7G5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | S01 | doub | 1.42Å | 1.46Å | |
| S01 | C09 | sing | 1.84Å | 1.46Å | |
| S01 | O03 | doub | 1.42Å | 1.45Å | |
| S01 | C08 | sing | 1.84Å | 1.63Å | |
| C09 | C10 | sing | 1.51Å | 1.33Å | |
| C10 | C11 | sing | 1.47Å | 1.34Å | |
| C10 | C07 | doub | 1.32Å | 1.31Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.34Å | |
| C11 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.36Å | Aromatic |
| C07 | C06 | sing | 1.47Å | 1.29Å | |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | O04 | sing | 1.36Å | 1.34Å | |
| C06 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.36Å | Aromatic |
| C03 | O01 | sing | 1.36Å | 1.33Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| O01 | H3 | sing | 0.97Å | 0.95Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| O04 | H12 | sing | 0.97Å | 0.95Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | S01 | C09 | 113.3° | 109.9° |
| O02 | S01 | O03 | 103.4° | 120.3° |
| O02 | S01 | C08 | 121.5° | 109.8° |
| C09 | S01 | O03 | 118.1° | 109.8° |
| C09 | S01 | C08 | 97.4° | 93.8° |
| S01 | C09 | C10 | 111.6° | 103.2° |
| S01 | C09 | H8 | 108.9° | 110.6° |
| S01 | C09 | H9 | 108.9° | 110.7° |
| O03 | S01 | C08 | 103.7° | 110.1° |
| S01 | C08 | C07 | 106.0° | 103.2° |
| S01 | C08 | H6 | 110.3° | 110.7° |
| S01 | C08 | H7 | 110.3° | 110.8° |
| C09 | C10 | C11 | 121.7° | 121.7° |
| C09 | C10 | C07 | 112.5° | 116.6° |
| C10 | C09 | H8 | 108.9° | 110.6° |
| C10 | C09 | H9 | 108.9° | 110.7° |
| C11 | C10 | C07 | 125.8° | 121.7° |
| C10 | C11 | C12 | 122.5° | 120.1° |
| C10 | C11 | C16 | 120.1° | 120.1° |
| C10 | C07 | C08 | 112.3° | 116.6° |
| C10 | C07 | C06 | 120.1° | 121.7° |
| C11 | C12 | C13 | 122.4° | 120.0° |
| C12 | C11 | C16 | 117.3° | 119.8° |
| C11 | C12 | H10 | 118.8° | 120.0° |
| C12 | C13 | C14 | 118.9° | 120.1° |
| C13 | C12 | H10 | 118.8° | 120.0° |
| C12 | C13 | H11 | 120.5° | 120.0° |
| C08 | C07 | C06 | 126.4° | 121.7° |
| C07 | C08 | H6 | 110.4° | 110.7° |
| C07 | C08 | H7 | 110.3° | 110.7° |
| C11 | C16 | C15 | 121.3° | 119.9° |
| C11 | C16 | H14 | 119.4° | 120.1° |
| C13 | C14 | C15 | 119.5° | 120.2° |
| C13 | C14 | O04 | 120.7° | 119.9° |
| C14 | C13 | H11 | 120.5° | 119.9° |
| C07 | C06 | C05 | 130.9° | 120.1° |
| C07 | C06 | C01 | 109.3° | 120.0° |
| C16 | C15 | C14 | 120.5° | 120.1° |
| C16 | C15 | H13 | 119.7° | 119.9° |
| C15 | C16 | H14 | 119.3° | 120.0° |
| C15 | C14 | O04 | 119.9° | 119.9° |
| C14 | C15 | H13 | 119.7° | 120.0° |
| C14 | O04 | H12 | 109.5° | 114.0° |
| C05 | C06 | C01 | 119.5° | 119.8° |
| C06 | C05 | C04 | 116.9° | 119.9° |
| C06 | C05 | H5 | 121.5° | 120.0° |
| C06 | C01 | C02 | 125.7° | 119.9° |
| C06 | C01 | H1 | 117.1° | 120.1° |
| C05 | C04 | C03 | 122.1° | 120.1° |
