7SM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C12 | doub | 1.25Å | 1.25Å | |
| C12 | O2 | sing | 1.25Å | 1.25Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C13 | sing | 1.52Å | 1.52Å | |
| C23 | C13 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.52Å | 1.52Å | |
| C13 | N | sing | 1.48Å | 1.48Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.52Å | 1.52Å | |
| C7 | O | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C | O | sing | 1.36Å | 1.36Å | |
| C | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| N | C6 | sing | 1.45Å | 1.45Å | |
| N | C14 | sing | 1.30Å | 1.30Å | |
| O3 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.49Å | 1.49Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | O4 | sing | 1.37Å | 1.37Å | |
| O4 | C29 | sing | 1.42Å | 1.42Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H4 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H6 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C8 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | H12 | sing | 1.10Å | 1.10Å | |
| C10 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C22 | H21 | sing | 1.10Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | H32 | sing | 0.95Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.10Å | 1.10Å | |
| C9 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | H14 | sing | 1.10Å | 1.10Å | |
| C11 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C23 | H24 | sing | 1.10Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.10Å | 1.10Å | |
| C29 | H30 | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C12 | O2 | 123.5° | 123.5° |
| O1 | C12 | C11 | 117.5° | 117.5° |
| O2 | C12 | C11 | 119.0° | 119.0° |
| C12 | O2 | H32 | 109.5° | 109.5° |
| C12 | C11 | C10 | 112.2° | 112.2° |
| C12 | C11 | H14 | 108.8° | 108.8° |
| C12 | C11 | H15 | 108.8° | 108.8° |
| C23 | C22 | C13 | 60.1° | 60.1° |
| C22 | C23 | C13 | 59.8° | 59.8° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C23 | C22 | H21 | 120.0° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C22 | C23 | H24 | 120.0° | 120.1° |
| C22 | C13 | C23 | 60.1° | 60.1° |
| C22 | C13 | N | 119.0° | 119.0° |
| C22 | C13 | H16 | 116.7° | 116.7° |
| C13 | C22 | H22 | 120.0° | 120.0° |
| C13 | C22 | H21 | 120.0° | 120.0° |
| C23 | C13 | N | 114.1° | 114.1° |
| C23 | C13 | H16 | 116.6° | 116.6° |
| C13 | C23 | H23 | 120.0° | 120.0° |
| C13 | C23 | H24 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.4° | 119.4° |
| C2 | C1 | C | 120.4° | 120.4° |
| C2 | C1 | H | 119.8° | 119.8° |
| C1 | C2 | H1 | 120.3° | 120.3° |
