7EV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | S01 | doub | 1.42Å | 1.46Å | |
| O07 | S01 | doub | 1.42Å | 1.46Å | |
| S01 | O06 | sing | 1.52Å | 1.68Å | |
| S01 | C04 | sing | 1.81Å | 1.78Å | |
| C04 | C03 | sing | 1.55Å | 1.55Å | |
| C04 | C06 | sing | 1.56Å | 1.54Å | |
| C03 | C02 | sing | 1.56Å | 1.54Å | |
| C06 | O01 | sing | 1.48Å | 1.41Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | sing | 1.47Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| O03 | C16 | sing | 1.36Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C08 | doub | 1.40Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.34Å | Aromatic |
| C08 | C14 | sing | 1.40Å | 1.35Å | Aromatic |
| C08 | C05 | sing | 1.47Å | 1.35Å | |
| C05 | C01 | doub | 1.36Å | 1.35Å | |
| C01 | C07 | sing | 1.47Å | 1.35Å | |
| C07 | C09 | doub | 1.40Å | 1.35Å | Aromatic |
| C07 | C13 | sing | 1.40Å | 1.35Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.35Å | Aromatic |
| C11 | O02 | sing | 1.36Å | 1.36Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å | |
| O06 | C1 | sing | 1.36Å | 48.64Å | |
| C1 | C2 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C1 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C4 | BR1 | sing | 1.89Å | 0.00Å | |
| O02 | C7 | sing | 1.43Å | 56.07Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | C9 | sing | 1.53Å | 0.00Å | |
| C9 | C19 | sing | 1.53Å | 0.00Å | |
| C19 | C20 | sing | 1.51Å | 0.00Å | |
| C20 | O1 | doub | 1.21Å | 0.00Å | |
| C20 | O2 | sing | 1.34Å | 0.00Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 0.00Å | |
| C3 | H18 | sing | 1.08Å | 0.00Å | |
| C5 | H19 | sing | 1.08Å | 0.00Å | |
| C6 | H20 | sing | 1.08Å | 0.00Å | |
| C7 | H21 | sing | 1.09Å | 0.00Å | |
| C7 | H22 | sing | 1.09Å | 0.00Å | |
| C8 | H23 | sing | 1.09Å | 0.00Å | |
| C8 | H24 | sing | 1.09Å | 0.00Å | |
| C9 | H25 | sing | 1.09Å | 0.00Å | |
| C9 | H26 | sing | 1.09Å | 0.00Å | |
| C19 | H27 | sing | 1.09Å | 0.00Å | |
| C19 | H28 | sing | 1.09Å | 0.00Å | |
| O2 | H31 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | S01 | O07 | 120.5° | 121.0° |
| O08 | S01 | O06 | 96.5° | 104.2° |
| O08 | S01 | C04 | 116.9° | 110.5° |
| O07 | S01 | O06 | 93.7° | 104.3° |
| O07 | S01 | C04 | 113.5° | 110.6° |
| O06 | S01 | C04 | 110.4° | 104.5° |
| S01 | O06 | C1 | 71.2° | 114.0° |
| S01 | C04 | C03 | 115.7° | 110.9° |
