7E1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C03 | sing | 1.36Å | 1.36Å | |
| C03 | C04 | doub | 1.39Å | 1.35Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.34Å | Aromatic |
| C05 | C29 | doub | 1.40Å | 1.37Å | Aromatic |
| C01 | C29 | sing | 1.40Å | 1.34Å | Aromatic |
| C29 | C23 | sing | 1.47Å | 1.36Å | |
| C23 | C27 | doub | 1.36Å | 1.36Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C27 | C30 | sing | 1.47Å | 1.36Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C10 | C30 | doub | 1.40Å | 1.34Å | Aromatic |
| C10 | C09 | sing | 1.37Å | 1.35Å | Aromatic |
| C30 | C06 | sing | 1.40Å | 1.35Å | Aromatic |
| C24 | O07 | sing | 1.47Å | 1.41Å | |
| C24 | C25 | sing | 1.56Å | 1.53Å | |
| C09 | C08 | doub | 1.40Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.37Å | 1.34Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.35Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.36Å | |
| O07 | C28 | sing | 1.47Å | 1.40Å | |
| C28 | C26 | sing | 1.56Å | 1.54Å | |
| C25 | C26 | sing | 1.55Å | 1.55Å | |
| C26 | S01 | sing | 1.81Å | 1.77Å | |
| O05 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | O02 | sing | 1.52Å | 1.69Å | |
| S01 | O06 | doub | 1.42Å | 1.46Å | |
| O02 | C13 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | doub | 1.39Å | 1.35Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.34Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.73Å | |
| C15 | C16 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.34Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| O01 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.08Å | 1.08Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | C1 | doub | 1.33Å | 25.06Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.51Å | 0.00Å | |
| C5 | O1 | sing | 1.34Å | 0.00Å | |
| C5 | O2 | doub | 1.21Å | 0.00Å | |
| C1 | H9 | sing | 1.08Å | 0.00Å | |
| C2 | H10 | sing | 1.09Å | 0.00Å | |
| C2 | H24 | sing | 1.09Å | 0.00Å | |
| C3 | H25 | sing | 1.09Å | 0.00Å | |
| C3 | H26 | sing | 1.09Å | 0.00Å | |
| C4 | H27 | sing | 1.09Å | 0.00Å | |
| C4 | H28 | sing | 1.09Å | 0.00Å | |
| O1 | H29 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C03 | C04 | 122.4° | 119.9° |
| O01 | C03 | C02 | 120.1° | 119.9° |
| C03 | O01 | H7 | 109.5° | 114.0° |
| C04 | C03 | C02 | 117.6° | 120.2° |
| C03 | C04 | C05 | 120.5° | 120.1° |
| C03 | C04 | H3 | 119.8° | 120.0° |
| C03 | C02 | C01 | 121.3° | 120.1° |
| C03 | C02 | H2 | 119.3° | 119.9° |
| C04 | C05 | C29 | 122.6° | 119.9° |
| C05 | C04 | H3 | 119.8° | 119.9° |
| C04 | C05 | H4 | 118.7° | 120.1° |
| C02 | C01 | C29 | 123.1° | 119.9° |
| C02 | C01 | H1 | 118.4° | 120.0° |
| C01 | C02 | H2 | 119.3° | 120.0° |
| C05 | C29 | C01 | 115.0° | 119.8° |
| C05 | C29 | C23 | 125.3° | 120.2° |