| C2 | C3 | C4 | 119.9° | 119.9° |
| C3 | C2 | H1 | 120.3° | 120.3° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C | O | 122.0° | 122.0° |
| C1 | C | C5 | 120.6° | 120.6° |
| C | C1 | H | 119.8° | 119.8° |
| C11 | C10 | C9 | 113.1° | 113.1° |
| C11 | C10 | H12 | 108.5° | 108.5° |
| C11 | C10 | H13 | 108.6° | 108.6° |
| C10 | C11 | H14 | 108.8° | 108.8° |
| C10 | C11 | H15 | 108.8° | 108.8° |
| C13 | N | C6 | 118.4° | 118.4° |
| C13 | N | C14 | 115.3° | 115.3° |
| N | C13 | H16 | 117.5° | 117.5° |
| C3 | C4 | C5 | 120.8° | 120.8° |
| C3 | C4 | H3 | 119.6° | 119.6° |
| C4 | C3 | H2 | 120.1° | 120.1° |
| C10 | C9 | C8 | 108.1° | 108.1° |
| C9 | C10 | H12 | 108.6° | 108.6° |
| C9 | C10 | H13 | 108.5° | 108.5° |
| C10 | C9 | H11 | 109.8° | 109.8° |
| C10 | C9 | H10 | 109.8° | 109.8° |
| C9 | C8 | C7 | 109.6° | 109.6° |
| C9 | C8 | H8 | 109.4° | 109.4° |
| C9 | C8 | H9 | 109.4° | 109.4° |
| C8 | C9 | H11 | 109.8° | 109.8° |
| C8 | C9 | H10 | 109.8° | 109.8° |
| O | C7 | C8 | 108.5° | 108.5° |
| C7 | O | C | 119.4° | 119.4° |
| O | C7 | H7 | 109.7° | 109.7° |
| O | C7 | H6 | 109.7° | 109.7° |
| C8 | C7 | H7 | 109.7° | 109.7° |
| C8 | C7 | H6 | 109.7° | 109.7° |
| C7 | C8 | H8 | 109.4° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| O | C | C5 | 117.4° | 117.4° |
| C | C5 | C4 | 118.9° | 118.9° |
| C | C5 | C6 | 119.0° | 119.0° |
| C4 | C5 | C6 | 122.1° | 122.1° |
| C5 | C4 | H3 | 119.6° | 119.6° |
| C5 | C6 | N | 111.7° | 111.7° |
| C5 | C6 | H5 | 108.9° | 108.9° |
| C5 | C6 | H4 | 108.9° | 108.9° |
| C6 | N | C14 | 126.1° | 126.1° |
| N | C6 | H5 | 108.9° | 108.9° |
| N | C6 | H4 | 108.9° | 108.9° |
| N | C14 | O3 | 120.9° | 120.9° |
| N | C14 | C15 | 125.1° | 125.1° |
| O3 | C14 | C15 | 113.9° | 113.9° |
| C14 | C15 | C16 | 119.3° | 119.3° |
| C14 | C15 | C17 | 119.5° | 119.5° |
| C16 | C15 | C17 | 121.1° | 121.1° |
| C15 | C16 | C20 | 119.2° | 119.2° |
| C15 | C16 | H17 | 120.4° | 120.4° |
| C15 | C17 | C18 | 120.0° | 120.0° |
| C15 | C17 | H18 | 120.0° | 120.0° |
| C16 | C20 | C19 | 121.0° | 121.0° |
| C16 | C20 | H20 | 119.5° | 119.5° |
| C20 | C16 | H17 | 120.4° | 120.4° |
| C17 | C18 | C19 | 119.6° | 119.6° |
| C18 | C17 | H18 | 120.0° | 120.0° |
| C17 | C18 | H19 | 120.2° | 120.2° |
| C20 | C19 | C18 | 118.9° | 118.9° |
| C20 | C19 | C21 | 120.4° | 120.4° |
| C19 | C20 | H20 | 119.5° | 119.5° |
| C18 | C19 | C21 | 120.6° | 120.6° |
| C19 | C18 | H19 | 120.2° | 120.2° |
| C19 | C21 | C25 | 121.4° | 121.4° |
| C19 | C21 | C24 | 119.2° | 119.2° |
| C25 | C21 | C24 | 119.1° | 119.1° |
| C21 | C25 | C26 | 121.0° | 121.0° |
