SMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7M | O7 | sing | 1.43Å | 1.44Å | |
| O7 | C7 | sing | 1.36Å | 1.40Å | |
| O8 | C8 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.39Å | 1.47Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C8A | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C8A | O1 | sing | 1.35Å | 1.38Å | |
| C8A | C4A | doub | 1.41Å | 1.42Å | Aromatic |
| O1 | C2 | sing | 1.34Å | 1.39Å | |
| C22 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | C2 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C5 | C4A | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.37Å | |
| C4A | C4 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.34Å | 1.37Å | |
| C5M | O5 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.42Å | 1.49Å | |
| C3 | C3M | sing | 1.51Å | 1.48Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C24 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | O12 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| O12 | C23 | sing | 1.43Å | 1.43Å | |
| O14 | C25 | sing | 1.43Å | 1.41Å | |
| O14 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.51Å | 1.47Å | |
| C15 | C16 | doub | 1.33Å | 1.33Å | |
| C16 | C17 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | doub | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | doub | 1.33Å | 1.34Å | |
| C20 | C21 | sing | 1.51Å | 1.47Å | |
| C19 | C26 | sing | 1.51Å | 1.49Å | |
| C3M | H1 | sing | 1.09Å | 1.10Å | |
| C3M | H2 | sing | 1.09Å | 1.10Å | |
| C3M | H3 | sing | 1.09Å | 1.10Å | |
| C5M | H4 | sing | 1.09Å | 1.10Å | |
| C5M | H5 | sing | 1.09Å | 1.10Å | |
| C5M | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7M | H8 | sing | 1.09Å | 1.10Å | |
| C7M | H9 | sing | 1.09Å | 1.10Å | |
| C7M | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7M | O7 | C7 | 116.5° | 117.0° |
| O7 | C7M | H8 | 109.5° | 109.5° |
| O7 | C7M | H9 | 109.4° | 109.4° |
| O7 | C7M | H10 | 109.4° | 109.5° |
| O7 | C7 | C8 | 117.3° | 119.7° |
| O7 | C7 | C6 | 123.0° | 119.7° |
| O8 | C8 | C7 | 119.4° | 120.0° |
| O8 | C8 | C8A | 122.4° | 120.1° |
| C8 | O8 | H44 | 109.5° | 114.1° |
| C8 | C7 | C6 | 119.6° | 120.6° |
| C7 | C8 | C8A | 118.2° | 119.9° |
| C7 | C6 | C5 | 120.3° | 120.2° |
| C7 | C6 | H7 | 119.8° | 119.9° |
| C8 | C8A | O1 | 114.9° | 121.0° |
| C8 | C8A | C4A | 123.0° | 119.4° |
| C6 | C5 | C4A | 121.2° | 119.5° |
| C6 | C5 | O5 | 123.7° | 120.2° |
| C5 | C6 | H7 | 119.8° | 119.9° |
| O1 | C8A | C4A | 122.1° | 119.6° |