| C29 | C05 | H4 | 118.7° | 120.0° |
| C01 | C29 | C23 | 119.7° | 120.0° |
| C29 | C01 | H1 | 118.5° | 120.1° |
| C29 | C23 | C27 | 133.8° | 127.1° |
| C29 | C23 | C24 | 122.7° | 127.0° |
| C27 | C23 | C24 | 103.4° | 105.9° |
| C23 | C27 | C30 | 133.0° | 127.0° |
| C23 | C27 | C28 | 103.7° | 106.0° |
| C23 | C24 | O07 | 105.1° | 100.7° |
| C23 | C24 | C25 | 107.8° | 105.1° |
| C23 | C24 | H16 | 113.2° | 115.6° |
| C30 | C27 | C28 | 119.1° | 127.0° |
| C27 | C30 | C10 | 124.8° | 120.0° |
| C27 | C30 | C06 | 120.0° | 120.0° |
| C27 | C28 | O07 | 105.3° | 100.7° |
| C27 | C28 | C26 | 107.5° | 105.1° |
| C27 | C28 | H21 | 113.5° | 115.7° |
| C30 | C10 | C09 | 121.9° | 120.0° |
| C10 | C30 | C06 | 115.2° | 120.0° |
| C30 | C10 | H23 | 119.1° | 120.0° |
| C10 | C09 | C08 | 122.3° | 120.0° |
| C10 | C09 | H6 | 118.9° | 120.0° |
| C09 | C10 | H23 | 119.0° | 120.0° |
| C30 | C06 | C07 | 123.6° | 120.0° |
| C30 | C06 | H22 | 118.2° | 120.1° |
| O07 | C24 | C25 | 100.6° | 101.1° |
| C24 | O07 | C28 | 95.4° | 97.0° |
| O07 | C24 | H16 | 115.6° | 115.9° |
| C24 | C25 | C26 | 99.5° | 102.0° |
| C25 | C24 | H16 | 113.5° | 116.2° |
| C24 | C25 | H17 | 111.9° | 111.0° |
| C24 | C25 | H18 | 111.9° | 110.9° |
| C09 | C08 | C07 | 115.9° | 120.1° |
| C09 | C08 | C11 | 125.4° | 120.0° |
| C08 | C09 | H6 | 118.8° | 120.0° |
| C06 | C07 | C08 | 121.1° | 120.0° |
| C06 | C07 | H5 | 119.5° | 120.0° |
| C07 | C06 | H22 | 118.2° | 120.0° |
| C07 | C08 | C11 | 118.7° | 120.0° |
| C08 | C07 | H5 | 119.5° | 120.0° |
| C08 | C11 | H8 | 165.0° | 120.0° |
| C08 | C11 | C1 | 29.9° | 120.0° |
| O07 | C28 | C26 | 99.4° | 101.1° |
| O07 | C28 | H21 | 116.1° | 116.5° |
| C28 | C26 | C25 | 100.6° | 101.9° |
| C28 | C26 | S01 | 111.3° | 110.9° |
| C28 | C26 | H19 | 111.3° | 111.0° |
| C26 | C28 | H21 | 113.7° | 115.6° |
| C25 | C26 | S01 | 114.0° | 110.9° |
| C26 | C25 | H17 | 111.9° | 111.0° |
| C26 | C25 | H18 | 111.9° | 110.9° |
| C25 | C26 | H19 | 111.2° | 110.9° |
| C26 | S01 | O05 | 112.2° | 110.5° |
| C26 | S01 | O02 | 105.0° | 104.5° |
| C26 | S01 | O06 | 111.6° | 110.6° |
| S01 | C26 | H19 | 108.4° | 110.8° |
| O05 | S01 | O02 | 100.6° | 104.2° |
| O05 | S01 | O06 | 122.3° | 121.1° |
| O02 | S01 | O06 | 102.4° | 104.3° |
| S01 | O02 | C13 | 124.2° | 113.9° |
| O02 | C13 | C14 | 119.4° | 120.1° |
| O02 | C13 | C18 | 125.0° | 120.0° |
| C14 | C13 | C18 | 115.6° | 119.9° |
| C13 | C14 | C15 | 122.7° | 119.9° |
| C13 | C14 | H11 | 118.6° | 120.1° |
| C13 | C18 | C17 | 122.3° | 120.0° |
| C13 | C18 | H14 | 118.8° | 120.0° |
| C14 | C15 | CL1 | 120.0° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C15 | C14 | H11 | 118.7° | 120.0° |
| C18 | C17 | C16 | 120.6° | 120.1° |
| C18 | C17 | H13 | 119.7° | 119.9° |
| C17 | C18 | H14 | 118.8° | 120.0° |