| S01 | C04 | C06 | 113.8° | 110.9° |
| S01 | C04 | H5 | 107.7° | 110.9° |
| C03 | C04 | C06 | 98.5° | 101.9° |
| C04 | C03 | C02 | 101.5° | 101.9° |
| C04 | C03 | H3 | 111.4° | 110.9° |
| C03 | C04 | H5 | 110.4° | 110.9° |
| C04 | C03 | H4 | 111.4° | 110.9° |
| C04 | C06 | O01 | 101.9° | 101.5° |
| C04 | C06 | C05 | 104.9° | 106.0° |
| C06 | C04 | H5 | 110.5° | 110.9° |
| C04 | C06 | H7 | 113.8° | 115.6° |
| C03 | C02 | O01 | 101.9° | 101.8° |
| C03 | C02 | C01 | 109.4° | 105.1° |
| C03 | C02 | H2 | 113.6° | 115.6° |
| C02 | C03 | H3 | 111.4° | 111.0° |
| C02 | C03 | H4 | 111.4° | 111.0° |
| O01 | C06 | C05 | 104.8° | 99.9° |
| C06 | O01 | C02 | 95.9° | 96.3° |
| O01 | C06 | H7 | 116.2° | 115.8° |
| C06 | C05 | C08 | 120.3° | 127.0° |
| C06 | C05 | C01 | 103.4° | 105.9° |
| C05 | C06 | H7 | 113.9° | 115.9° |
| O01 | C02 | C01 | 100.9° | 100.7° |
| O01 | C02 | H2 | 116.0° | 115.9° |
| C02 | C01 | C05 | 103.4° | 105.9° |
| C02 | C01 | C07 | 122.2° | 127.0° |
| C01 | C02 | H2 | 113.7° | 115.6° |
| O03 | C16 | C17 | 126.1° | 119.9° |
| O03 | C16 | C15 | 118.4° | 119.9° |
| C16 | O03 | H17 | 109.5° | 114.0° |
| C16 | C17 | C18 | 121.9° | 120.1° |
| C17 | C16 | C15 | 115.5° | 120.2° |
| C16 | C17 | H14 | 119.0° | 119.9° |
| C17 | C18 | C08 | 122.5° | 119.9° |
| C18 | C17 | H14 | 119.1° | 119.9° |
| C17 | C18 | H15 | 118.7° | 120.1° |
| C16 | C15 | C14 | 122.6° | 120.1° |
| C16 | C15 | H13 | 118.7° | 119.9° |
| C18 | C08 | C14 | 115.4° | 119.8° |
| C18 | C08 | C05 | 123.6° | 120.1° |
| C08 | C18 | H15 | 118.8° | 120.1° |
| C15 | C14 | C08 | 122.1° | 119.9° |
| C15 | C14 | H12 | 118.9° | 120.1° |
| C14 | C15 | H13 | 118.7° | 120.0° |
| C14 | C08 | C05 | 121.0° | 120.1° |
| C08 | C14 | H12 | 118.9° | 120.0° |
| C08 | C05 | C01 | 131.4° | 127.0° |
| C05 | C01 | C07 | 133.1° | 127.0° |
| C01 | C07 | C09 | 119.8° | 120.1° |
| C01 | C07 | C13 | 124.0° | 120.1° |
| C09 | C07 | C13 | 116.3° | 119.8° |
| C07 | C09 | C10 | 121.9° | 119.9° |
| C07 | C09 | H8 | 119.1° | 120.0° |
| C07 | C13 | C12 | 122.0° | 119.9° |
| C07 | C13 | H11 | 119.0° | 120.1° |
| C09 | C10 | C11 | 121.5° | 120.1° |
| C10 | C09 | H8 | 119.0° | 120.0° |
| C09 | C10 | H9 | 119.3° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.1° |
| C13 | C12 | H10 | 119.5° | 119.9° |
| C12 | C13 | H11 | 119.0° | 120.1° |
| C10 | C11 | C12 | 117.4° | 120.2° |
| C10 | C11 | O02 | 120.9° | 119.9° |
