7JY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C05 | doub | 1.36Å | 1.36Å | |
| C01 | C07 | sing | 1.47Å | 1.35Å | |
| C02 | C03 | sing | 1.56Å | 1.53Å | |
| C02 | O01 | sing | 1.47Å | 1.40Å | |
| C03 | C04 | sing | 1.55Å | 1.55Å | |
| C04 | C06 | sing | 1.56Å | 1.54Å | |
| C04 | S01 | sing | 1.81Å | 1.77Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C08 | sing | 1.47Å | 1.35Å | |
| C06 | O01 | sing | 1.47Å | 1.40Å | |
| C07 | C09 | doub | 1.40Å | 1.35Å | Aromatic |
| C07 | C13 | sing | 1.40Å | 1.35Å | Aromatic |
| C08 | C14 | doub | 1.40Å | 1.35Å | Aromatic |
| C08 | C19 | sing | 1.40Å | 1.35Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.34Å | Aromatic |
| C11 | O02 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.35Å | Aromatic |
| C16 | O03 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| O03 | C17 | sing | 1.43Å | 1.40Å | |
| C25 | C26 | doub | 1.39Å | 1.35Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.35Å | Aromatic |
| C25 | O04 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | sing | 1.38Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.34Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.34Å | Aromatic |
| S01 | O07 | doub | 1.42Å | 1.47Å | |
| S01 | O08 | doub | 1.42Å | 1.46Å | |
| S01 | O04 | sing | 1.52Å | 1.69Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C27 | CL1 | sing | 1.74Å | 1.72Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| O02 | H14 | sing | 0.97Å | 0.95Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | C1 | sing | 1.53Å | 40.08Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C2 | O2 | sing | 1.34Å | 0.00Å | |
| C1 | H32 | sing | 1.09Å | 0.00Å | |
| C1 | H33 | sing | 1.09Å | 0.00Å | |
| O2 | H34 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C05 | 103.9° | 105.9° |
| C02 | C01 | C07 | 121.2° | 127.0° |
| C01 | C02 | C03 | 108.8° | 105.1° |
| C01 | C02 | O01 | 103.3° | 100.7° |
| C01 | C02 | H1 | 113.6° | 115.7° |
| C05 | C01 | C07 | 134.9° | 127.0° |
| C01 | C05 | C06 | 103.6° | 106.0° |
| C01 | C05 | C08 | 136.3° | 127.0° |
| C01 | C07 | C09 | 120.5° | 120.1° |
| C01 | C07 | C13 | 123.6° | 120.1° |
| C03 | C02 | O01 | 100.5° | 101.1° |
| C02 | C03 | C04 | 100.3° | 102.0° |
| C03 | C02 | H1 | 113.5° | 115.6° |
| C02 | C03 | H2 | 111.7° | 111.0° |
| C02 | C03 | H3 | 111.7° | 111.0° |
| C02 | O01 | C06 | 95.8° | 97.0° |
| O01 | C02 | H1 | 115.9° | 116.5° |
| C03 | C04 | C06 | 99.5° | 101.9° |
| C03 | C04 | S01 | 116.9° | 110.9° |
| C04 | C03 | H2 | 111.7° | 110.9° |
| C04 | C03 | H3 | 111.7° | 110.9° |