| C8A | O1 | C2 | 120.0° | 122.4° |
| C8A | C4A | C5 | 117.6° | 120.3° |
| C8A | C4A | C4 | 119.3° | 118.3° |
| O1 | C2 | C9 | 108.6° | 118.6° |
| O1 | C2 | C3 | 122.5° | 122.9° |
| C22 | C11 | C10 | 110.4° | 109.4° |
| C22 | C11 | C12 | 109.6° | 109.5° |
| C22 | C11 | H15 | 109.8° | 109.5° |
| C11 | C22 | H29 | 109.5° | 109.5° |
| C11 | C22 | H30 | 109.5° | 109.5° |
| C11 | C22 | H31 | 109.4° | 109.5° |
| C2 | C9 | C10 | 117.4° | 109.5° |
| C9 | C2 | C3 | 128.9° | 118.6° |
| C2 | C9 | H11 | 106.9° | 109.4° |
| C2 | C9 | H12 | 106.9° | 109.4° |
| C9 | C10 | C11 | 110.3° | 109.5° |
| C10 | C9 | H11 | 106.9° | 109.5° |
| C10 | C9 | H12 | 106.9° | 109.5° |
| C9 | C10 | H13 | 109.2° | 109.5° |
| C9 | C10 | H14 | 109.2° | 109.5° |
| C4A | C5 | O5 | 115.2° | 120.3° |
| C5 | C4A | C4 | 123.1° | 121.4° |
| C5 | O5 | C5M | 117.8° | 117.0° |
| C4A | C4 | C3 | 115.4° | 117.3° |
| C4A | C4 | O4 | 123.1° | 121.4° |
| C2 | C3 | C4 | 120.8° | 119.6° |
| C2 | C3 | C3M | 122.7° | 120.2° |
| O5 | C5M | H4 | 109.5° | 109.5° |
| O5 | C5M | H5 | 109.4° | 109.5° |
| O5 | C5M | H6 | 109.4° | 109.4° |
| C4 | C3 | C3M | 116.5° | 120.2° |
| C3 | C4 | O4 | 121.5° | 121.4° |
| C3 | C3M | H1 | 109.5° | 109.4° |
| C3 | C3M | H2 | 109.5° | 109.5° |
| C3 | C3M | H3 | 109.5° | 109.4° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.4° |
| C11 | C10 | H14 | 109.2° | 109.5° |
| C10 | C11 | H15 | 106.8° | 109.5° |
| C11 | C12 | C13 | 113.0° | 109.5° |
| C11 | C12 | O12 | 109.0° | 109.5° |
| C12 | C11 | H15 | 107.7° | 109.5° |
| C11 | C12 | H16 | 107.0° | 109.5° |
| C24 | C13 | C12 | 110.4° | 109.5° |
| C24 | C13 | C14 | 110.9° | 109.5° |
| C24 | C13 | H17 | 108.7° | 109.5° |
| C13 | C24 | H35 | 109.5° | 109.5° |
| C13 | C24 | H36 | 109.5° | 109.5° |
| C13 | C24 | H37 | 109.4° | 109.5° |
| C13 | C12 | O12 | 108.3° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.4° |
| C13 | C12 | H16 | 107.7° | 109.4° |
| C12 | C13 | H17 | 107.7° | 109.5° |
| C12 | O12 | C23 | 115.8° | 114.0° |
| O12 | C12 | H16 | 111.8° | 109.5° |
| C13 | C14 | O14 | 108.3° | 109.4° |
| C13 | C14 | C15 | 109.4° | 109.4° |
| C14 | C13 | H17 | 107.1° | 109.5° |
| C13 | C14 | H18 | 110.7° | 109.5° |
| O12 | C23 | H32 | 109.5° | 109.5° |
| O12 | C23 | H33 | 109.4° | 109.5° |
| O12 | C23 | H34 | 109.5° | 109.5° |
| C25 | O14 | C14 | 113.2° | 114.0° |
| O14 | C25 | H38 | 109.5° | 109.4° |
| O14 | C25 | H39 | 109.5° | 109.5° |
| O14 | C25 | H40 | 109.4° | 109.5° |
| O14 | C14 | C15 | 110.6° | 109.5° |