| C11 | C10 | H9 | 119.3° | 120.0° |
| C12 | C11 | O02 | 121.7° | 119.9° |
| C11 | C12 | H10 | 119.5° | 120.0° |
| C11 | O02 | C7 | 40.3° | 117.0° |
| H3 | C03 | H4 | 109.5° | 110.8° |
| O06 | C1 | C2 | 90.0° | 120.0° |
| O06 | C1 | C5 | 90.0° | 120.1° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | C5 | 90.0° | 119.9° |
| C1 | C2 | H16 | 90.0° | 120.1° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | H16 | 90.0° | 120.0° |
| C2 | C3 | H18 | 90.0° | 120.0° |
| C3 | C4 | C6 | 90.0° | 120.1° |
| C3 | C4 | BR1 | 90.0° | 120.0° |
| C4 | C3 | H18 | 90.0° | 119.9° |
| C1 | C5 | C6 | 90.0° | 120.0° |
| C1 | C5 | H19 | 90.0° | 120.0° |
| C5 | C6 | C4 | 90.0° | 120.0° |
| C6 | C5 | H19 | 90.0° | 120.0° |
| C5 | C6 | H20 | 90.0° | 120.0° |
| C6 | C4 | BR1 | 90.0° | 119.9° |
| C4 | C6 | H20 | 90.0° | 120.0° |
| O02 | C7 | C8 | 90.0° | 109.4° |
| O02 | C7 | H21 | 90.0° | 109.4° |
| O02 | C7 | H22 | 90.0° | 109.5° |
| C7 | C8 | C9 | 90.0° | 109.4° |
| C8 | C7 | H21 | 90.0° | 109.5° |
| C8 | C7 | H22 | 90.0° | 109.5° |
| C7 | C8 | H23 | 90.0° | 109.5° |
| C7 | C8 | H24 | 90.0° | 109.5° |
| C8 | C9 | C19 | 90.0° | 109.4° |
| C9 | C8 | H23 | 90.0° | 109.4° |
| C9 | C8 | H24 | 90.0° | 109.5° |
| C8 | C9 | H25 | 90.0° | 109.4° |
| C8 | C9 | H26 | 90.0° | 109.5° |
| C9 | C19 | C20 | 90.0° | 109.5° |
| C19 | C9 | H25 | 90.0° | 109.5° |
| C19 | C9 | H26 | 90.0° | 109.5° |
| C9 | C19 | H27 | 90.0° | 109.5° |
| C9 | C19 | H28 | 90.0° | 109.5° |
| C19 | C20 | O1 | 90.0° | 120.0° |
| C19 | C20 | O2 | 90.0° | 120.0° |
| C20 | C19 | H27 | 90.0° | 109.4° |
| C20 | C19 | H28 | 90.0° | 109.4° |
| O1 | C20 | O2 | 90.0° | 120.0° |
| C20 | O2 | H31 | 90.0° | 117.0° |
| H21 | C7 | H22 | 90.0° | 109.5° |
| H23 | C8 | H24 | 90.0° | 109.5° |
| H25 | C9 | H26 | 90.0° | 109.5° |
| H27 | C19 | H28 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | S01 | O07 | O06 | 99.8° | 116.7° |
| O08 | S01 | O07 | C04 | 146.0° | 131.6° |
| O08 | S01 | O06 | C04 | 121.9° | 116.1° |
| O08 | S01 | C04 | C03 | 97.9° | 170.3° |
| O08 | S01 | C04 | C06 | 149.1° | 77.2° |
| O08 | S01 | C04 | H5 | 26.2° | 46.5° |
| O08 | S01 | O06 | C1 | 37.5° | 41.5° |
| O07 | S01 | O06 | C04 | 116.8° | 116.1° |
| O07 | S01 | C04 | C03 | 49.4° | 53.0° |
| O07 | S01 | C04 | C06 | 63.7° | 59.6° |
| O07 | S01 | C04 | H5 | 173.5° | 176.7° |
| O07 | S01 | O06 | C1 | 83.7° | 169.3° |