| C03 | C04 | H4 | 110.6° | 111.0° |
| C06 | C04 | S01 | 111.1° | 110.9° |
| C04 | C06 | C05 | 105.1° | 105.1° |
| C04 | C06 | O01 | 103.3° | 101.1° |
| C06 | C04 | H4 | 110.8° | 110.9° |
| C04 | C06 | H5 | 113.6° | 115.6° |
| C04 | S01 | O07 | 112.1° | 110.6° |
| C04 | S01 | O08 | 116.4° | 110.6° |
| C04 | S01 | O04 | 109.1° | 104.5° |
| S01 | C04 | H4 | 107.9° | 110.9° |
| C06 | C05 | C08 | 120.0° | 127.0° |
| C05 | C06 | O01 | 103.6° | 100.7° |
| C05 | C06 | H5 | 113.9° | 115.7° |
| C05 | C08 | C14 | 121.0° | 120.1° |
| C05 | C08 | C19 | 123.6° | 120.1° |
| O01 | C06 | H5 | 116.0° | 116.6° |
| C09 | C07 | C13 | 115.9° | 119.8° |
| C07 | C09 | C10 | 122.2° | 119.9° |
| C07 | C09 | H6 | 118.9° | 120.1° |
| C07 | C13 | C12 | 122.0° | 119.9° |
| C07 | C13 | H9 | 119.0° | 120.0° |
| C14 | C08 | C19 | 115.3° | 119.7° |
| C08 | C14 | C15 | 122.1° | 119.9° |
| C08 | C14 | H10 | 119.0° | 120.0° |
| C08 | C19 | C18 | 122.6° | 119.9° |
| C08 | C19 | H13 | 118.7° | 120.0° |
| C09 | C10 | C11 | 121.2° | 120.1° |
| C10 | C09 | H6 | 118.9° | 120.0° |
| C09 | C10 | H7 | 119.4° | 120.0° |
| C10 | C11 | C12 | 117.1° | 120.2° |
| C10 | C11 | O02 | 121.8° | 119.9° |
| C11 | C10 | H7 | 119.4° | 119.9° |
| C12 | C11 | O02 | 121.1° | 119.9° |
| C11 | C12 | C13 | 121.4° | 120.1° |
| C11 | C12 | H8 | 119.3° | 119.9° |
| C11 | O02 | H14 | 109.5° | 114.1° |
| C13 | C12 | H8 | 119.3° | 119.9° |
| C12 | C13 | H9 | 119.0° | 120.1° |
| C14 | C15 | C16 | 122.7° | 120.1° |
| C15 | C14 | H10 | 119.0° | 120.1° |
| C14 | C15 | H11 | 118.7° | 119.9° |
| C15 | C16 | C18 | 115.5° | 120.2° |
| C15 | C16 | O03 | 118.3° | 119.9° |
| C16 | C15 | H11 | 118.6° | 120.0° |
| C18 | C16 | O03 | 126.2° | 119.9° |
| C16 | C18 | C19 | 121.8° | 120.1° |
| C16 | C18 | H12 | 119.1° | 120.0° |
| C16 | O03 | C17 | 119.4° | 117.0° |
| C19 | C18 | H12 | 119.1° | 120.0° |
| C18 | C19 | H13 | 118.7° | 120.0° |
| O03 | C17 | C20 | 108.1° | 109.5° |
| O03 | C17 | H22 | 109.8° | 109.4° |
| O03 | C17 | H23 | 109.8° | 109.5° |
| C26 | C25 | C30 | 116.3° | 119.9° |
| C26 | C25 | O04 | 120.5° | 120.1° |
| C25 | C26 | C27 | 122.2° | 119.9° |
| C25 | C26 | H15 | 118.9° | 120.1° |
| C30 | C25 | O04 | 123.2° | 120.0° |
| C25 | C30 | C29 | 122.2° | 120.0° |
| C25 | C30 | H18 | 118.9° | 120.0° |
| C25 | O04 | S01 | 119.0° | 114.0° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C26 | C27 | CL1 | 119.4° | 120.0° |
| C27 | C26 | H15 | 118.9° | 120.0° |
| C27 | C28 | C29 | 118.9° | 120.1° |
| C28 | C27 | CL1 | 120.3° | 120.0° |
| C27 | C28 | H16 | 120.6° | 119.9° |
| C28 | C29 | C30 | 120.1° | 120.1° |