| O14 | C14 | H18 | 109.5° | 109.5° |
| C14 | C15 | C16 | 124.5° | 119.9° |
| C15 | C14 | H18 | 108.3° | 109.5° |
| C14 | C15 | H19 | 117.7° | 120.0° |
| C15 | C16 | C17 | 123.6° | 120.0° |
| C16 | C15 | H19 | 117.7° | 120.0° |
| C15 | C16 | H21 | 118.2° | 120.0° |
| C16 | C17 | C18 | 122.0° | 120.0° |
| C17 | C16 | H21 | 118.3° | 120.0° |
| C16 | C17 | H22 | 119.0° | 120.0° |
| C17 | C18 | C19 | 125.3° | 120.0° |
| C18 | C17 | H22 | 119.0° | 120.0° |
| C17 | C18 | H23 | 117.4° | 120.0° |
| C18 | C19 | C20 | 118.9° | 120.0° |
| C18 | C19 | C26 | 117.6° | 120.0° |
| C19 | C18 | H23 | 117.3° | 120.0° |
| C19 | C20 | C21 | 125.8° | 120.0° |
| C20 | C19 | C26 | 123.5° | 120.0° |
| C19 | C20 | H25 | 117.1° | 120.0° |
| C21 | C20 | H25 | 117.1° | 120.0° |
| C20 | C21 | H26 | 109.5° | 109.4° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C19 | C26 | H41 | 109.5° | 109.5° |
| C19 | C26 | H42 | 109.4° | 109.5° |
| C19 | C26 | H43 | 109.4° | 109.5° |
| H1 | C3M | H2 | 109.5° | 109.5° |
| H1 | C3M | H3 | 109.4° | 109.5° |
| H2 | C3M | H3 | 109.5° | 109.5° |
| H4 | C5M | H5 | 109.5° | 109.5° |
| H4 | C5M | H6 | 109.5° | 109.5° |
| H5 | C5M | H6 | 109.5° | 109.5° |
| H8 | C7M | H9 | 109.4° | 109.5° |
| H8 | C7M | H10 | 109.5° | 109.5° |
| H9 | C7M | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 111.9° | 109.4° |
| H13 | C10 | H14 | 109.8° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H26 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.4° | 109.4° |
| H29 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H34 | 109.4° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.6° |
| H35 | C24 | H37 | 109.5° | 109.4° |
| H36 | C24 | H37 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H38 | C25 | H40 | 109.5° | 109.5° |
| H39 | C25 | H40 | 109.5° | 109.5° |
| H41 | C26 | H42 | 109.5° | 109.5° |
| H41 | C26 | H43 | 109.5° | 109.4° |
| H42 | C26 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7M | O7 | C7 | C8 | 105.3° | 179.9° |
| C7M | O7 | C7 | C6 | 74.6° | 0.0° |
| O7 | C7M | H8 | H9 | 120.0° | 120.0° |
| O7 | C7M | H8 | H10 | 120.0° | 120.0° |
| O7 | C7M | H9 | H10 | 120.0° | 120.0° |
| O7 | C7 | C8 | O8 | 0.1° | 0.1° |
| O7 | C7 | C8 | C6 | 179.9° | 179.9° |
| O7 | C7 | C8 | C8A | 179.8° | 180.0° |
| O7 | C7 | C6 | C5 | 179.7° | 180.0° |
| O7 | C7 | C6 | H7 | 0.3° | 0.1° |
| C7 | O7 | C7M | H8 | 180.0° | 60.0° |
| C7 | O7 | C7M | H9 | 60.0° | 60.0° |
| C7 | O7 | C7M | H10 | 60.0° | 180.0° |
| O8 | C8 | C7 | C8A | 179.9° | 179.9° |
