6° |
| C22 | C24 | H30 | H29 | 144.0° | 145.6° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H6 | C9 | C10 | H8 | 47.9° | 64.9° |
| H7 | C9 | C10 | H8 | 71.0° | 175.0° |
| H8 | C10 | C11 | H9 | 178.1° | 61.4° |
| H8 | C10 | C11 | H10 | 58.6° | 178.6° |
| H8 | C10 | C14 | H16 | 58.8° | 178.6° |
| H8 | C10 | C14 | H15 | 178.1° | 61.3° |
| H9 | C11 | C12 | H11 | 176.3° | 54.8° |
| H9 | C11 | C12 | H12 | 56.4° | 65.6° |
| H10 | C11 | C12 | H11 | 56.8° | 174.9° |
| H10 | C11 | C12 | H12 | 63.2° | 54.4° |
| H13 | C13 | C14 | H16 | 56.0° | 174.8° |
| H13 | C13 | C14 | H15 | 175.3° | 54.8° |
| H14 | C13 | C14 | H16 | 64.1° | 54.5° |
| H14 | C13 | C14 | H15 | 55.2° | 65.6° |
| H19 | C15 | H17 | H18 | 120.0° | 120.0° |
| H20 | C17 | C18 | H21 | 3.2° | 0.1° |
| H21 | C18 | C19 | H22 | 6.8° | 0.0° |
| H22 | C19 | C20 | H23 | 5.4° | 0.0° |
| H24 | C21 | C22 | H26 | 57.4° | 90.7° |
| H25 | C21 | C22 | H26 | 177.6° | 149.4° |
| H26 | C22 | C23 | H27 | 144.5° | 0.1° |
| H26 | C22 | C23 | H28 | 3.4° | 145.0° |
| H26 | C22 | C24 | H30 | 4.4° | 145.0° |
| H26 | C22 | C24 | H29 | 144.7° | 0.1° |
| H27 | C23 | C24 | H30 | 140.6° | 145.1° |
| H27 | C23 | C24 | H29 | 0.4° | 0.0° |
| H28 | C23 | C24 | H30 | 0.4° | 0.0° |
| H28 | C23 | C24 | H29 | 140.6° | 145.0° |