| C29 | C28 | H16 | 120.6° | 120.0° |
| C28 | C29 | H17 | 119.9° | 120.0° |
| C30 | C29 | H17 | 119.9° | 119.9° |
| C29 | C30 | H18 | 118.9° | 120.1° |
| O07 | S01 | O08 | 121.4° | 121.0° |
| O07 | S01 | O04 | 96.3° | 104.3° |
| O08 | S01 | O04 | 97.0° | 104.2° |
| C17 | C20 | C21 | 112.7° | 109.5° |
| C20 | C17 | H22 | 109.8° | 109.4° |
| C20 | C17 | H23 | 109.8° | 109.5° |
| C17 | C20 | H24 | 108.6° | 109.4° |
| C17 | C20 | H25 | 108.7° | 109.5° |
| C20 | C21 | C22 | 111.6° | 109.5° |
| C21 | C20 | H24 | 108.7° | 109.4° |
| C21 | C20 | H25 | 108.6° | 109.5° |
| C20 | C21 | H26 | 108.9° | 109.4° |
| C20 | C21 | H27 | 108.9° | 109.5° |
| C21 | C22 | C23 | 112.1° | 109.5° |
| C22 | C21 | H26 | 108.9° | 109.5° |
| C22 | C21 | H27 | 108.9° | 109.5° |
| C21 | C22 | H28 | 108.8° | 109.5° |
| C21 | C22 | H29 | 108.8° | 109.5° |
| C23 | C22 | H28 | 108.8° | 109.4° |
| C23 | C22 | H29 | 108.8° | 109.5° |
| C22 | C23 | H30 | 117.3° | 109.4° |
| C22 | C23 | H31 | 117.3° | 109.5° |
| C22 | C23 | C1 | 74.7° | 109.5° |
| H2 | C03 | H3 | 109.5° | 110.8° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | C1 | 117.3° | 109.5° |
| H31 | C23 | C1 | 117.3° | 109.5° |
| C23 | C1 | C2 | 90.0° | 109.5° |
| C23 | C1 | H32 | 90.0° | 109.5° |
| C23 | C1 | H33 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | O2 | 90.0° | 120.0° |
| C2 | C1 | H32 | 90.0° | 109.5° |
| C2 | C1 | H33 | 90.0° | 109.5° |
| O1 | C2 | O2 | 90.0° | 120.0° |
| C2 | O2 | H34 | 90.0° | 117.0° |
| H32 | C1 | H33 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C05 | C07 | 179.3° | 179.7° |
| C01 | C02 | C03 | O01 | 108.1° | 104.4° |
| C01 | C02 | C03 | H1 | 127.6° | 128.8° |
| C01 | C02 | O01 | H1 | 124.9° | 125.9° |
| C01 | C02 | C03 | C04 | 66.9° | 69.6° |
| C02 | C01 | C05 | C06 | 0.2° | 0.0° |
| C02 | C01 | C05 | C08 | 178.3° | 180.0° |
| C01 | C02 | O01 | C06 | 50.7° | 50.5° |
| C02 | C01 | C07 | C09 | 33.1° | 115.0° |
| C02 | C01 | C07 | C13 | 145.3° | 64.7° |
| C01 | C02 | C03 | H2 | 51.6° | 48.5° |
| C01 | C02 | C03 | H3 | 174.6° | 172.2° |
| C05 | C01 | C02 | C03 | 74.0° | 72.5° |
| C05 | C01 | C02 | O01 | 32.2° | 32.2° |
| C01 | C05 | C06 | C04 | 75.5° | 72.5° |
| C01 | C05 | C06 | C08 | 178.5° | 179.9° |
| C01 | C05 | C06 | O01 | 32.6° | 32.1° |
| C05 | C01 | C07 | C09 | 147.7° | 64.7° |
| C05 | C01 | C07 | C13 | 33.9° | 115.6° |
| C01 | C05 | C08 | C14 | 130.9° | 65.0° |
| C01 | C05 | C08 | C19 | 52.3° | 115.3° |
| C05 | C01 | C02 | H1 | 158.5° | 158.7° |
| C01 | C05 | C06 | H5 | 159.5° | 158.7° |
| C07 | C01 | C02 | C03 | 106.6° | 107.8° |
