05G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | S02 | doub | 1.42Å | 1.46Å | |
| O05 | S02 | doub | 1.42Å | 1.47Å | |
| S02 | O07 | sing | 1.52Å | 1.47Å | |
| S02 | C17 | sing | 1.76Å | 1.81Å | |
| C17 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C09 | doub | 1.46Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | N02 | sing | 1.36Å | 1.46Å | |
| C10 | O08 | sing | 1.36Å | 1.40Å | |
| N02 | N01 | doub | 1.29Å | 1.41Å | |
| N01 | C04 | sing | 1.36Å | 1.45Å | |
| C03 | C04 | doub | 1.40Å | 1.31Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.53Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.52Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C07 | doub | 1.38Å | 1.33Å | Aromatic |
| C05 | O04 | sing | 1.36Å | 1.40Å | |
| C05 | C06 | doub | 1.39Å | 1.32Å | Aromatic |
| O04 | C08 | sing | 1.43Å | 1.40Å | |
| C07 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
| C07 | S01 | sing | 1.76Å | 1.82Å | |
| O03 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | O01 | doub | 1.42Å | 1.47Å | |
| S01 | O02 | sing | 1.52Å | 1.47Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| O08 | H14 | sing | 0.97Å | 0.95Å | |
| O02 | H15 | sing | 0.97Å | 0.95Å | |
| O07 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | S02 | O05 | 105.7° | 123.2° |
| O06 | S02 | O07 | 104.8° | 106.4° |
| O06 | S02 | C17 | 115.1° | 106.4° |
| O05 | S02 | O07 | 103.3° | 106.4° |
| O05 | S02 | C17 | 115.0° | 106.4° |
| O07 | S02 | C17 | 111.7° | 107.2° |
| S02 | O07 | H16 | 109.5° | 114.0° |
| S02 | C17 | C18 | 124.1° | 119.5° |
| S02 | C17 | C16 | 116.4° | 119.5° |
| C18 | C17 | C16 | 119.5° | 121.0° |
| C17 | C18 | C13 | 118.9° | 119.6° |
| C17 | C18 | H13 | 120.5° | 120.2° |
| C17 | C16 | C15 | 122.7° | 120.9° |
| C17 | C16 | H12 | 118.7° | 119.5° |
| C18 | C13 | C12 | 120.5° | 121.2° |
| C18 | C13 | C14 | 120.6° | 119.2° |
| C13 | C18 | H13 | 120.5° | 120.2° |
| C16 | C15 | C14 | 118.2° | 119.7° |
| C16 | C15 | H11 | 120.9° | 120.2° |
| C15 | C16 | H12 | 118.6° | 119.6° |
| C12 | C13 | C14 | 119.0° | 119.6° |
| C13 | C12 | C11 | 118.9° | 120.8° |
| C13 | C12 | H1 | 120.5° | 119.6° |
| C13 | C14 | C15 | 120.1° | 119.6° |
| C13 | C14 | C09 | 121.8° | 118.9° |
| C12 | C11 | C10 | 122.7° | 121.8° |
| C11 | C12 | H1 | 120.6° | 119.6° |
| C12 | C11 | H2 | 118.7° | 119.1° |
| C15 | C14 | C09 | 118.1° | 121.5° |
| C14 | C15 | H11 | 120.9° | 120.1° |
| C14 | C09 | C10 | 118.7° | 118.6° |
| C14 | C09 | N02 | 118.8° | 120.7° |
| C11 | C10 | C09 | 119.0° | 120.4° |
| C11 | C10 | O08 | 119.4° | 119.8° |
| C10 | C11 | H2 | 118.7° | 119.1° |
| C10 | C09 | N02 | 122.5° | 120.7° |
| C09 | C10 | O08 | 121.6° | 119.8° |
| C09 | N02 | N01 | 123.1° | 120.0° |
| C10 | O08 | H14 | 109.5° | 114.0° |
| N02 | N01 | C04 | 119.3° | 120.0° |
| N01 | C04 | C03 | 121.1° | 120.2° |
| N01 | C04 | C05 | 118.5° | 120.2° |
| C04 | C03 | C02 | 120.3° | 119.9° |
| C03 | C04 | C05 | 120.3° | 119.6° |
| C04 | C03 | H6 | 119.8° | 120.1° |
| C03 | C02 | C01 | 117.3° | 119.9° |
| C03 | C02 | C07 | 119.7° | 120.3° |
| C02 | C03 | H6 | 119.8° | 120.0° |
| C04 | C05 | O04 | 117.8° | 120.2° |
| C04 | C05 | C06 | 119.7° | 119.7° |