| O06 | S01 | C04 | C03 | 153.2° | 58.7° |
| O06 | S01 | C04 | C06 | 40.1° | 171.2° |
| O06 | S01 | C04 | H5 | 82.7° | 65.0° |
| S01 | O06 | C1 | C2 | 90.0° | 90.7° |
| S01 | O06 | C1 | C5 | 90.0° | 89.6° |
| S01 | C04 | C03 | C06 | 121.6° | 118.2° |
| S01 | C04 | C03 | H5 | 122.7° | 123.7° |
| S01 | C04 | C06 | H5 | 121.3° | 123.7° |
| S01 | C04 | C03 | C02 | 117.9° | 118.1° |
| S01 | C04 | C06 | O01 | 83.7° | 83.6° |
| S01 | C04 | C06 | C05 | 167.3° | 172.5° |
| S01 | C04 | C03 | H3 | 0.7° | 123.7° |
| S01 | C04 | C06 | H7 | 42.1° | 42.6° |
| C04 | S01 | O06 | C1 | 159.4° | 74.6° |
| S01 | C04 | C03 | H4 | 123.4° | 0.0° |
| C03 | C04 | C06 | H5 | 115.6° | 118.1° |
| C04 | C03 | C02 | H3 | 118.7° | 118.2° |
| C04 | C03 | C02 | H4 | 118.7° | 118.2° |
| C03 | C04 | C06 | O01 | 39.3° | 34.6° |
| C03 | C04 | C06 | C05 | 69.7° | 69.3° |
| C04 | C03 | C02 | O01 | 32.8° | 35.0° |
| C04 | C03 | C02 | C01 | 73.4° | 69.6° |
| C04 | C03 | C02 | H2 | 158.3° | 161.6° |
| C04 | C03 | H3 | H4 | 123.7° | 123.7° |
| C03 | C04 | C06 | H7 | 165.2° | 160.8° |
| C06 | C04 | C03 | C02 | 3.7° | 0.0° |
| C04 | C06 | O01 | C05 | 109.1° | 108.7° |
| C04 | C06 | O01 | H7 | 124.2° | 126.1° |
| C04 | C06 | C05 | H7 | 125.0° | 129.7° |
| C04 | C06 | O01 | C02 | 61.7° | 56.8° |
| C04 | C06 | C05 | C08 | 72.4° | 107.6° |
| C04 | C06 | C05 | C01 | 85.5° | 71.2° |
| C06 | C04 | C03 | H3 | 122.4° | 118.2° |
| C06 | C04 | C03 | H4 | 115.0° | 118.2° |
| C03 | C02 | O01 | C06 | 58.3° | 56.9° |
| C03 | C02 | O01 | C01 | 112.7° | 108.1° |
| C03 | C02 | O01 | H2 | 123.9° | 126.3° |
| C03 | C02 | C01 | H2 | 128.2° | 128.8° |
| C03 | C02 | C01 | C05 | 63.5° | 73.6° |
| C03 | C02 | C01 | C07 | 128.0° | 106.7° |
| C02 | C03 | H3 | H4 | 123.7° | 123.8° |
| C02 | C03 | C04 | H5 | 119.4° | 118.1° |
| O01 | C06 | C05 | H7 | 128.1° | 125.2° |
| C06 | O01 | C02 | C01 | 54.4° | 51.2° |
| O01 | C06 | C05 | C08 | 179.3° | 147.3° |
| O01 | C06 | C05 | C01 | 21.4° | 33.9° |
| C06 | O01 | C02 | H2 | 177.8° | 176.8° |
| O01 | C06 | C04 | H5 | 155.0° | 152.7° |
| C05 | C06 | O01 | C02 | 47.4° | 51.9° |
| C06 | C05 | C01 | C02 | 12.6° | 1.5° |
| C06 | C05 | C08 | C18 | 122.7° | 66.1° |
| C06 | C05 | C08 | C14 | 56.1° | 113.5° |
| C06 | C05 | C08 | C01 | 150.8° | 178.5° |
| C06 | C05 | C01 | C07 | 154.1° | 178.8° |
| C05 | C06 | C04 | H5 | 46.0° | 48.8° |