| CL1 | C15 | C16 | 119.8° | 120.0° |
| C15 | C16 | C17 | 118.6° | 120.1° |
| C15 | C16 | H12 | 120.7° | 120.0° |
| C17 | C16 | H12 | 120.7° | 119.9° |
| C16 | C17 | H13 | 119.7° | 120.0° |
| H8 | C11 | C1 | 165.0° | 120.0° |
| H17 | C25 | H18 | 109.5° | 110.8° |
| C11 | C1 | C2 | 90.0° | 120.0° |
| C11 | C1 | H9 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.4° |
| C2 | C1 | H9 | 90.0° | 120.0° |
| C1 | C2 | H10 | 90.0° | 109.5° |
| C1 | C2 | H24 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H10 | 90.0° | 109.5° |
| C3 | C2 | H24 | 90.0° | 109.5° |
| C2 | C3 | H25 | 90.0° | 109.5° |
| C2 | C3 | H26 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C4 | C3 | H25 | 90.0° | 109.5° |
| C4 | C3 | H26 | 90.0° | 109.5° |
| C3 | C4 | H27 | 90.0° | 109.5° |
| C3 | C4 | H28 | 90.0° | 109.5° |
| C4 | C5 | O1 | 90.0° | 120.0° |
| C4 | C5 | O2 | 90.0° | 120.0° |
| C5 | C4 | H27 | 90.0° | 109.5° |
| C5 | C4 | H28 | 90.0° | 109.5° |
| O1 | C5 | O2 | 90.0° | 120.0° |
| C5 | O1 | H29 | 90.0° | 117.0° |
| H10 | C2 | H24 | 90.0° | 109.5° |
| H25 | C3 | H26 | 90.0° | 109.4° |
| H27 | C4 | H28 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C03 | C04 | C02 | 179.2° | 180.0° |
| O01 | C03 | C04 | C05 | 179.7° | 180.0° |
| O01 | C03 | C02 | C01 | 179.3° | 180.0° |
| O01 | C03 | C02 | H2 | 0.7° | 0.0° |
| O01 | C03 | C04 | H3 | 0.3° | 0.0° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.0° | 0.0° |
| C03 | C04 | C05 | C29 | 0.7° | 0.1° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H4 | 179.4° | 179.9° |
| C04 | C03 | O01 | H7 | 180.0° | 90.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C29 | 0.3° | 0.0° |
| C03 | C02 | C01 | H1 | 179.7° | 179.7° |
| C02 | C03 | C04 | H3 | 179.5° | 180.0° |
| C02 | C03 | O01 | H7 | 0.8° | 90.0° |
| C04 | C05 | C29 | H4 | 180.0° | 179.9° |
| C04 | C05 | C29 | C01 | 0.3° | 0.0° |
| C04 | C05 | C29 | C23 | 179.3° | 179.8° |
| C02 | C01 | C29 | C05 | 0.1° | 0.0° |
| C02 | C01 | C29 | H1 | 180.0° | 179.7° |
| C02 | C01 | C29 | C23 | 178.9° | 179.7° |
| C05 | C29 | C01 | C23 | 179.0° | 179.7° |
| C05 | C29 | C23 | C27 | 17.0° | 115.2° |
| C05 | C29 | C23 | C24 | 159.7° | 64.9° |
| C05 | C29 | C01 | H1 | 179.9° | 179.7° |
| C29 | C05 | C04 | H3 | 179.4° | 180.0° |
| C01 | C29 | C23 | C27 | 164.1° | 65.1° |
| C01 | C29 | C23 | C24 | 19.2° | 114.8° |
| C29 | C01 | C02 | H2 | 179.7° | 180.0° |
| C01 | C29 | C05 | H4 | 179.7° | 179.9° |
| C29 | C23 | C27 | C24 | 177.1° | 179.9° |
| C29 | C23 | C27 | C30 | 27.1° | 0.1° |
| C29 | C23 | C27 | C28 | 177.3° | 179.8° |
| C29 | C23 | C24 | O07 | 146.5° | 147.6° |
| C29 | C23 | C24 | C25 | 106.9° | 107.6° |
| C23 | C29 | C01 | H1 | 1.1° | 0.0° |
| C23 | C29 | C05 | H4 | 0.7° | 0.4° |
| C29 | C23 | C24 | H16 | 19.5° | 22.0° |