| O8 | C8 | C7 | C6 | 180.0° | 180.0° |
| O8 | C8 | C8A | O1 | 0.8° | 0.3° |
| O8 | C8 | C8A | C4A | 179.1° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C7 | C8 | C8A | O1 | 179.1° | 179.8° |
| C7 | C8 | C8A | C4A | 1.0° | 0.0° |
| C8 | C7 | C6 | H7 | 179.6° | 180.0° |
| C7 | C8 | O8 | H44 | 180.0° | 90.0° |
| C6 | C7 | C8 | C8A | 0.1° | 0.1° |
| C7 | C6 | C5 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4A | 0.0° | 0.0° |
| C7 | C6 | C5 | O5 | 179.7° | 180.0° |
| C8 | C8A | O1 | C4A | 179.9° | 179.8° |
| C8 | C8A | O1 | C2 | 179.9° | 179.6° |
| C8 | C8A | C4A | C5 | 1.3° | 0.1° |
| C8 | C8A | C4A | C4 | 179.1° | 180.0° |
| C8A | C8 | O8 | H44 | 0.1° | 89.9° |
| C6 | C5 | C4A | C8A | 0.8° | 0.1° |
| C6 | C5 | C4A | O5 | 179.8° | 180.0° |
| C6 | C5 | C4A | C4 | 179.7° | 180.0° |
| C6 | C5 | O5 | C5M | 0.4° | 0.0° |
| C8A | O1 | C2 | C9 | 178.3° | 179.8° |
| O1 | C8A | C4A | C5 | 178.8° | 179.7° |
| O1 | C8A | C4A | C4 | 0.8° | 0.2° |
| C8A | O1 | C2 | C3 | 0.9° | 0.6° |
| C4A | C8A | O1 | C2 | 0.0° | 0.5° |
| C8A | C4A | C5 | C4 | 179.5° | 179.9° |
| C8A | C4A | C5 | O5 | 179.0° | 180.0° |
| C8A | C4A | C4 | C3 | 0.7° | 0.1° |
| C8A | C4A | C4 | O4 | 179.4° | 179.9° |
| O1 | C2 | C9 | C3 | 179.2° | 179.6° |
| O1 | C2 | C9 | C10 | 106.1° | 84.7° |
| O1 | C2 | C3 | C4 | 0.9° | 0.3° |
| O1 | C2 | C3 | C3M | 179.7° | 179.7° |
| O1 | C2 | C9 | H11 | 133.9° | 35.4° |
| O1 | C2 | C9 | H12 | 13.9° | 155.3° |
| C22 | C11 | C10 | C9 | 57.3° | 65.0° |
| C22 | C11 | C10 | C12 | 122.8° | 120.0° |
| C22 | C11 | C10 | H15 | 119.3° | 120.0° |
| C22 | C11 | C12 | H15 | 119.4° | 120.0° |
| C22 | C11 | C12 | C13 | 165.3° | 63.0° |
| C22 | C11 | C12 | O12 | 74.3° | 177.0° |
| C22 | C11 | C10 | H13 | 177.3° | 175.0° |
| C22 | C11 | C10 | H14 | 62.7° | 55.1° |
| C22 | C11 | C12 | H16 | 46.8° | 57.0° |
| C11 | C22 | H29 | H30 | 120.0° | 120.0° |
| C11 | C22 | H29 | H31 | 120.0° | 120.0° |
| C11 | C22 | H30 | H31 | 120.0° | 120.0° |
| C2 | C9 | C10 | H11 | 120.0° | 120.0° |
| C2 | C9 | C10 | H12 | 120.0° | 120.0° |
| C9 | C2 | C3 | C4 | 178.1° | 179.9° |
| C9 | C2 | C3 | C3M | 1.3° | 0.1° |
| C2 | C9 | C10 | C11 | 161.5° | 180.0° |
| C2 | C9 | H11 | H12 | 116.7° | 119.9° |
| C2 | C9 | C10 | H13 | 41.5° | 60.0° |
| C2 | C9 | C10 | H14 | 78.5° | 60.0° |
| C10 | C9 | C2 | C3 | 74.7° | 95.0° |
| C9 | C10 | C11 | H13 | 120.0° | 119.9° |
| C9 | C10 | C11 | H14 | 120.0° | 120.1° |
| C9 | C10 | C11 | C12 | 179.9° | 175.0° |