| O01 | C02 | C01 | H2 | 124.9° | 125.8° |
| O01 | C02 | C01 | C05 | 43.4° | 31.9° |
| O01 | C02 | C01 | C07 | 125.1° | 147.8° |
| O01 | C02 | C03 | H3 | 85.9° | 153.2° |
| C02 | O01 | C06 | H7 | 174.1° | 177.1° |
| O01 | C02 | C03 | H4 | 151.5° | 83.2° |
| C02 | C01 | C05 | C08 | 141.8° | 179.7° |
| C02 | C01 | C05 | C07 | 166.7° | 179.7° |
| C02 | C01 | C07 | C09 | 15.1° | 115.0° |
| C02 | C01 | C07 | C13 | 164.8° | 64.7° |
| C01 | C02 | C03 | H3 | 167.9° | 48.5° |
| C01 | C02 | C03 | H4 | 45.3° | 172.2° |
| O03 | C16 | C17 | C15 | 180.0° | 180.0° |
| O03 | C16 | C17 | C18 | 179.9° | 179.7° |
| O03 | C16 | C15 | C14 | 179.9° | 180.0° |
| O03 | C16 | C15 | H13 | 0.0° | 0.0° |
| O03 | C16 | C17 | H14 | 0.1° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C16 | C17 | C18 | C08 | 0.3° | 0.6° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 179.7° | 180.0° |
| C17 | C16 | O03 | H17 | 180.0° | 90.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C18 | C08 | H15 | 180.0° | 179.4° |
| C17 | C18 | C08 | C14 | 0.5° | 0.6° |
| C17 | C18 | C08 | C05 | 179.5° | 179.7° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C08 | 0.3° | 0.1° |
| C16 | C15 | C14 | H12 | 179.7° | 179.9° |
| C15 | C16 | C17 | H14 | 179.9° | 180.0° |
| C15 | C16 | O03 | H17 | 0.0° | 90.0° |
| C18 | C08 | C14 | C15 | 0.5° | 0.4° |
| C18 | C08 | C14 | C05 | 179.0° | 179.6° |
| C18 | C08 | C05 | C01 | 28.1° | 115.3° |
| C18 | C08 | C14 | H12 | 179.5° | 179.8° |
| C08 | C18 | C17 | H14 | 179.7° | 179.7° |
| C15 | C14 | C08 | H12 | 180.0° | 179.8° |
| C15 | C14 | C08 | C05 | 179.5° | 180.0° |
| C14 | C08 | C05 | C01 | 153.0° | 65.0° |
| C08 | C14 | C15 | H13 | 179.7° | 180.0° |
| C14 | C08 | C18 | H15 | 179.5° | 180.0° |
| C08 | C05 | C01 | C07 | 51.6° | 0.1° |
| C08 | C05 | C06 | H7 | 52.6° | 22.1° |
| C05 | C08 | C14 | H12 | 0.5° | 0.2° |
| C05 | C08 | C18 | H15 | 0.6° | 0.3° |
| C05 | C01 | C07 | C09 | 179.7° | 64.7° |
| C05 | C01 | C07 | C13 | 0.2° | 115.6° |
| C05 | C01 | C02 | H2 | 168.4° | 157.7° |
| C01 | C05 | C06 | H7 | 149.4° | 159.1° |
| C01 | C07 | C09 | C13 | 179.9° | 179.7° |
| C01 | C07 | C09 | C10 | 179.9° | 180.0° |
| C01 | C07 | C13 | C12 | 180.0° | 179.7° |
| C07 | C01 | C02 | H2 | 0.2° | 22.0° |
| C01 | C07 | C13 | H11 | 0.0° | 0.1° |
| C01 | C07 | C09 | H8 | 0.1° | 0.1° |
| C07 | C09 | C10 | H8 | 180.0° | 180.0° |