| C23 | C27 | C30 | C28 | 152.7° | 179.9° |
| C23 | C27 | C30 | C10 | 27.0° | 114.9° |
| C23 | C27 | C30 | C06 | 155.5° | 65.1° |
| C27 | C23 | C24 | O07 | 31.1° | 32.2° |
| C27 | C23 | C24 | C25 | 75.6° | 72.5° |
| C23 | C27 | C28 | O07 | 31.6° | 32.1° |
| C23 | C27 | C28 | C26 | 73.7° | 72.6° |
| C27 | C23 | C24 | H16 | 158.1° | 157.9° |
| C23 | C27 | C28 | H21 | 159.7° | 158.6° |
| C24 | C23 | C27 | C30 | 155.8° | 180.0° |
| C24 | C23 | C27 | C28 | 0.2° | 0.1° |
| C23 | C24 | O07 | C25 | 111.9° | 107.9° |
| C23 | C24 | O07 | H16 | 125.5° | 125.5° |
| C23 | C24 | C25 | H16 | 126.2° | 129.2° |
| C23 | C24 | O07 | C28 | 48.6° | 50.6° |
| C23 | C24 | C25 | C26 | 72.5° | 69.6° |
| C23 | C24 | C25 | H17 | 45.9° | 48.6° |
| C23 | C24 | C25 | H18 | 169.1° | 172.2° |
| C27 | C30 | C10 | C06 | 177.5° | 180.0° |
| C27 | C30 | C10 | C09 | 178.6° | 179.7° |
| C27 | C30 | C06 | C07 | 178.5° | 180.0° |
| C30 | C27 | C28 | O07 | 168.6° | 147.8° |
| C30 | C27 | C28 | C26 | 86.1° | 107.5° |
| C30 | C27 | C28 | H21 | 40.5° | 21.3° |
| C27 | C30 | C06 | H22 | 1.5° | 0.0° |
| C27 | C30 | C10 | H23 | 1.4° | 0.0° |
| C28 | C27 | C30 | C10 | 125.7° | 65.0° |
| C28 | C27 | C30 | C06 | 51.8° | 115.0° |
| C27 | C28 | O07 | C24 | 48.8° | 50.6° |
| C27 | C28 | O07 | C26 | 111.2° | 107.9° |
| C27 | C28 | O07 | H21 | 126.5° | 126.0° |
| C27 | C28 | C26 | H21 | 126.5° | 128.9° |
| C27 | C28 | C26 | C25 | 71.8° | 69.6° |
| C27 | C28 | C26 | S01 | 167.1° | 172.2° |
| C27 | C28 | C26 | H19 | 46.1° | 48.5° |
| C30 | C10 | C09 | H23 | 180.0° | 179.8° |
| C30 | C10 | C09 | C08 | 0.8° | 0.3° |
| C10 | C30 | C06 | C07 | 0.8° | 0.0° |
| C30 | C10 | C09 | H6 | 179.2° | 179.7° |
| C10 | C30 | C06 | H22 | 179.2° | 180.0° |
| C09 | C10 | C30 | C06 | 1.0° | 0.3° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.0° |
| C10 | C09 | C08 | C11 | 180.0° | 180.0° |
| C30 | C06 | C07 | H22 | 180.0° | 180.0° |
| C30 | C06 | C07 | C08 | 0.3° | 0.2° |
| C30 | C06 | C07 | H5 | 179.7° | 180.0° |
| C06 | C30 | C10 | H23 | 178.9° | 180.0° |
| O07 | C24 | C25 | H16 | 124.0° | 126.4° |
| C24 | O07 | C28 | C26 | 62.4° | 57.3° |
| O07 | C24 | C25 | C26 | 37.3° | 34.8° |
| O07 | C24 | C25 | H17 | 155.7° | 153.0° |
| O07 | C24 | C25 | H18 | 81.0° | 83.4° |
| C24 | O07 | C28 | H21 | 175.3° | 176.6° |
| C25 | C24 | O07 | C28 | 63.3° | 57.3° |
| C24 | C25 | C26 | C28 | 0.1° | 0.0° |
| C24 | C25 | C26 | H17 | 118.3° | 118.2° |
| C24 | C25 | C26 | H18 | 118.3° | 118.1° |
| C24 | C25 | C26 | S01 | 119.1° | 118.1° |
| C24 | C25 | H17 | H18 | 124.7° | 123.7° |
| C24 | C25 | C26 | H19 | 118.1° | 118.2° |
| C09 | C08 | C07 | C06 | 0.0° | 0.2° |
| C09 | C08 | C07 | C11 | 179.8° | 180.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C09 | C08 | C11 | H8 | 173.3° | 180.0° |