| C05 | C04 | H4 | 119.0° | 120.0° |
| C04 | C05 | H5 | 121.6° | 120.1° |
| C01 | C02 | C03 | 115.2° | 120.1° |
| C02 | C01 | H1 | 117.2° | 120.1° |
| C01 | C02 | H2 | 122.4° | 120.0° |
| C04 | C03 | C02 | 120.5° | 120.2° |
| C04 | C03 | O01 | 121.7° | 119.9° |
| C03 | C04 | H4 | 119.0° | 119.9° |
| C02 | C03 | O01 | 117.8° | 119.9° |
| C03 | C02 | H2 | 122.4° | 119.9° |
| C03 | O01 | H3 | 109.5° | 114.0° |
| H6 | C08 | H7 | 109.5° | 110.6° |
| H8 | C09 | H9 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | S01 | C09 | O03 | 121.1° | 134.5° |
| O02 | S01 | C09 | C08 | 129.0° | 112.6° |
| O02 | S01 | O03 | C08 | 127.6° | 129.1° |
| O02 | S01 | C09 | C10 | 133.0° | 90.3° |
| O02 | S01 | C08 | C07 | 124.8° | 90.3° |
| O02 | S01 | C08 | H6 | 115.7° | 28.2° |
| O02 | S01 | C08 | H7 | 5.4° | 151.3° |
| O02 | S01 | C09 | H8 | 12.7° | 28.1° |
| O02 | S01 | C09 | H9 | 106.7° | 151.2° |
| C09 | S01 | O03 | C08 | 106.3° | 101.9° |
| S01 | C09 | C10 | H8 | 120.3° | 118.4° |
| S01 | C09 | C10 | H9 | 120.3° | 118.5° |
| S01 | C09 | C10 | C11 | 176.9° | 163.0° |
| S01 | C09 | C10 | C07 | 5.4° | 16.6° |
| C09 | S01 | C08 | C07 | 1.6° | 22.5° |
| C09 | S01 | C08 | H6 | 121.1° | 140.9° |
| C09 | S01 | C08 | H7 | 117.9° | 96.0° |
| S01 | C09 | H8 | H9 | 119.0° | 123.1° |
| O03 | S01 | C09 | C10 | 105.9° | 135.2° |
| O03 | S01 | C08 | C07 | 119.8° | 135.2° |
| O03 | S01 | C08 | H6 | 0.4° | 106.4° |
| O03 | S01 | C08 | H7 | 120.7° | 16.7° |
| O03 | S01 | C09 | H8 | 133.7° | 106.5° |
| O03 | S01 | C09 | H9 | 14.4° | 16.7° |
| C08 | S01 | C09 | C10 | 4.0° | 22.3° |
| S01 | C08 | C07 | C10 | 1.3° | 17.2° |
| S01 | C08 | C07 | H6 | 119.4° | 118.4° |
| S01 | C08 | C07 | H7 | 119.4° | 118.6° |
| S01 | C08 | C07 | C06 | 168.5° | 163.1° |
| S01 | C08 | H6 | H7 | 121.6° | 123.2° |
| C08 | S01 | C09 | H8 | 116.3° | 140.6° |
| C08 | S01 | C09 | H9 | 124.3° | 96.2° |
| C09 | C10 | C11 | C07 | 177.3° | 179.6° |
| C09 | C10 | C11 | C12 | 113.8° | 115.2° |
| C09 | C10 | C07 | C08 | 4.2° | 0.4° |
| C09 | C10 | C11 | C16 | 62.1° | 65.0° |
| C09 | C10 | C07 | C06 | 172.3° | 179.9° |
| C10 | C09 | H8 | H9 | 119.0° | 123.1° |
| C10 | C11 | C12 | C16 | 176.0° | 179.8° |
| C10 | C11 | C12 | C13 | 177.5° | 180.0° |
| C11 | C10 | C07 | C08 | 178.3° | 179.9° |
| C11 | C10 | C07 | C06 | 10.2° | 0.3° |
| C10 | C11 | C16 | C15 | 177.6° | 179.7° |
| C11 | C10 | C09 | H8 | 62.7° | 44.7° |
| C11 | C10 | C09 | H9 | 56.7° | 78.5° |
| C10 | C11 | C12 | H10 | 2.5° | 0.0° |
| C10 | C11 | C16 | H14 | 2.4° | 0.0° |
| C07 | C10 | C11 | C12 | 63.5° | 65.2° |
| C10 | C07 | C08 | C06 | 167.2° | 179.7° |
| C07 | C10 | C11 | C16 | 120.6° | 114.6° |
| C10 | C07 | C06 | C05 | 75.1° | 114.8° |
| C10 | C07 | C06 | C01 | 97.8° | 65.8° |
| C10 | C07 | C08 | H6 | 118.1° | 135.7° |