| C07 | C01 | C02 | O01 | 147.3° | 147.5° |
| C07 | C01 | C05 | C06 | 179.5° | 179.7° |
| C07 | C01 | C05 | C08 | 2.4° | 0.2° |
| C01 | C07 | C09 | C13 | 178.5° | 179.7° |
| C01 | C07 | C09 | C10 | 179.3° | 179.9° |
| C01 | C07 | C13 | C12 | 179.1° | 179.7° |
| C07 | C01 | C02 | H1 | 20.9° | 21.0° |
| C01 | C07 | C09 | H6 | 0.7° | 0.1° |
| C01 | C07 | C13 | H9 | 0.9° | 0.0° |
| C03 | C02 | O01 | H1 | 122.8° | 126.2° |
| C02 | C03 | C04 | H2 | 118.5° | 118.2° |
| C02 | C03 | C04 | H3 | 118.5° | 118.2° |
| C02 | C03 | C04 | C06 | 5.9° | 0.0° |
| C02 | C03 | C04 | S01 | 125.5° | 118.1° |
| C03 | C02 | O01 | C06 | 61.7° | 57.4° |
| C02 | C03 | H2 | H3 | 124.3° | 123.8° |
| C02 | C03 | C04 | H4 | 110.6° | 118.1° |
| O01 | C02 | C03 | C04 | 41.2° | 34.8° |
| C02 | O01 | C06 | C04 | 58.4° | 57.3° |
| C02 | O01 | C06 | C05 | 51.1° | 50.5° |
| O01 | C02 | C03 | H2 | 159.7° | 152.9° |
| O01 | C02 | C03 | H3 | 77.3° | 83.4° |
| C02 | O01 | C06 | H5 | 176.7° | 176.5° |
| C03 | C04 | C06 | S01 | 123.7° | 118.1° |
| C03 | C04 | C06 | H4 | 116.3° | 118.2° |
| C03 | C04 | S01 | H4 | 125.2° | 123.8° |
| C03 | C04 | C06 | C05 | 77.3° | 69.6° |
| C03 | C04 | C06 | O01 | 31.1° | 34.8° |
| C03 | C04 | S01 | O07 | 79.0° | 52.9° |
| C03 | C04 | S01 | O08 | 67.1° | 170.3° |
| C03 | C04 | S01 | O04 | 175.6° | 58.8° |
| C04 | C03 | C02 | H1 | 165.6° | 161.6° |
| C04 | C03 | H2 | H3 | 124.3° | 123.6° |
| C03 | C04 | C06 | H5 | 157.6° | 161.5° |
| C06 | C04 | S01 | H4 | 121.6° | 123.7° |
| C04 | C06 | C05 | O01 | 108.1° | 104.7° |
| C04 | C06 | C05 | H5 | 125.0° | 128.8° |
| C04 | C06 | C05 | C08 | 103.0° | 107.5° |
| C04 | C06 | O01 | H5 | 125.0° | 126.1° |
| C06 | C04 | S01 | O07 | 34.1° | 59.6° |
| C06 | C04 | S01 | O08 | 179.8° | 77.2° |
| C06 | C04 | S01 | O04 | 71.3° | 171.3° |
| C06 | C04 | C03 | H2 | 124.4° | 118.2° |
| C06 | C04 | C03 | H3 | 112.6° | 118.2° |
| S01 | C04 | C06 | C05 | 159.0° | 172.2° |
| S01 | C04 | C06 | O01 | 92.7° | 83.4° |
| C04 | S01 | O04 | C25 | 138.0° | 74.5° |
| C04 | S01 | O07 | O08 | 144.2° | 131.6° |
| C04 | S01 | O07 | O04 | 113.6° | 111.7° |
| C04 | S01 | O08 | O04 | 115.4° | 111.7° |
| S01 | C04 | C03 | H2 | 116.0° | 123.7° |
| S01 | C04 | C03 | H3 | 7.0° | 0.1° |
| S01 | C04 | C06 | H5 | 33.8° | 43.4° |
| C05 | C06 | O01 | H5 | 125.6° | 126.0° |
| C06 | C05 | C08 | C14 | 51.3° | 115.0° |
| C06 | C05 | C08 | C19 | 125.6° | 64.7° |
| C05 | C06 | C04 | H4 | 39.1° | 48.6° |
| C08 | C05 | C06 | O01 | 148.9° | 147.8° |
| C05 | C08 | C14 | C19 | 177.1° | 179.7° |
| C05 | C08 | C14 | C15 | 178.7° | 180.0° |