| C01 | C02 | C07 | 123.0° | 119.9° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.4° |
| C02 | C07 | C06 | 119.3° | 120.4° |
| C02 | C07 | S01 | 123.9° | 119.8° |
| O04 | C05 | C06 | 122.5° | 120.1° |
| C05 | O04 | C08 | 115.4° | 117.0° |
| C05 | C06 | C07 | 120.6° | 120.1° |
| C05 | C06 | H7 | 119.7° | 119.9° |
| O04 | C08 | H8 | 109.5° | 109.4° |
| O04 | C08 | H9 | 109.5° | 109.5° |
| O04 | C08 | H10 | 109.4° | 109.4° |
| C06 | C07 | S01 | 116.8° | 119.8° |
| C07 | C06 | H7 | 119.7° | 120.0° |
| C07 | S01 | O03 | 113.5° | 106.4° |
| C07 | S01 | O01 | 117.7° | 106.4° |
| C07 | S01 | O02 | 113.4° | 107.3° |
| O03 | S01 | O01 | 104.2° | 123.1° |
| O03 | S01 | O02 | 103.4° | 106.4° |
| O01 | S01 | O02 | 103.1° | 106.4° |
| S01 | O02 | H15 | 109.5° | 114.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | S02 | O05 | O07 | 109.9° | 122.9° |
| O06 | S02 | O05 | C17 | 128.1° | 123.0° |
| O06 | S02 | O07 | C17 | 125.3° | 113.6° |
| O06 | S02 | C17 | C18 | 2.7° | 23.5° |
| O06 | S02 | C17 | C16 | 177.6° | 156.1° |
| O06 | S02 | O07 | H16 | 110.5° | 66.4° |
| O05 | S02 | O07 | C17 | 124.2° | 113.5° |
| O05 | S02 | C17 | C18 | 120.6° | 156.5° |
| O05 | S02 | C17 | C16 | 59.2° | 23.1° |
| O05 | S02 | O07 | H16 | 0.0° | 66.5° |
| O07 | S02 | C17 | C18 | 122.1° | 90.0° |
| O07 | S02 | C17 | C16 | 58.2° | 90.4° |
| S02 | C17 | C18 | C16 | 179.7° | 179.5° |
| S02 | C17 | C18 | C13 | 179.9° | 180.0° |
| S02 | C17 | C16 | C15 | 179.0° | 179.8° |
| S02 | C17 | C16 | H12 | 1.0° | 0.2° |
| S02 | C17 | C18 | H13 | 0.2° | 0.5° |
| C17 | S02 | O07 | H16 | 124.2° | 180.0° |
| C17 | C18 | C13 | H13 | 180.0° | 179.5° |
| C18 | C17 | C16 | C15 | 1.2° | 0.2° |
| C17 | C18 | C13 | C12 | 179.8° | 179.8° |
| C17 | C18 | C13 | C14 | 0.1° | 0.5° |
| C18 | C17 | C16 | H12 | 178.8° | 179.8° |
| C16 | C17 | C18 | C13 | 0.4° | 0.5° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.0° |
| C17 | C16 | C15 | H11 | 178.6° | 180.0° |
| C16 | C17 | C18 | H13 | 179.6° | 180.0° |
| C18 | C13 | C12 | C14 | 179.9° | 179.7° |
| C18 | C13 | C12 | C11 | 179.8° | 179.7° |
| C18 | C13 | C14 | C15 | 0.1° | 0.2° |
| C18 | C13 | C14 | C09 | 179.8° | 179.7° |
| C18 | C13 | C12 | H1 | 0.1° | 0.3° |
| C16 | C15 | C14 | C13 | 0.9° | 0.0° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C09 | 179.1° | 179.9° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 179.9° |
| C12 | C13 | C14 | C09 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H2 | 179.7° | 179.9° |
| C12 | C13 | C18 | H13 | 0.2° | 0.3° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C14 | C15 | C09 | 179.9° | 179.9° |
| C13 | C14 | C09 | C10 | 0.3° | 0.0° |
| C13 | C14 | C09 | N02 | 179.5° | 180.0° |
| C14 | C13 | C12 | H1 | 179.7° | 180.0° |
| C13 | C14 | C15 | H11 | 179.2° | 180.0° |
| C14 | C13 | C18 | H13 | 179.9° | 180.0° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C12 | C11 | C10 | O08 | 179.8° | 180.0° |
| C15 | C14 | C09 | C10 | 179.7° | 179.9° |
| C15 | C14 | C09 | N02 | 0.6° | 0.1° |
| C14 | C15 | C16 | H12 | 178.6° | 180.0° |
| C14 | C09 | C10 | C11 | 0.3° | 0.0° |
| C14 | C09 | C10 | N02 | 179.1° | 180.0° |
| C14 | C09 | C10 | O08 | 179.9° | 180.0° |