| C09 | C07 | C13 | C12 | 0.1° | 0.6° |
| C07 | C09 | C10 | C11 | 0.0° | 0.0° |
| C09 | C07 | C13 | H11 | 179.9° | 179.7° |
| C07 | C09 | C10 | H9 | 180.0° | 179.9° |
| C13 | C07 | C09 | C10 | 0.0° | 0.3° |
| C07 | C13 | C12 | H11 | 180.0° | 179.7° |
| C07 | C13 | C12 | C11 | 0.1° | 0.6° |
| C07 | C13 | C12 | H10 | 179.8° | 179.7° |
| C13 | C07 | C09 | H8 | 180.0° | 179.7° |
| C09 | C10 | C11 | H9 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C09 | C10 | C11 | O02 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H10 | 180.0° | 179.6° |
| C13 | C12 | C11 | O02 | 179.9° | 179.7° |
| C10 | C11 | C12 | O02 | 179.8° | 180.0° |
| C10 | C11 | C12 | H10 | 179.8° | 180.0° |
| C10 | C11 | O02 | C7 | 32.8° | 180.0° |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H11 | 179.9° | 179.7° |
| C12 | C11 | O02 | C7 | 147.0° | 0.0° |
| C12 | C11 | C10 | H9 | 179.9° | 179.9° |
| O02 | C11 | C12 | H10 | 0.0° | 0.0° |
| C11 | O02 | C7 | C8 | 90.0° | 180.0° |
| O02 | C11 | C10 | H9 | 0.1° | 0.1° |
| C11 | O02 | C7 | H21 | 90.0° | 60.0° |
| C11 | O02 | C7 | H22 | 90.0° | 60.0° |
| H2 | C02 | C03 | H3 | 39.6° | 80.3° |
| H2 | C02 | C03 | H4 | 83.0° | 43.4° |
| H3 | C03 | C04 | H5 | 121.9° | 0.1° |
| H5 | C04 | C06 | H7 | 79.2° | 81.1° |
| H5 | C04 | C03 | H4 | 0.7° | 123.7° |
| H10 | C12 | C13 | H11 | 0.2° | 0.1° |
| H12 | C14 | C15 | H13 | 0.3° | 0.1° |
| H14 | C17 | C18 | H15 | 0.3° | 0.3° |
| O06 | C1 | C2 | C5 | 90.0° | 179.7° |
| O06 | C1 | C2 | C3 | 90.0° | 180.0° |
| O06 | C1 | C5 | C6 | 90.0° | 179.7° |
| O06 | C1 | C2 | H16 | 90.0° | 0.0° |
| O06 | C1 | C5 | H19 | 90.0° | 0.0° |
| C1 | C2 | C3 | H16 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C5 | C6 | 90.0° | 0.6° |
| C1 | C2 | C3 | H18 | 90.0° | 180.0° |
| C2 | C1 | C5 | H19 | 90.0° | 179.7° |
| C2 | C3 | C4 | H18 | 90.0° | 180.0° |
| C3 | C2 | C1 | C5 | 90.0° | 0.3° |
| C2 | C3 | C4 | C6 | 90.0° | 0.1° |
| C2 | C3 | C4 | BR1 | 90.0° | 180.0° |
| C3 | C4 | C6 | C5 | 90.0° | 0.4° |
| C3 | C4 | C6 | BR1 | 90.0° | 180.0° |
| C4 | C3 | C2 | H16 | 90.0° | 180.0° |
| C3 | C4 | C6 | H20 | 90.0° | 179.8° |
| C1 | C5 | C6 | H19 | 90.0° | 179.6° |
| C1 | C5 | C6 | C4 | 90.0° | 0.6° |
| C5 | C1 | C2 | H16 | 90.0° | 179.7° |
| C1 | C5 | C6 | H20 | 90.0° | 180.0° |
| C5 | C6 | C4 | H20 | 90.0° | 179.4° |
| C5 | C6 | C4 | BR1 | 90.0° | 179.7° |
| C6 | C4 | C3 | H18 | 90.0° | 179.9° |