| C21 | C25 | H26 | 119.5° | 119.5° |
| C21 | C24 | C28 | 120.0° | 120.0° |
| C21 | C24 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 119.7° | 119.7° |
| C25 | C26 | H27 | 120.2° | 120.2° |
| C26 | C25 | H26 | 119.5° | 119.5° |
| C24 | C28 | C27 | 120.2° | 120.2° |
| C24 | C28 | O4 | 117.5° | 117.5° |
| C28 | C24 | H25 | 120.0° | 120.1° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H27 | 120.2° | 120.2° |
| C26 | C27 | H28 | 120.0° | 120.0° |
| C27 | C28 | O4 | 122.3° | 122.3° |
| C28 | C27 | H28 | 120.0° | 120.0° |
| C28 | O4 | C29 | 122.3° | 122.3° |
| O4 | C29 | H31 | 109.5° | 109.5° |
| O4 | C29 | H30 | 109.5° | 109.5° |
| O4 | C29 | H29 | 109.5° | 109.5° |
| H5 | C6 | H4 | 109.5° | 109.5° |
| H7 | C7 | H6 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H22 | C22 | H21 | 109.5° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H31 | C29 | H30 | 109.5° | 109.5° |
| H31 | C29 | H29 | 109.4° | 109.4° |
| H30 | C29 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C12 | O2 | C11 | 179.8° | 179.8° |
| O1 | C12 | C11 | C10 | 92.5° | 92.5° |
| O1 | C12 | O2 | H32 | 0.0° | 0.0° |
| O1 | C12 | C11 | H14 | 27.9° | 27.9° |
| O1 | C12 | C11 | H15 | 147.1° | 147.1° |
| O2 | C12 | C11 | C10 | 87.3° | 87.3° |
| O2 | C12 | C11 | H14 | 152.3° | 152.3° |
| O2 | C12 | C11 | H15 | 33.1° | 33.1° |
| C12 | C11 | C10 | H14 | 120.4° | 120.4° |
| C12 | C11 | C10 | H15 | 120.4° | 120.4° |
| C12 | C11 | C10 | C9 | 95.1° | 95.1° |
| C12 | C11 | C10 | H12 | 144.4° | 144.4° |
| C12 | C11 | C10 | H13 | 25.5° | 25.5° |
| C11 | C12 | O2 | H32 | 179.8° | 179.8° |
| C12 | C11 | H14 | H15 | 118.7° | 118.7° |
| C23 | C22 | C13 | H22 | 109.5° | 109.5° |
| C23 | C22 | C13 | H21 | 109.5° | 109.5° |
| C22 | C23 | C13 | H23 | 109.4° | 109.4° |
| C22 | C23 | C13 | H24 | 109.4° | 109.4° |
| C23 | C22 | C13 | N | 102.7° | 102.7° |
| C23 | C22 | C13 | H16 | 106.8° | 106.8° |
| C23 | C22 | H22 | H21 | 144.7° | 144.7° |
| C22 | C23 | H23 | H24 | 144.8° | 144.9° |
| C22 | C13 | N | H16 | 150.3° | 150.3° |
| C22 | C13 | N | C6 | 7.8° | 7.8° |
| C22 | C13 | N | C14 | 175.6° | 175.6° |
| C13 | C22 | H22 | H21 | 144.7° | 144.7° |
| C23 | C13 | N | H16 | 141.8° | 141.8° |
| C23 | C13 | N | C6 | 75.7° | 75.7° |
| C23 | C13 | N | C14 | 107.7° | 107.7° |
| C13 | C23 | H23 | H24 | 144.9° | 144.8° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C | H | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.4° |
| C2 | C1 | C | O | 179.7° | 179.7° |
| C2 | C1 | C | C5 | 0.9° | 0.9° |
| C1 | C2 | C3 | H2 | 179.6° | 179.6° |