| C08 | C09 | C10 | H23 | 179.2° | 180.0° |
| C09 | C08 | C11 | C1 | 6.7° | 0.0° |
| C06 | C07 | C08 | H5 | 180.0° | 179.8° |
| C06 | C07 | C08 | C11 | 179.8° | 179.7° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C07 | C08 | C11 | H8 | 6.9° | 0.0° |
| C08 | C07 | C06 | H22 | 179.7° | 179.8° |
| C07 | C08 | C11 | C1 | 173.1° | 180.0° |
| C11 | C08 | C07 | H5 | 0.2° | 0.1° |
| C11 | C08 | C09 | H6 | 0.0° | 0.0° |
| C08 | C11 | H8 | C1 | 179.9° | 180.0° |
| C08 | C11 | C1 | C2 | 90.0° | 180.0° |
| C08 | C11 | C1 | H9 | 90.0° | 0.1° |
| O07 | C28 | C26 | H21 | 124.0° | 126.7° |
| O07 | C28 | C26 | C25 | 37.6° | 34.8° |
| O07 | C28 | C26 | S01 | 83.5° | 83.4° |
| C28 | O07 | C24 | H16 | 174.1° | 176.1° |
| O07 | C28 | C26 | H19 | 155.5° | 152.9° |
| C28 | C26 | C25 | S01 | 119.2° | 118.2° |
| C28 | C26 | C25 | H19 | 118.0° | 118.2° |
| C28 | C26 | S01 | H19 | 122.7° | 123.8° |
| C28 | C26 | S01 | O05 | 43.4° | 58.4° |
| C28 | C26 | S01 | O02 | 65.0° | 169.9° |
| C28 | C26 | S01 | O06 | 175.2° | 78.4° |
| C28 | C26 | C25 | H17 | 118.2° | 118.2° |
| C28 | C26 | C25 | H18 | 118.5° | 118.2° |
| C25 | C26 | S01 | H19 | 124.4° | 123.7° |
| C25 | C26 | S01 | O05 | 69.6° | 54.2° |
| C25 | C26 | S01 | O02 | 177.9° | 57.4° |
| C25 | C26 | S01 | O06 | 71.9° | 169.1° |
| C26 | C25 | C24 | H16 | 161.3° | 161.1° |
| C26 | C25 | H17 | H18 | 124.7° | 123.7° |
| C25 | C26 | C28 | H21 | 161.6° | 161.5° |
| C26 | S01 | O05 | O02 | 111.1° | 111.7° |
| C26 | S01 | O05 | O06 | 136.8° | 131.5° |
| C26 | S01 | O02 | O06 | 116.7° | 116.1° |
| C26 | S01 | O02 | C13 | 152.7° | 74.6° |
| S01 | C26 | C25 | H17 | 122.6° | 123.7° |
| S01 | C26 | C25 | H18 | 0.7° | 0.0° |
| S01 | C26 | C28 | H21 | 40.5° | 43.3° |
| O05 | S01 | O02 | O06 | 126.7° | 127.9° |
| O05 | S01 | O02 | C13 | 36.1° | 169.4° |
| O05 | S01 | C26 | H19 | 166.0° | 177.8° |
| S01 | O02 | C13 | C14 | 163.1° | 90.4° |
| S01 | O02 | C13 | C18 | 18.7° | 89.9° |
| O02 | S01 | C26 | H19 | 57.7° | 66.3° |
| O06 | S01 | O02 | C13 | 90.6° | 41.5° |
| O06 | S01 | C26 | H19 | 52.5° | 45.4° |
| O02 | C13 | C14 | C18 | 178.4° | 179.7° |
| O02 | C13 | C14 | C15 | 178.9° | 179.7° |
| O02 | C13 | C18 | C17 | 179.1° | 179.7° |
| O02 | C13 | C14 | H11 | 1.1° | 0.3° |
| O02 | C13 | C18 | H14 | 0.9° | 0.3° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.8° | 0.0° |
| C13 | C14 | C15 | CL1 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C18 | H14 | 179.1° | 180.0° |
| C18 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C18 | C17 | H14 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.6° | 0.0° |
| C18 | C13 | C14 | H11 | 179.5° | 180.0° |
| C13 | C18 | C17 | H13 | 179.5° | 179.9° |