| C05 | C08 | C19 | C18 | 178.5° | 179.7° |
| C08 | C05 | C06 | H5 | 22.0° | 21.3° |
| C05 | C08 | C14 | H10 | 1.3° | 0.0° |
| C05 | C08 | C19 | H13 | 1.5° | 0.1° |
| C06 | O01 | C02 | H1 | 175.6° | 176.5° |
| O01 | C06 | C04 | H4 | 147.4° | 152.9° |
| C07 | C09 | C10 | H6 | 180.0° | 180.0° |
| C07 | C09 | C10 | C11 | 0.6° | 0.1° |
| C09 | C07 | C13 | C12 | 0.7° | 0.6° |
| C07 | C09 | C10 | H7 | 179.4° | 179.9° |
| C09 | C07 | C13 | H9 | 179.4° | 179.7° |
| C13 | C07 | C09 | C10 | 0.8° | 0.3° |
| C07 | C13 | C12 | C11 | 0.3° | 0.6° |
| C07 | C13 | C12 | H9 | 180.0° | 179.7° |
| C13 | C07 | C09 | H6 | 179.2° | 179.8° |
| C07 | C13 | C12 | H8 | 179.7° | 179.7° |
| C08 | C14 | C15 | H10 | 180.0° | 180.0° |
| C08 | C14 | C15 | C16 | 0.7° | 0.0° |
| C14 | C08 | C19 | C18 | 1.5° | 0.6° |
| C08 | C14 | C15 | H11 | 179.3° | 179.9° |
| C14 | C08 | C19 | H13 | 178.5° | 179.7° |
| C19 | C08 | C14 | C15 | 1.6° | 0.3° |
| C08 | C19 | C18 | C16 | 0.5° | 0.6° |
| C08 | C19 | C18 | H13 | 180.0° | 179.6° |
| C19 | C08 | C14 | H10 | 178.4° | 179.7° |
| C08 | C19 | C18 | H12 | 179.5° | 179.7° |
| C09 | C10 | C11 | H7 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.2° | 0.1° |
| C09 | C10 | C11 | O02 | 179.9° | 180.0° |
| C10 | C11 | C12 | O02 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.2° |
| C11 | C10 | C09 | H6 | 179.4° | 179.9° |
| C10 | C11 | C12 | H8 | 179.9° | 180.0° |
| C10 | C11 | O02 | H14 | 180.0° | 89.9° |
| C11 | C12 | C13 | H8 | 180.0° | 179.7° |
| C12 | C11 | C10 | H7 | 179.8° | 180.0° |
| C11 | C12 | C13 | H9 | 179.7° | 179.7° |
| C12 | C11 | O02 | H14 | 0.1° | 90.0° |
| O02 | C11 | C12 | C13 | 180.0° | 179.7° |
| O02 | C11 | C10 | H7 | 0.1° | 0.1° |
| O02 | C11 | C12 | H8 | 0.0° | 0.1° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C18 | 0.3° | 0.0° |
| C14 | C15 | C16 | O03 | 179.7° | 180.0° |
| C15 | C16 | C18 | O03 | 179.3° | 180.0° |
| C15 | C16 | C18 | C19 | 0.4° | 0.3° |
| C15 | C16 | O03 | C17 | 102.2° | 180.0° |
| C16 | C15 | C14 | H10 | 179.3° | 180.0° |
| C15 | C16 | C18 | H12 | 179.6° | 180.0° |
| C16 | C18 | C19 | H12 | 180.0° | 179.7° |
| C18 | C16 | O03 | C17 | 77.1° | 0.0° |
| C18 | C16 | C15 | H11 | 179.7° | 179.9° |
| C16 | C18 | C19 | H13 | 179.5° | 179.8° |
| O03 | C16 | C18 | C19 | 179.7° | 179.7° |
| C16 | O03 | C17 | C20 | 135.7° | 180.0° |
| O03 | C16 | C15 | H11 | 0.3° | 0.1° |
| O03 | C16 | C18 | H12 | 0.3° | 0.0° |
| C16 | O03 | C17 | H22 | 104.5° | 60.0° |
| C16 | O03 | C17 | H23 | 15.9° | 59.9° |
| O03 | C17 | C20 | H22 | 119.8° | 120.0° |
| O03 | C17 | C20 | H23 | 119.8° | 120.1° |