| C3 | C2 | C1 | C | 0.1° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | H3 | 179.8° | 179.8° |
| C3 | C2 | C1 | H | 179.9° | 179.9° |
| C1 | C | O | C7 | 4.5° | 4.5° |
| C1 | C | O | C5 | 179.5° | 179.5° |
| C1 | C | C5 | C4 | 1.5° | 1.5° |
| C1 | C | C5 | C6 | 179.6° | 179.6° |
| C | C1 | C2 | H1 | 179.9° | 179.9° |
| C11 | C10 | C9 | H12 | 120.5° | 120.5° |
| C11 | C10 | C9 | H13 | 120.5° | 120.5° |
| C11 | C10 | C9 | C8 | 173.4° | 173.4° |
| C11 | C10 | H12 | H13 | 118.4° | 118.4° |
| C11 | C10 | C9 | H11 | 66.8° | 66.8° |
| C11 | C10 | C9 | H10 | 53.6° | 53.6° |
| C10 | C11 | H14 | H15 | 118.8° | 118.8° |
| C13 | N | C6 | C5 | 76.0° | 76.0° |
| C13 | N | C6 | C14 | 176.2° | 176.2° |
| C13 | N | C14 | O3 | 4.3° | 4.3° |
| C13 | N | C14 | C15 | 176.5° | 176.5° |
| C13 | N | C6 | H5 | 44.3° | 44.3° |
| C13 | N | C6 | H4 | 163.7° | 163.7° |
| N | C13 | C22 | H22 | 6.8° | 6.8° |
| N | C13 | C22 | H21 | 147.8° | 147.9° |
| N | C13 | C23 | H23 | 139.7° | 139.7° |
| N | C13 | C23 | H24 | 1.4° | 1.4° |
| C3 | C4 | C5 | C | 1.2° | 1.2° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.2° | 179.2° |
| C4 | C3 | C2 | H1 | 179.6° | 179.6° |
| C10 | C9 | C8 | H11 | 119.8° | 119.8° |
| C10 | C9 | C8 | H10 | 119.8° | 119.8° |
| C10 | C9 | C8 | C7 | 170.4° | 170.4° |
| C10 | C9 | C8 | H8 | 69.6° | 69.6° |
| C10 | C9 | C8 | H9 | 50.4° | 50.4° |
| C9 | C10 | H12 | H13 | 118.4° | 118.4° |
| C10 | C9 | H11 | H10 | 120.6° | 120.6° |
| C9 | C10 | C11 | H14 | 25.4° | 25.4° |
| C9 | C10 | C11 | H15 | 144.5° | 144.5° |
| C9 | C8 | C7 | O | 64.6° | 64.6° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C7 | H9 | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 55.3° | 55.3° |
| C9 | C8 | C7 | H6 | 175.5° | 175.5° |
| C9 | C8 | H8 | H9 | 119.9° | 119.9° |
| C8 | C9 | C10 | H12 | 52.9° | 52.9° |
| C8 | C9 | C10 | H13 | 66.1° | 66.1° |
| C8 | C9 | H11 | H10 | 120.7° | 120.7° |
| O | C7 | C8 | H7 | 119.9° | 119.9° |
| O | C7 | C8 | H6 | 119.9° | 119.9° |
| C7 | O | C | C5 | 176.0° | 176.0° |
| O | C7 | H7 | H6 | 120.4° | 120.4° |
| O | C7 | C8 | H8 | 55.4° | 55.4° |
| O | C7 | C8 | H9 | 175.4° | 175.4° |
| C8 | C7 | O | C | 170.5° | 170.5° |
| C8 | C7 | H7 | H6 | 120.4° | 120.4° |
| C7 | C8 | H8 | H9 | 119.9° | 119.9° |
| C7 | C8 | C9 | H11 | 50.6° | 50.6° |
| C7 | C8 | C9 | H10 | 69.8° | 69.8° |
| O | C | C5 | C4 | 179.0° | 179.0° |
| O | C | C5 | C6 | 0.9° | 0.9° |
| C | O | C7 | H7 | 69.6° | 69.6° |
| C | O | C7 | H6 | 50.7° | 50.7° |
| O | C | C1 | H | 0.4° | 0.3° |
| C | C5 | C4 | C6 | 178.1° | 178.1° |
| C | C5 | C6 | N | 160.6° | 160.6° |