| C14 | C15 | CL1 | C16 | 179.8° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C14 | C15 | C16 | H12 | 179.6° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | H12 | 179.9° | 180.0° |
| CL1 | C15 | C16 | C17 | 179.8° | 180.0° |
| CL1 | C15 | C14 | H11 | 0.1° | 0.1° |
| CL1 | C15 | C16 | H12 | 0.2° | 0.1° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | H11 | 179.9° | 180.0° |
| C15 | C16 | C17 | H13 | 179.9° | 180.0° |
| C16 | C17 | C18 | H14 | 179.4° | 180.0° |
| H1 | C01 | C02 | H2 | 0.3° | 0.3° |
| H3 | C04 | C05 | H4 | 0.6° | 0.1° |
| H5 | C07 | C06 | H22 | 0.3° | 0.0° |
| H6 | C09 | C10 | H23 | 0.8° | 0.0° |
| H8 | C11 | C1 | C2 | 90.0° | 0.0° |
| H8 | C11 | C1 | H9 | 90.0° | 179.9° |
| H12 | C16 | C17 | H13 | 0.1° | 0.1° |
| H13 | C17 | C18 | H14 | 0.6° | 0.1° |
| H16 | C24 | C25 | H17 | 80.3° | 80.7° |
| H16 | C24 | C25 | H18 | 43.0° | 43.0° |
| H17 | C25 | C26 | H19 | 0.3° | 0.0° |
| H18 | C25 | C26 | H19 | 123.6° | 123.6° |
| H19 | C26 | C28 | H21 | 80.5° | 80.3° |
| C11 | C1 | C2 | H9 | 90.0° | 180.0° |
| C11 | C1 | C2 | C3 | 90.0° | 125.0° |
| C11 | C1 | C2 | H10 | 90.0° | 115.0° |
| C11 | C1 | C2 | H24 | 90.0° | 5.0° |
| C1 | C2 | C3 | H10 | 90.0° | 120.0° |
| C1 | C2 | C3 | H24 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | H10 | H24 | 90.0° | 120.0° |
| C1 | C2 | C3 | H25 | 90.0° | 60.0° |
| C1 | C2 | C3 | H26 | 90.0° | 60.0° |
| C2 | C3 | C4 | H25 | 90.0° | 120.0° |
| C2 | C3 | C4 | H26 | 90.0° | 120.0° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H9 | 90.0° | 55.0° |
| C3 | C2 | H10 | H24 | 90.0° | 120.0° |
| C2 | C3 | H25 | H26 | 90.0° | 120.0° |
| C2 | C3 | C4 | H27 | 90.0° | 60.0° |
| C2 | C3 | C4 | H28 | 90.0° | 60.0° |
| C3 | C4 | C5 | H27 | 90.0° | 120.0° |
| C3 | C4 | C5 | H28 | 90.0° | 120.0° |
| C3 | C4 | C5 | O1 | 90.0° | 180.0° |
| C3 | C4 | C5 | O2 | 90.0° | 0.0° |
| C4 | C3 | C2 | H10 | 90.0° | 60.0° |
| C4 | C3 | C2 | H24 | 90.0° | 60.0° |
| C4 | C3 | H25 | H26 | 90.0° | 120.0° |
| C3 | C4 | H27 | H28 | 90.0° | 120.0° |
| C4 | C5 | O1 | O2 | 90.0° | 180.0° |
| C5 | C4 | C3 | H25 | 90.0° | 59.9° |
| C5 | C4 | C3 | H26 | 90.0° | 60.0° |
| C5 | C4 | H27 | H28 | 90.0° | 120.0° |
| C4 | C5 | O1 | H29 | 90.0° | 180.0° |
| O1 | C5 | C4 | H27 | 90.0° | 60.0° |
| O1 | C5 | C4 | H28 | 90.0° | 60.0° |
| O2 | C5 | C4 | H27 | 90.0° | 120.0° |
| O2 | C5 | C4 | H28 | 90.0° | 120.0° |
| O2 | C5 | O1 | H29 | 90.0° | 0.0° |
| H9 | C1 | C2 | H10 | 90.0° | 65.0° |
| H9 | C1 | C2 | H24 | 90.0° | 175.0° |
| H10 | C2 | C3 | H25 | 90.0° | 180.0° |
| H10 | C2 | C3 | H26 | 90.0° | 60.0° |
| H24 | C2 | C3 | H25 | 90.0° | 60.0° |
| H24 | C2 | C3 | H26 | 90.0° | 180.0° |
| H25 | C3 | C4 | H27 | 90.0° | 180.0° |
| H25 | C3 | C4 | H28 | 90.0° | 60.0° |
| H26 | C3 | C4 | H27 | 90.0° | 60.0° |
| H26 | C3 | C4 | H28 | 90.0° | 180.0° |