| O03 | C17 | C20 | C21 | 163.1° | 180.0° |
| O03 | C17 | H22 | H23 | 120.6° | 120.0° |
| O03 | C17 | C20 | H24 | 76.4° | 60.0° |
| O03 | C17 | C20 | H25 | 42.6° | 59.9° |
| C26 | C25 | C30 | O04 | 178.8° | 179.8° |
| C25 | C26 | C27 | H15 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C25 | C30 | C29 | 1.3° | 0.0° |
| C26 | C25 | O04 | S01 | 123.4° | 90.6° |
| C25 | C26 | C27 | CL1 | 179.7° | 180.0° |
| C26 | C25 | C30 | H18 | 178.7° | 180.0° |
| C30 | C25 | C26 | C27 | 0.8° | 0.1° |
| C25 | C30 | C29 | C28 | 1.3° | 0.0° |
| C25 | C30 | C29 | H18 | 180.0° | 180.0° |
| C30 | C25 | O04 | S01 | 57.8° | 89.5° |
| C30 | C25 | C26 | H15 | 179.2° | 179.9° |
| C25 | C30 | C29 | H17 | 178.7° | 180.0° |
| O04 | C25 | C26 | C27 | 179.7° | 179.7° |
| O04 | C25 | C30 | C29 | 179.9° | 179.8° |
| C25 | O04 | S01 | O07 | 22.0° | 169.4° |
| C25 | O04 | S01 | O08 | 100.8° | 41.5° |
| O04 | C25 | C26 | H15 | 0.3° | 0.2° |
| O04 | C25 | C30 | H18 | 0.1° | 0.2° |
| C26 | C27 | C28 | CL1 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H16 | 179.8° | 180.0° |
| C27 | C28 | C29 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C28 | C27 | C26 | H15 | 179.7° | 180.0° |
| C27 | C28 | C29 | H17 | 179.3° | 180.0° |
| C28 | C29 | C30 | H17 | 180.0° | 180.0° |
| C29 | C28 | C27 | CL1 | 179.8° | 180.0° |
| C28 | C29 | C30 | H18 | 178.7° | 180.0° |
| C30 | C29 | C28 | H16 | 179.3° | 180.0° |
| O07 | S01 | O08 | O04 | 101.8° | 116.7° |
| O07 | S01 | C04 | H4 | 155.7° | 176.7° |
| O08 | S01 | C04 | H4 | 58.1° | 46.5° |
| O04 | S01 | C04 | H4 | 50.3° | 65.0° |
| C17 | C20 | C21 | H24 | 120.5° | 120.0° |
| C17 | C20 | C21 | H25 | 120.5° | 120.1° |
| C17 | C20 | C21 | C22 | 161.7° | 180.0° |
| C20 | C17 | H22 | H23 | 120.6° | 120.0° |
| C17 | C20 | H24 | H25 | 118.5° | 120.0° |
| C17 | C20 | C21 | H26 | 78.0° | 60.0° |
| C17 | C20 | C21 | H27 | 41.4° | 59.9° |
| C20 | C21 | C22 | H26 | 120.3° | 120.0° |
| C20 | C21 | C22 | H27 | 120.3° | 120.0° |
| C20 | C21 | C22 | C23 | 147.1° | 180.0° |
| C21 | C20 | C17 | H22 | 43.3° | 60.0° |
| C21 | C20 | C17 | H23 | 77.0° | 60.0° |
| C21 | C20 | H24 | H25 | 118.5° | 120.0° |
| C20 | C21 | H26 | H27 | 119.0° | 120.0° |
| C20 | C21 | C22 | H28 | 92.5° | 60.0° |
| C20 | C21 | C22 | H29 | 26.7° | 60.0° |
| C21 | C22 | C23 | H28 | 120.4° | 120.0° |
| C21 | C22 | C23 | H29 | 120.4° | 120.0° |
| C22 | C21 | C20 | H24 | 41.2° | 60.0° |
| C22 | C21 | C20 | H25 | 77.8° | 60.0° |
| C22 | C21 | H26 | H27 | 119.0° | 120.0° |
| C21 | C22 | H28 | H29 | 118.8° | 120.0° |
| C21 | C22 | C23 | H30 | 157.5° | 60.0° |
