1GV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.36Å | 1.36Å | |
| C01 | C06 | doub | 1.39Å | 1.34Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.35Å | Aromatic |
| C18 | C05 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.36Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
| C04 | C07 | sing | 1.48Å | 1.37Å | |
| C07 | S01 | sing | 1.76Å | 1.48Å | Aromatic |
| C07 | C10 | doub | 1.35Å | 1.34Å | Aromatic |
| S01 | C08 | sing | 1.76Å | 1.48Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | doub | 1.35Å | 1.34Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.37Å | |
| C16 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.34Å | Aromatic |
| C14 | O01 | sing | 1.36Å | 1.36Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| O01 | H9 | sing | 0.97Å | 0.95Å | |
| O02 | H10 | sing | 0.97Å | 0.95Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | C06 | 121.6° | 120.0° |
| O02 | C01 | C02 | 122.8° | 119.8° |
| C01 | O02 | H10 | 109.5° | 114.0° |
| C06 | C01 | C02 | 115.6° | 120.2° |
| C01 | C06 | C05 | 124.0° | 120.1° |
| C01 | C06 | H3 | 118.0° | 119.9° |
| C01 | C02 | C03 | 121.1° | 120.1° |
| C01 | C02 | H1 | 119.5° | 120.0° |
| C06 | C05 | C18 | 114.6° | 120.1° |
| C06 | C05 | C04 | 121.1° | 119.9° |
| C05 | C06 | H3 | 118.0° | 120.0° |
| C18 | C05 | C04 | 124.3° | 120.1° |
| C05 | C18 | H14 | 109.5° | 109.5° |
| C05 | C18 | H15 | 109.5° | 109.4° |
| C05 | C18 | H16 | 109.5° | 109.5° |
| C02 | C03 | C04 | 124.1° | 119.9° |
| C03 | C02 | H1 | 119.5° | 119.9° |
| C02 | C03 | H2 | 118.0° | 120.1° |
| C05 | C04 | C03 | 114.2° | 119.9° |
| C05 | C04 | C07 | 123.8° | 120.1° |
| C03 | C04 | C07 | 122.0° | 120.1° |
| C04 | C03 | H2 | 118.0° | 120.1° |
| C04 | C07 | S01 | 126.3° | 125.2° |
| C04 | C07 | C10 | 129.5° | 125.2° |
| S01 | C07 | C10 | 104.2° | 109.6° |
| C07 | S01 | C08 | 106.4° | 91.1° |
| C07 | C10 | C09 | 112.6° | 114.9° |
| C07 | C10 | H5 | 123.7° | 122.6° |
| S01 | C08 | C09 | 104.2° | 109.6° |
| S01 | C08 | C11 | 130.1° | 125.2° |
| C10 | C09 | C08 | 112.7° | 114.8° |
| C10 | C09 | H4 | 123.6° | 122.6° |
| C09 | C10 | H5 | 123.7° | 122.6° |
| C17 | C16 | C11 | 126.5° | 120.1° |
| C17 | C16 | C15 | 113.4° | 120.1° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.4° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C09 | C08 | C11 | 125.7° | 125.2° |
| C08 | C09 | H4 | 123.7° | 122.6° |
| C08 | C11 | C16 | 128.5° | 120.1° |
| C08 | C11 | C12 | 117.3° | 120.1° |
| C11 | C16 | C15 | 120.1° | 119.9° |
| C16 | C11 | C12 | 114.2° | 119.8° |
| C16 | C15 | C14 | 124.5° | 120.1° |
| C16 | C15 | H8 | 117.7° | 119.9° |
| C11 | C12 | C13 | 124.7° | 119.9° |
| C11 | C12 | H6 | 117.6° | 120.1° |
| C15 | C14 | C13 | 115.7° | 120.2° |
| C15 | C14 | O01 | 121.7° | 119.9° |
| C14 | C15 | H8 | 117.7° | 120.0° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C13 | C12 | H6 | 117.6° | 120.0° |
| C12 | C13 | H7 | 119.6° | 120.0° |
| C13 | C14 | O01 | 122.6° | 119.9° |
| C14 | C13 | H7 | 119.6° | 119.9° |
| C14 | O01 | H9 | 109.5° | 114.0° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | C06 | C02 | 180.0° | 179.7° |
| O02 | C01 | C06 | C05 | 180.0° | 179.7° |
| O02 | C01 | C02 | C03 | 180.0° | 179.8° |
| O02 | C01 | C02 | H1 | 0.0° | 0.3° |
| O02 | C01 | C06 | H3 | 0.1° | 0.3° |
| C01 | C06 | C05 | H3 | 180.0° | 179.9° |
| C01 | C06 | C05 | C18 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.1° |
| C01 | C06 | C05 | C04 | 0.4° | 0.0° |
| C06 | C01 | C02 | H1 | 180.0° | 180.0° |
| C06 | C01 | O02 | H10 | 180.0° | 89.9° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | H1 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | H2 | 179.5° | 179.9° |
| C02 | C01 | C06 | H3 | 179.9° | 180.0° |
| C02 | C01 | O02 | H10 | 0.0° | 89.8° |
| C06 | C05 | C18 | C04 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.0° |