| C14 | C09 | N02 | N01 | 152.1° | 180.0° |
| C09 | C14 | C15 | H11 | 0.9° | 0.1° |
| C11 | C10 | C09 | O08 | 179.8° | 180.0° |
| C11 | C10 | C09 | N02 | 179.4° | 180.0° |
| C10 | C11 | C12 | H1 | 179.7° | 180.0° |
| C11 | C10 | O08 | H14 | 180.0° | 90.0° |
| C10 | C09 | N02 | N01 | 28.8° | 0.0° |
| C09 | C10 | C11 | H2 | 180.0° | 180.0° |
| C09 | C10 | O08 | H14 | 0.1° | 90.0° |
| N02 | C09 | C10 | O08 | 0.8° | 0.0° |
| C09 | N02 | N01 | C04 | 170.7° | 180.0° |
| O08 | C10 | C11 | H2 | 0.2° | 0.1° |
| N02 | N01 | C04 | C03 | 0.5° | 0.1° |
| N02 | N01 | C04 | C05 | 179.3° | 180.0° |
| N01 | C04 | C03 | C05 | 179.8° | 179.9° |
| N01 | C04 | C03 | C02 | 179.8° | 180.0° |
| N01 | C04 | C05 | O04 | 0.2° | 0.0° |
| N01 | C04 | C05 | C06 | 179.9° | 179.9° |
| N01 | C04 | C03 | H6 | 0.2° | 0.1° |
| C04 | C03 | C02 | H6 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 180.0° | 179.9° |
| C04 | C03 | C02 | C07 | 0.2° | 0.2° |
| C03 | C04 | C05 | O04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C07 | 179.8° | 179.7° |
| C03 | C02 | C07 | C06 | 0.2° | 0.5° |
| C03 | C02 | C07 | S01 | 179.8° | 179.7° |
| C03 | C02 | C01 | H3 | 89.9° | 95.8° |
| C03 | C02 | C01 | H4 | 150.1° | 24.2° |
| C03 | C02 | C01 | H5 | 30.1° | 144.1° |
| C04 | C05 | O04 | C06 | 179.9° | 179.9° |
| C04 | C05 | O04 | C08 | 177.6° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.3° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | H7 | 179.9° | 180.0° |
| C01 | C02 | C07 | C06 | 180.0° | 179.8° |
| C01 | C02 | C07 | S01 | 0.5° | 0.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C01 | C02 | C03 | H6 | 0.1° | 0.0° |
| C02 | C07 | C06 | C05 | 0.1° | 0.5° |
| C02 | C07 | C06 | S01 | 179.6° | 179.8° |
| C02 | C07 | S01 | O03 | 106.4° | 83.7° |
| C02 | C07 | S01 | O01 | 15.6° | 143.5° |
| C02 | C07 | S01 | O02 | 136.0° | 29.9° |
| C07 | C02 | C01 | H3 | 89.9° | 83.9° |
| C07 | C02 | C01 | H4 | 30.1° | 156.1° |
| C07 | C02 | C01 | H5 | 150.1° | 36.1° |
| C07 | C02 | C03 | H6 | 179.8° | 179.8° |
| C02 | C07 | C06 | H7 | 179.9° | 179.8° |
| O04 | C05 | C06 | C07 | 180.0° | 179.8° |
| O04 | C05 | C06 | H7 | 0.0° | 0.1° |
| C05 | O04 | C08 | H8 | 180.0° | 60.0° |
| C05 | O04 | C08 | H9 | 60.0° | 180.0° |
| C05 | O04 | C08 | H10 | 60.0° | 60.0° |
| C06 | C05 | O04 | C08 | 2.3° | 0.1° |
| C05 | C06 | C07 | H7 | 180.0° | 179.7° |
| C05 | C06 | C07 | S01 | 179.7° | 179.7° |
| O04 | C08 | H8 | H9 | 120.0° | 120.0° |
| O04 | C08 | H8 | H10 | 120.0° | 120.0° |
| O04 | C08 | H9 | H10 | 120.0° | 120.0° |
| C06 | C07 | S01 | O03 | 73.2° | 96.1° |
| C06 | C07 | S01 | O01 | 164.8° | 36.7° |
| C06 | C07 | S01 | O02 | 44.4° | 150.3° |
| C07 | S01 | O03 | O01 | 129.2° | 122.9° |
| C07 | S01 | O03 | O02 | 123.3° | 114.1° |
| C07 | S01 | O01 | O02 | 125.6° | 114.2° |
| S01 | C07 | C06 | H7 | 0.3° | 0.1° |
| C07 | S01 | O02 | H15 | 128.3° | 180.0° |
| O03 | S01 | O01 | O02 | 107.7° | 122.9° |
| O03 | S01 | O02 | H15 | 108.3° | 66.5° |
| O01 | S01 | O02 | H15 | 0.0° | 66.4° |
| H1 | C12 | C11 | H2 | 0.3° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H8 | C08 | H9 | H10 | 120.0° | 120.1° |
| H11 | C15 | C16 | H12 | 1.4° | 0.0° |