| C10 | C9 | H11 | H12 | 116.7° | 120.1° |
| C9 | C10 | H13 | H14 | 119.6° | 120.1° |
| C9 | C10 | C11 | H15 | 62.0° | 55.0° |
| C4A | C5 | O5 | C5M | 179.3° | 180.0° |
| C5 | C4A | C4 | C3 | 178.8° | 180.0° |
| C5 | C4A | C4 | O4 | 1.0° | 0.0° |
| C4A | C5 | C6 | H7 | 180.0° | 180.0° |
| O5 | C5 | C4A | C4 | 0.6° | 0.0° |
| C5 | O5 | C5M | H4 | 180.0° | 180.0° |
| C5 | O5 | C5M | H5 | 60.0° | 60.0° |
| C5 | O5 | C5M | H6 | 60.0° | 60.0° |
| O5 | C5 | C6 | H7 | 0.2° | 0.0° |
| C4A | C4 | C3 | C2 | 0.1° | 0.0° |
| C4A | C4 | C3 | O4 | 179.9° | 180.0° |
| C4A | C4 | C3 | C3M | 179.5° | 180.0° |
| C2 | C3 | C4 | C3M | 179.4° | 180.0° |
| C2 | C3 | C4 | O4 | 179.7° | 180.0° |
| C2 | C3 | C3M | H1 | 180.0° | 90.0° |
| C2 | C3 | C3M | H2 | 60.0° | 150.0° |
| C2 | C3 | C3M | H3 | 60.0° | 30.0° |
| C3 | C2 | C9 | H11 | 45.3° | 145.0° |
| C3 | C2 | C9 | H12 | 165.3° | 25.1° |
| O5 | C5M | H4 | H5 | 120.0° | 120.0° |
| O5 | C5M | H4 | H6 | 120.0° | 120.0° |
| O5 | C5M | H5 | H6 | 120.0° | 120.0° |
| C4 | C3 | C3M | H1 | 0.6° | 90.0° |
| C4 | C3 | C3M | H2 | 119.4° | 30.0° |
| C4 | C3 | C3M | H3 | 120.6° | 150.0° |
| C3M | C3 | C4 | O4 | 0.3° | 0.0° |
| C3 | C3M | H1 | H2 | 120.0° | 120.0° |
| C3 | C3M | H1 | H3 | 120.0° | 119.9° |
| C3 | C3M | H2 | H3 | 120.0° | 120.0° |
| C10 | C11 | C12 | H15 | 117.4° | 120.0° |
| C10 | C11 | C12 | C13 | 71.5° | 177.1° |
| C10 | C11 | C12 | O12 | 48.9° | 57.1° |
| C11 | C10 | C9 | H11 | 78.5° | 60.0° |
| C11 | C10 | C9 | H12 | 41.5° | 60.0° |
| C11 | C10 | H13 | H14 | 119.7° | 120.0° |
| C10 | C11 | C12 | H16 | 170.1° | 62.9° |
| C10 | C11 | C22 | H29 | 180.0° | 58.5° |
| C10 | C11 | C22 | H30 | 60.0° | 61.5° |
| C10 | C11 | C22 | H31 | 60.0° | 178.5° |
| C11 | C12 | C13 | C24 | 61.1° | 175.3° |
| C11 | C12 | C13 | O12 | 120.9° | 120.0° |
| C11 | C12 | C13 | H16 | 118.0° | 120.0° |
| C11 | C12 | O12 | H16 | 118.1° | 120.0° |
| C11 | C12 | C13 | C14 | 174.8° | 64.7° |
| C11 | C12 | O12 | C23 | 110.4° | 132.6° |
| C12 | C11 | C10 | H13 | 59.9° | 55.0° |
| C12 | C11 | C10 | H14 | 60.1° | 64.9° |
| C11 | C12 | C13 | H17 | 57.4° | 55.3° |
| C12 | C11 | C22 | H29 | 55.6° | 61.5° |
| C12 | C11 | C22 | H30 | 64.4° | 178.5° |
| C12 | C11 | C22 | H31 | 175.6° | 58.5° |
| C24 | C13 | C12 | C14 | 124.0° | 120.0° |
| C24 | C13 | C12 | H17 | 118.5° | 120.0° |
| C24 | C13 | C12 | O12 | 178.0° | 64.7° |
| C24 | C13 | C14 | H17 | 118.5° | 120.1° |
| C24 | C13 | C14 | O14 | 21.5° | 53.4° |
| C24 | C13 | C14 | C15 | 99.2° | 66.5° |