| C4 | C6 | C5 | H19 | 90.0° | 179.7° |
| BR1 | C4 | C3 | H18 | 90.0° | 0.0° |
| BR1 | C4 | C6 | H20 | 90.0° | 0.3° |
| O02 | C7 | C8 | H21 | 90.0° | 119.9° |
| O02 | C7 | C8 | H22 | 90.0° | 120.0° |
| O02 | C7 | C8 | C9 | 90.0° | 180.0° |
| O02 | C7 | H21 | H22 | 90.0° | 120.0° |
| O02 | C7 | C8 | H23 | 90.0° | 60.1° |
| O02 | C7 | C8 | H24 | 90.0° | 60.0° |
| C7 | C8 | C9 | H23 | 90.0° | 120.0° |
| C7 | C8 | C9 | H24 | 90.0° | 120.0° |
| C7 | C8 | C9 | C19 | 90.0° | 180.0° |
| C8 | C7 | H21 | H22 | 90.0° | 120.0° |
| C7 | C8 | H23 | H24 | 90.0° | 120.0° |
| C7 | C8 | C9 | H25 | 90.0° | 60.1° |
| C7 | C8 | C9 | H26 | 90.0° | 59.9° |
| C8 | C9 | C19 | H25 | 90.0° | 119.9° |
| C8 | C9 | C19 | H26 | 90.0° | 120.0° |
| C8 | C9 | C19 | C20 | 90.0° | 180.0° |
| C9 | C8 | C7 | H21 | 90.0° | 60.1° |
| C9 | C8 | C7 | H22 | 90.0° | 60.0° |
| C9 | C8 | H23 | H24 | 90.0° | 120.0° |
| C8 | C9 | H25 | H26 | 90.0° | 120.0° |
| C8 | C9 | C19 | H27 | 90.0° | 60.1° |
| C8 | C9 | C19 | H28 | 90.0° | 60.0° |
| C9 | C19 | C20 | H27 | 90.0° | 120.0° |
| C9 | C19 | C20 | H28 | 90.0° | 120.0° |
| C9 | C19 | C20 | O1 | 90.0° | 0.0° |
| C9 | C19 | C20 | O2 | 90.0° | 180.0° |
| C19 | C9 | C8 | H23 | 90.0° | 60.0° |
| C19 | C9 | C8 | H24 | 90.0° | 60.0° |
| C19 | C9 | H25 | H26 | 90.0° | 120.1° |
| C9 | C19 | H27 | H28 | 90.0° | 120.1° |
| C19 | C20 | O1 | O2 | 90.0° | 180.0° |
| C20 | C19 | C9 | H25 | 90.0° | 60.1° |
| C20 | C19 | C9 | H26 | 90.0° | 60.0° |
| C20 | C19 | H27 | H28 | 90.0° | 119.9° |
| C19 | C20 | O2 | H31 | 90.0° | 179.9° |
| O1 | C20 | C19 | H27 | 90.0° | 120.0° |
| O1 | C20 | C19 | H28 | 90.0° | 120.0° |
| O1 | C20 | O2 | H31 | 90.0° | 0.1° |
| O2 | C20 | C19 | H27 | 90.0° | 60.0° |
| O2 | C20 | C19 | H28 | 90.0° | 60.0° |
| H8 | C09 | C10 | H9 | 0.0° | 0.0° |
| H16 | C2 | C3 | H18 | 90.0° | 0.0° |
| H19 | C5 | C6 | H20 | 90.0° | 0.3° |
| H21 | C7 | C8 | H23 | 90.0° | 180.0° |
| H21 | C7 | C8 | H24 | 90.0° | 59.9° |
| H22 | C7 | C8 | H23 | 90.0° | 59.9° |
| H22 | C7 | C8 | H24 | 90.0° | 180.0° |
| H23 | C8 | C9 | H25 | 90.0° | 180.0° |
| H23 | C8 | C9 | H26 | 90.0° | 60.0° |
| H24 | C8 | C9 | H25 | 90.0° | 59.9° |
| H24 | C8 | C9 | H26 | 90.0° | 179.9° |
| H25 | C9 | C19 | H27 | 90.0° | 180.0° |
| H25 | C9 | C19 | H28 | 90.0° | 59.9° |
| H26 | C9 | C19 | H27 | 90.0° | 60.0° |
| H26 | C9 | C19 | H28 | 90.0° | 180.0° |