| C21 | C22 | C23 | H31 | 68.9° | 60.0° |
| C21 | C22 | C23 | C1 | 44.3° | 180.0° |
| C23 | C22 | C21 | H26 | 26.7° | 60.0° |
| C23 | C22 | C21 | H27 | 92.6° | 59.9° |
| C23 | C22 | H28 | H29 | 118.8° | 120.0° |
| C22 | C23 | H30 | H31 | 136.9° | 120.0° |
| C22 | C23 | H30 | C1 | 86.2° | 119.9° |
| C22 | C23 | H31 | C1 | 86.2° | 120.0° |
| C22 | C23 | C1 | C2 | 90.0° | 179.9° |
| C22 | C23 | C1 | H32 | 90.0° | 60.0° |
| C22 | C23 | C1 | H33 | 90.0° | 59.9° |
| CL1 | C27 | C26 | H15 | 0.3° | 0.0° |
| CL1 | C27 | C28 | H16 | 0.2° | 0.0° |
| H1 | C02 | C03 | H2 | 75.9° | 80.3° |
| H1 | C02 | C03 | H3 | 47.1° | 43.4° |
| H2 | C03 | C04 | H4 | 7.8° | 0.1° |
| H3 | C03 | C04 | H4 | 130.8° | 123.7° |
| H4 | C04 | C06 | H5 | 86.1° | 80.3° |
| H6 | C09 | C10 | H7 | 0.6° | 0.0° |
| H8 | C12 | C13 | H9 | 0.3° | 0.0° |
| H10 | C14 | C15 | H11 | 0.7° | 0.1° |
| H12 | C18 | C19 | H13 | 0.5° | 0.0° |
| H16 | C28 | C29 | H17 | 0.7° | 0.1° |
| H17 | C29 | C30 | H18 | 1.3° | 0.1° |
| H22 | C17 | C20 | H24 | 163.8° | 180.0° |
| H22 | C17 | C20 | H25 | 77.1° | 60.0° |
| H23 | C17 | C20 | H24 | 43.4° | 60.0° |
| H23 | C17 | C20 | H25 | 162.5° | 180.0° |
| H24 | C20 | C21 | H26 | 161.6° | 180.0° |
| H24 | C20 | C21 | H27 | 79.1° | 60.0° |
| H25 | C20 | C21 | H26 | 42.5° | 60.1° |
| H25 | C20 | C21 | H27 | 161.9° | 180.0° |
| H26 | C21 | C22 | H28 | 147.1° | 180.0° |
| H26 | C21 | C22 | H29 | 93.7° | 60.0° |
| H27 | C21 | C22 | H28 | 27.8° | 60.0° |
| H27 | C21 | C22 | H29 | 147.0° | 180.0° |
| H28 | C22 | C23 | H30 | 37.2° | 180.0° |
| H28 | C22 | C23 | H31 | 170.7° | 60.0° |
| H28 | C22 | C23 | C1 | 76.1° | 60.0° |
| H29 | C22 | C23 | H30 | 82.0° | 60.0° |
| H29 | C22 | C23 | H31 | 51.5° | 180.0° |
| H29 | C22 | C23 | C1 | 164.7° | 60.0° |
| H30 | C23 | H31 | C1 | 136.9° | 120.0° |
| H30 | C23 | C1 | C2 | 90.0° | 60.0° |
| H30 | C23 | C1 | H32 | 90.0° | 180.0° |
| H30 | C23 | C1 | H33 | 90.0° | 60.0° |
| H31 | C23 | C1 | C2 | 90.0° | 60.0° |
| H31 | C23 | C1 | H32 | 90.0° | 60.0° |
| H31 | C23 | C1 | H33 | 90.0° | 180.0° |
| C23 | C1 | C2 | H32 | 90.0° | 120.0° |
| C23 | C1 | C2 | H33 | 90.0° | 120.0° |
| C23 | C1 | C2 | O1 | 90.0° | 0.0° |
| C23 | C1 | C2 | O2 | 90.0° | 180.0° |
| C23 | C1 | H32 | H33 | 90.0° | 120.0° |
| C1 | C2 | O1 | O2 | 90.0° | 180.0° |
| C2 | C1 | H32 | H33 | 90.0° | 120.0° |
| C1 | C2 | O2 | H34 | 90.0° | 179.9° |
| O1 | C2 | C1 | H32 | 90.0° | 120.0° |
| O1 | C2 | C1 | H33 | 90.0° | 120.1° |
| O1 | C2 | O2 | H34 | 90.0° | 0.0° |
| O2 | C2 | C1 | H32 | 90.0° | 60.0° |
| O2 | C2 | C1 | H33 | 90.0° | 60.0° |