| C24 | C13 | C12 | H16 | 56.9° | 55.3° |
| C24 | C13 | C14 | H18 | 141.5° | 173.4° |
| C13 | C24 | H35 | H36 | 120.0° | 120.1° |
| C13 | C24 | H35 | H37 | 120.0° | 119.9° |
| C13 | C24 | H36 | H37 | 120.0° | 120.0° |
| C13 | C12 | O12 | H16 | 118.6° | 120.0° |
| C12 | C13 | C14 | H17 | 117.8° | 120.0° |
| C13 | C12 | O12 | C23 | 126.2° | 107.4° |
| C12 | C13 | C14 | O14 | 102.2° | 66.6° |
| C12 | C13 | C14 | C15 | 137.1° | 173.5° |
| C13 | C12 | C11 | H15 | 45.9° | 57.0° |
| C12 | C13 | C14 | H18 | 17.8° | 53.4° |
| C12 | C13 | C24 | H35 | 180.0° | 61.4° |
| C12 | C13 | C24 | H36 | 60.0° | 58.7° |
| C12 | C13 | C24 | H37 | 60.0° | 178.7° |
| O12 | C12 | C13 | C14 | 54.0° | 55.3° |
| O12 | C12 | C11 | H15 | 166.3° | 63.0° |
| O12 | C12 | C13 | H17 | 63.5° | 175.3° |
| C12 | O12 | C23 | H32 | 180.0° | 175.8° |
| C12 | O12 | C23 | H33 | 60.0° | 55.8° |
| C12 | O12 | C23 | H34 | 60.0° | 64.2° |
| C13 | C14 | O14 | C25 | 111.9° | 120.0° |
| C13 | C14 | O14 | C15 | 119.9° | 119.9° |
| C13 | C14 | O14 | H18 | 120.8° | 120.0° |
| C13 | C14 | C15 | H18 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 150.6° | 120.0° |
| C14 | C13 | C12 | H16 | 67.1° | 175.3° |
| C13 | C14 | C15 | H19 | 29.5° | 60.0° |
| C14 | C13 | C24 | H35 | 55.4° | 58.5° |
| C14 | C13 | C24 | H36 | 64.6° | 178.7° |
| C14 | C13 | C24 | H37 | 175.4° | 61.4° |
| C23 | O12 | C12 | H16 | 7.7° | 12.6° |
| O12 | C23 | H32 | H33 | 120.0° | 120.0° |
| O12 | C23 | H32 | H34 | 120.0° | 120.0° |
| O12 | C23 | H33 | H34 | 120.0° | 120.0° |
| C25 | O14 | C14 | C15 | 128.2° | 120.0° |
| C25 | O14 | C14 | H18 | 8.9° | 0.1° |
| O14 | C25 | H38 | H39 | 120.0° | 120.0° |
| O14 | C25 | H38 | H40 | 120.0° | 120.0° |
| O14 | C25 | H39 | H40 | 120.0° | 120.0° |
| O14 | C14 | C15 | H18 | 120.0° | 120.0° |
| O14 | C14 | C15 | C16 | 31.3° | 120.0° |
| O14 | C14 | C13 | H17 | 140.0° | 173.5° |
| O14 | C14 | C15 | H19 | 148.7° | 60.0° |
| C14 | O14 | C25 | H38 | 180.0° | 57.6° |
| C14 | O14 | C25 | H39 | 60.0° | 62.4° |
| C14 | O14 | C25 | H40 | 60.0° | 177.6° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 119.5° | 180.0° |
| C15 | C14 | C13 | H17 | 19.3° | 53.5° |
| C14 | C15 | C16 | H21 | 60.5° | 0.0° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C15 | C14 | H18 | 88.7° | 0.0° |
| C15 | C16 | C17 | H22 | 0.2° | 0.1° |
| C16 | C17 | C18 | H22 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 160.5° | 180.0° |
| C17 | C16 | C15 | H19 | 60.5° | 0.0° |