| C | C5 | C4 | H3 | 178.8° | 178.8° |
| C | C5 | C6 | H5 | 40.3° | 40.3° |
| C | C5 | C6 | H4 | 79.0° | 79.0° |
| C5 | C | C1 | H | 179.1° | 179.1° |
| C4 | C5 | C6 | N | 21.3° | 21.3° |
| C4 | C5 | C6 | H5 | 141.6° | 141.6° |
| C4 | C5 | C6 | H4 | 99.0° | 99.0° |
| C5 | C4 | C3 | H2 | 179.8° | 179.8° |
| C5 | C6 | N | H5 | 120.3° | 120.3° |
| C5 | C6 | N | H4 | 120.3° | 120.3° |
| C5 | C6 | N | C14 | 100.2° | 100.2° |
| C6 | C5 | C4 | H3 | 0.8° | 0.8° |
| C5 | C6 | H5 | H4 | 119.0° | 119.0° |
| C6 | N | C14 | O3 | 172.0° | 172.0° |
| C6 | N | C14 | C15 | 7.2° | 7.2° |
| N | C6 | H5 | H4 | 119.0° | 119.0° |
| C6 | N | C13 | H16 | 142.4° | 142.4° |
| N | C14 | O3 | C15 | 179.3° | 179.3° |
| N | C14 | C15 | C16 | 70.9° | 70.9° |
| N | C14 | C15 | C17 | 113.3° | 113.3° |
| C14 | N | C6 | H5 | 139.5° | 139.5° |
| C14 | N | C6 | H4 | 20.1° | 20.1° |
| C14 | N | C13 | H16 | 34.2° | 34.2° |
| O3 | C14 | C15 | C16 | 108.3° | 108.3° |
| O3 | C14 | C15 | C17 | 67.5° | 67.5° |
| C14 | C15 | C16 | C17 | 175.7° | 175.7° |
| C14 | C15 | C16 | C20 | 177.9° | 177.9° |
| C14 | C15 | C17 | C18 | 178.6° | 178.6° |
| C14 | C15 | C17 | H18 | 1.3° | 1.3° |
| C14 | C15 | C16 | H17 | 2.1° | 2.1° |
| C15 | C16 | C20 | H17 | 180.0° | 180.0° |
| C16 | C15 | C17 | C18 | 2.9° | 2.9° |
| C15 | C16 | C20 | C19 | 0.1° | 0.1° |
| C16 | C15 | C17 | H18 | 177.1° | 177.1° |
| C15 | C16 | C20 | H20 | 180.0° | 180.0° |
| C17 | C15 | C16 | C20 | 2.2° | 2.2° |
| C15 | C17 | C18 | H18 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 1.4° | 1.4° |
| C17 | C15 | C16 | H17 | 177.8° | 177.8° |
| C15 | C17 | C18 | H19 | 178.6° | 178.6° |
| C16 | C20 | C19 | H20 | 180.0° | 180.0° |
| C16 | C20 | C19 | C18 | 1.5° | 1.5° |
| C16 | C20 | C19 | C21 | 177.4° | 177.4° |
| C17 | C18 | C19 | C20 | 0.8° | 0.8° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | C21 | 176.6° | 176.6° |
| C20 | C19 | C18 | C21 | 175.8° | 175.8° |
| C20 | C19 | C21 | C25 | 12.4° | 12.4° |
| C20 | C19 | C21 | C24 | 161.8° | 161.8° |
| C19 | C20 | C16 | H17 | 179.9° | 179.9° |
| C20 | C19 | C18 | H19 | 179.3° | 179.3° |
| C18 | C19 | C21 | C25 | 171.8° | 171.8° |
| C18 | C19 | C21 | C24 | 14.0° | 14.0° |
| C19 | C18 | C17 | H18 | 178.6° | 178.6° |
| C18 | C19 | C20 | H20 | 178.5° | 178.5° |
| C19 | C21 | C25 | C24 | 174.2° | 174.2° |
| C19 | C21 | C25 | C26 | 178.1° | 178.1° |
| C19 | C21 | C24 | C28 | 178.3° | 178.3° |
| C21 | C19 | C20 | H20 | 2.7° | 2.7° |
| C19 | C21 | C24 | H25 | 1.7° | 1.7° |
| C21 | C19 | C18 | H19 | 3.4° | 3.4° |
| C19 | C21 | C25 | H26 | 1.9° | 1.9° |