| C06 | C05 | C04 | C07 | 179.1° | 180.0° |
| C06 | C05 | C18 | H14 | 90.2° | 90.0° |
| C06 | C05 | C18 | H15 | 149.8° | 30.0° |
| C06 | C05 | C18 | H16 | 29.9° | 150.0° |
| C18 | C05 | C04 | C03 | 179.6° | 180.0° |
| C18 | C05 | C04 | C07 | 1.2° | 0.1° |
| C18 | C05 | C06 | H3 | 0.0° | 0.1° |
| C05 | C18 | H14 | H15 | 120.0° | 120.0° |
| C05 | C18 | H14 | H16 | 120.0° | 120.0° |
| C05 | C18 | H15 | H16 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 179.2° | 180.0° |
| C05 | C04 | C03 | C07 | 178.3° | 180.0° |
| C05 | C04 | C07 | S01 | 75.5° | 50.0° |
| C05 | C04 | C07 | C10 | 101.9° | 129.7° |
| C05 | C04 | C03 | H2 | 179.1° | 180.0° |
| C04 | C05 | C06 | H3 | 179.6° | 179.9° |
| C04 | C05 | C18 | H14 | 90.2° | 90.0° |
| C04 | C05 | C18 | H15 | 29.8° | 150.0° |
| C04 | C05 | C18 | H16 | 149.8° | 30.0° |
| C03 | C04 | C07 | S01 | 106.4° | 130.0° |
| C03 | C04 | C07 | C10 | 76.3° | 50.3° |
| C04 | C03 | C02 | H1 | 179.5° | 179.9° |
| C04 | C07 | S01 | C10 | 177.9° | 179.8° |
| C04 | C07 | S01 | C08 | 178.7° | 180.0° |
| C04 | C07 | C10 | C09 | 178.6° | 179.7° |
| C07 | C04 | C03 | H2 | 0.8° | 0.0° |
| C04 | C07 | C10 | H5 | 1.4° | 0.0° |
| S01 | C07 | C10 | C09 | 0.8° | 0.5° |
| C07 | S01 | C08 | C09 | 0.6° | 0.0° |
| C07 | S01 | C08 | C11 | 179.9° | 180.0° |
| S01 | C07 | C10 | H5 | 179.2° | 179.7° |
| C10 | C07 | S01 | C08 | 0.8° | 0.2° |
| C07 | C10 | C09 | H5 | 180.0° | 179.8° |
| C07 | C10 | C09 | C08 | 0.5° | 0.5° |
| C07 | C10 | C09 | H4 | 179.5° | 179.8° |
| S01 | C08 | C09 | C10 | 0.1° | 0.3° |
| S01 | C08 | C09 | C11 | 179.6° | 180.0° |
| S01 | C08 | C11 | C16 | 26.7° | 50.3° |
| S01 | C08 | C11 | C12 | 154.6° | 130.1° |
| S01 | C08 | C09 | H4 | 179.9° | 180.0° |
| C10 | C09 | C08 | H4 | 180.0° | 179.6° |
| C10 | C09 | C08 | C11 | 179.7° | 179.7° |
| C17 | C16 | C11 | C08 | 0.9° | 0.1° |
| C17 | C16 | C11 | C15 | 179.8° | 179.7° |
| C17 | C16 | C11 | C12 | 179.6° | 179.7° |
| C17 | C16 | C15 | C14 | 179.9° | 179.7° |
| C17 | C16 | C15 | H8 | 0.1° | 0.0° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | H11 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C09 | C08 | C11 | C16 | 152.7° | 129.7° |
| C09 | C08 | C11 | C12 | 25.9° | 49.9° |
| C08 | C09 | C10 | H5 | 179.5° | 179.7° |
| C08 | C11 | C16 | C12 | 178.7° | 179.6° |
| C08 | C11 | C16 | C15 | 179.3° | 179.7° |
| C08 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | C08 | C09 | H4 | 0.4° | 0.0° |
| C08 | C11 | C12 | H6 | 0.4° | 0.2° |
| C11 | C16 | C15 | C14 | 0.2° | 0.6° |
| C16 | C11 | C12 | C13 | 0.7° | 0.3° |
| C16 | C11 | C12 | H6 | 179.3° | 179.8° |
| C11 | C16 | C15 | H8 | 179.8° | 179.7° |
| C11 | C16 | C17 | H11 | 90.1° | 90.0° |
| C11 | C16 | C17 | H12 | 149.9° | 150.0° |
| C11 | C16 | C17 | H13 | 29.9° | 30.1° |
| C15 | C16 | C11 | C12 | 0.6° | 0.6° |
| C16 | C15 | C14 | H8 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.1° | 0.3° |
| C16 | C15 | C14 | O01 | 180.0° | 179.8° |
| C15 | C16 | C17 | H11 | 90.0° | 89.7° |
| C15 | C16 | C17 | H12 | 29.9° | 30.4° |
| C15 | C16 | C17 | H13 | 149.9° | 150.3° |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C11 | C12 | C13 | H7 | 179.6° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.1° |
| C15 | C14 | C13 | O01 | 180.0° | 179.9° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | O01 | H9 | 180.0° | 90.1° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | O01 | 179.9° | 179.9° |
| C14 | C13 | C12 | H6 | 179.5° | 179.9° |
| C13 | C14 | C15 | H8 | 179.9° | 180.0° |
| C13 | C14 | O01 | H9 | 0.0° | 90.0° |
| O01 | C14 | C13 | H7 | 0.0° | 0.1° |
| O01 | C14 | C15 | H8 | 0.0° | 0.1° |
| H1 | C02 | C03 | H2 | 0.5° | 0.0° |
| H4 | C09 | C10 | H5 | 0.5° | 0.0° |
| H6 | C12 | C13 | H7 | 0.4° | 0.1° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | H15 | H16 | 120.0° | 120.0° |