| C16 | C17 | C18 | H23 | 19.5° | 0.0° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 103.9° | 180.0° |
| C17 | C18 | C19 | C26 | 76.2° | 0.1° |
| C18 | C17 | C16 | H21 | 0.2° | 0.0° |
| C18 | C19 | C20 | C26 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H22 | 19.5° | 0.1° |
| C18 | C19 | C20 | H25 | 0.0° | 0.0° |
| C18 | C19 | C26 | H41 | 180.0° | 89.9° |
| C18 | C19 | C26 | H42 | 60.0° | 150.0° |
| C18 | C19 | C26 | H43 | 60.0° | 30.0° |
| C19 | C20 | C21 | H25 | 180.0° | 179.9° |
| C20 | C19 | C18 | H23 | 76.1° | 0.0° |
| C19 | C20 | C21 | H26 | 180.0° | 180.0° |
| C19 | C20 | C21 | H27 | 60.0° | 60.0° |
| C19 | C20 | C21 | H28 | 60.0° | 60.0° |
| C20 | C19 | C26 | H41 | 0.1° | 90.0° |
| C20 | C19 | C26 | H42 | 120.2° | 30.0° |
| C20 | C19 | C26 | H43 | 119.9° | 150.0° |
| C21 | C20 | C19 | C26 | 0.1° | 0.0° |
| C20 | C21 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | H26 | H28 | 120.0° | 120.0° |
| C20 | C21 | H27 | H28 | 120.0° | 120.0° |
| C26 | C19 | C18 | H23 | 103.8° | 180.0° |
| C26 | C19 | C20 | H25 | 179.9° | 179.9° |
| C19 | C26 | H41 | H42 | 120.0° | 120.1° |
| C19 | C26 | H41 | H43 | 120.0° | 120.0° |
| C19 | C26 | H42 | H43 | 119.9° | 120.0° |
| H1 | C3M | H2 | H3 | 120.0° | 120.0° |
| H4 | C5M | H5 | H6 | 120.0° | 120.0° |
| H8 | C7M | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | C10 | H13 | 161.5° | 180.0° |
| H11 | C9 | C10 | H14 | 41.5° | 60.0° |
| H12 | C9 | C10 | H13 | 78.5° | 60.0° |
| H12 | C9 | C10 | H14 | 161.5° | NaN° |
| H13 | C10 | C11 | H15 | 58.0° | 65.0° |
| H14 | C10 | C11 | H15 | 178.0° | 175.0° |
| H15 | C11 | C12 | H16 | 72.6° | 177.0° |
| H15 | C11 | C22 | H29 | 62.5° | 178.5° |
| H15 | C11 | C22 | H30 | 177.5° | 58.5° |
| H15 | C11 | C22 | H31 | 57.5° | 61.5° |
| H16 | C12 | C13 | H17 | 175.4° | 64.7° |
| H17 | C13 | C14 | H18 | 100.0° | 66.5° |
| H17 | C13 | C24 | H35 | 62.1° | 178.6° |
| H17 | C13 | C24 | H36 | 177.9° | 61.3° |
| H17 | C13 | C24 | H37 | 57.9° | 58.7° |
| H18 | C14 | C15 | H19 | 91.3° | 180.0° |
| H19 | C15 | C16 | H21 | 119.5° | 180.0° |
| H21 | C16 | C17 | H22 | 179.8° | 180.0° |
| H22 | C17 | C18 | H23 | 160.5° | 179.9° |
| H25 | C20 | C21 | H26 | 0.0° | 0.1° |
| H25 | C20 | C21 | H27 | 120.0° | 120.0° |
| H25 | C20 | C21 | H28 | 120.0° | 119.9° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
| H32 | C23 | H33 | H34 | 120.0° | 120.0° |
| H35 | C24 | H36 | H37 | 120.0° | 119.9° |
| H38 | C25 | H39 | H40 | 120.0° | 120.0° |
| H41 | C26 | H42 | H43 | 120.0° | 119.9° |