| C21 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C21 | C24 | C28 | 4.0° | 4.0° |
| C21 | C25 | C26 | C27 | 2.2° | 2.2° |
| C25 | C21 | C24 | H25 | 176.0° | 176.0° |
| C21 | C25 | C26 | H27 | 177.8° | 177.8° |
| C24 | C21 | C25 | C26 | 3.9° | 3.9° |
| C21 | C24 | C28 | H25 | 180.0° | 180.0° |
| C21 | C24 | C28 | C27 | 2.6° | 2.6° |
| C21 | C24 | C28 | O4 | 178.5° | 178.5° |
| C24 | C21 | C25 | H26 | 176.1° | 176.1° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.7° | 0.7° |
| C25 | C26 | C27 | H28 | 179.3° | 179.3° |
| C24 | C28 | C27 | C26 | 0.9° | 0.9° |
| C24 | C28 | C27 | O4 | 178.9° | 178.9° |
| C24 | C28 | O4 | C29 | 178.4° | 178.4° |
| C24 | C28 | C27 | H28 | 179.1° | 179.1° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | O4 | 179.8° | 179.8° |
| C27 | C26 | C25 | H26 | 177.8° | 177.8° |
| C27 | C28 | O4 | C29 | 2.6° | 2.6° |
| C27 | C28 | C24 | H25 | 177.5° | 177.4° |
| C28 | C27 | C26 | H27 | 179.3° | 179.3° |
| O4 | C28 | C24 | H25 | 1.5° | 1.5° |
| O4 | C28 | C27 | H28 | 0.2° | 0.2° |
| C28 | O4 | C29 | H31 | 180.0° | 180.0° |
| C28 | O4 | C29 | H30 | 60.0° | 60.0° |
| C28 | O4 | C29 | H29 | 60.0° | 60.0° |
| O4 | C29 | H31 | H30 | 120.0° | 120.0° |
| O4 | C29 | H31 | H29 | 120.0° | 120.0° |
| O4 | C29 | H30 | H29 | 120.0° | 120.0° |
| H3 | C4 | C3 | H2 | 0.2° | 0.2° |
| H7 | C7 | C8 | H8 | 175.3° | 175.3° |
| H7 | C7 | C8 | H9 | 64.8° | 64.8° |
| H6 | C7 | C8 | H8 | 64.4° | 64.4° |
| H6 | C7 | C8 | H9 | 55.5° | 55.5° |
| H8 | C8 | C9 | H11 | 170.6° | 170.6° |
| H8 | C8 | C9 | H10 | 50.2° | 50.2° |
| H9 | C8 | C9 | H11 | 69.4° | 69.4° |
| H9 | C8 | C9 | H10 | 170.1° | 170.2° |
| H12 | C10 | C9 | H11 | 172.7° | 172.7° |
| H12 | C10 | C9 | H10 | 66.9° | 66.9° |
| H12 | C10 | C11 | H14 | 95.2° | 95.2° |
| H12 | C10 | C11 | H15 | 24.0° | 24.0° |
| H13 | C10 | C9 | H11 | 53.7° | 53.7° |
| H13 | C10 | C9 | H10 | 174.2° | 174.1° |
| H13 | C10 | C11 | H14 | 145.9° | 145.9° |
| H13 | C10 | C11 | H15 | 94.9° | 94.9° |
| H16 | C13 | C22 | H22 | 143.7° | 143.7° |
| H16 | C13 | C22 | H21 | 2.7° | 2.6° |
| H16 | C13 | C23 | H23 | 2.5° | 2.5° |
| H16 | C13 | C23 | H24 | 143.7° | 143.6° |
| H18 | C17 | C18 | H19 | 1.4° | 1.4° |
| H20 | C20 | C16 | H17 | 0.0° | 0.0° |
| H22 | C22 | C23 | H23 | 141.1° | 141.1° |
| H22 | C22 | C23 | H24 | 0.1° | 0.1° |
| H21 | C22 | C23 | H23 | 0.1° | 0.1° |
| H21 | C22 | C23 | H24 | 141.1° | 141.1° |
| H27 | C26 | C25 | H26 | 2.2° | 2.2° |
| H27 | C26 | C27 | H28 | 0.7° | 0.7° |
| H | C1 | C2 | H1 | 0.1° | 0.1° |
| H1 | C2 | C3 | H2 | 0.4° | 0.4° |
| H31 | C29 | H30 | H29 | 119.9° | 120.0° |