| C10 | C07 | C08 | H7 | 120.8° | 101.4° |
| C07 | C10 | C09 | H8 | 114.9° | 135.0° |
| C07 | C10 | C09 | H9 | 125.7° | 101.9° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | C16 | C15 | 1.5° | 0.5° |
| C11 | C12 | C13 | H11 | 179.2° | 180.0° |
| C12 | C11 | C16 | H14 | 178.5° | 179.8° |
| C13 | C12 | C11 | C16 | 1.5° | 0.2° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | O04 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 118.6° | 64.9° |
| C08 | C07 | C06 | C01 | 68.4° | 114.5° |
| C07 | C08 | H6 | H7 | 121.6° | 123.0° |
| C11 | C16 | C15 | H14 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.8° | 0.5° |
| C16 | C11 | C12 | H10 | 178.5° | 179.8° |
| C11 | C16 | C15 | H13 | 179.1° | 179.7° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | O04 | 179.9° | 180.0° |
| C14 | C13 | C12 | H10 | 179.1° | 179.9° |
| C13 | C14 | O04 | H12 | 180.0° | 90.0° |
| C13 | C14 | C15 | H13 | 179.8° | 180.0° |
| C07 | C06 | C05 | C01 | 172.4° | 179.4° |
| C07 | C06 | C05 | C04 | 176.2° | 180.0° |
| C07 | C06 | C01 | C02 | 178.7° | 180.0° |
| C07 | C06 | C01 | H1 | 1.3° | 0.3° |
| C07 | C06 | C05 | H5 | 3.8° | 0.3° |
| C06 | C07 | C08 | H6 | 49.1° | 44.7° |
| C06 | C07 | C08 | H7 | 72.1° | 78.3° |
| C16 | C15 | C14 | H13 | 180.0° | 179.7° |
| C16 | C15 | C14 | O04 | 179.7° | 179.7° |
| C15 | C14 | C13 | H11 | 179.9° | 180.0° |
| C15 | C14 | O04 | H12 | 0.1° | 90.0° |
| C14 | C15 | C16 | H14 | 179.2° | 179.8° |
| O04 | C14 | C13 | H11 | 0.2° | 0.0° |
| O04 | C14 | C15 | H13 | 0.3° | 0.0° |
| C06 | C05 | C04 | H5 | 180.0° | 179.7° |
| C05 | C06 | C01 | C02 | 4.8° | 0.6° |
| C06 | C05 | C04 | C03 | 2.2° | 0.3° |
| C05 | C06 | C01 | H1 | 175.2° | 179.7° |
| C06 | C05 | C04 | H4 | 177.7° | 179.7° |
| C01 | C06 | C05 | C04 | 3.9° | 0.6° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 3.4° | 0.3° |
| C06 | C01 | C02 | H2 | 176.5° | 179.8° |
| C01 | C06 | C05 | H5 | 176.1° | 179.7° |
| C05 | C04 | C03 | H4 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 1.1° | 0.1° |
| C05 | C04 | C03 | O01 | 179.5° | 180.0° |
| C01 | C02 | C03 | C04 | 1.5° | 0.0° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C01 | C02 | C03 | O01 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 178.5° | 179.9° |
| C04 | C03 | C02 | H2 | 178.5° | 180.0° |
| C04 | C03 | O01 | H3 | 180.0° | 90.0° |
| C03 | C04 | C05 | H5 | 177.8° | 180.0° |
| C03 | C02 | C01 | H1 | 176.6° | 180.0° |
| C02 | C03 | O01 | H3 | 1.5° | 89.9° |
| C02 | C03 | C04 | H4 | 178.9° | 180.0° |
| O01 | C03 | C02 | H2 | 0.0° | 0.1° |
| O01 | C03 | C04 | H4 | 0.4° | 0.0° |
| H1 | C01 | C02 | H2 | 3.5° | 0.0° |
| H4 | C04 | C05 | H5 | 2.2° | 0.0° |
| H10 | C12 | C13 | H11 | 0.8° | 0.0° |
| H13 | C15 | C16 | H14 | 0.9° | 0.1° |






