YGJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | O06 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| O06 | C05 | sing | 1.36Å | 1.40Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C15 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C07 | C08 | 112.6° | 109.5° |
| C07 | O06 | C05 | 117.0° | 117.0° |
| O06 | C07 | H6 | 108.7° | 109.5° |
| O06 | C07 | H7 | 108.7° | 109.5° |
| C07 | C08 | C09 | 114.3° | 109.5° |
| C08 | C07 | H6 | 108.7° | 109.5° |
| C08 | C07 | H7 | 108.7° | 109.4° |
| C07 | C08 | H8 | 108.3° | 109.4° |
| C07 | C08 | H9 | 108.2° | 109.5° |
| O06 | C05 | C15 | 122.1° | 120.0° |
| O06 | C05 | C04 | 119.0° | 120.0° |
| C13 | C14 | C09 | 120.2° | 120.0° |
| C14 | C13 | C12 | 120.4° | 120.0° |
| C14 | C13 | H2 | 119.8° | 120.0° |
| C13 | C14 | H12 | 119.9° | 120.0° |
| C14 | C09 | C08 | 121.2° | 120.0° |
| C14 | C09 | C10 | 119.0° | 120.0° |
| C09 | C14 | H12 | 119.9° | 120.0° |
| C08 | C09 | C10 | 119.9° | 120.0° |
| C09 | C08 | H8 | 108.2° | 109.5° |
| C09 | C08 | H9 | 108.2° | 109.5° |
| C05 | C15 | C16 | 120.3° | 120.0° |
| C15 | C05 | C04 | 118.8° | 120.0° |
| C05 | C15 | H3 | 119.9° | 120.0° |
| C15 | C16 | C02 | 120.0° | 120.0° |
| C16 | C15 | H3 | 119.8° | 120.0° |
| C15 | C16 | H13 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C12 | C13 | H2 | 119.8° | 120.0° |
| C13 | C12 | H11 | 120.2° | 120.1° |
| C05 | C04 | C03 | 121.0° | 120.0° |
| C05 | C04 | H5 | 119.5° | 120.0° |
| C09 | C10 | C11 | 120.7° | 120.0° |
| C09 | C10 | H1 | 119.6° | 120.0° |
| C16 | C02 | C03 | 119.4° | 120.0° |
| C16 | C02 | O01 | 121.8° | 120.0° |
| C02 | C16 | H13 | 120.0° | 120.0° |
| C04 | C03 | C02 | 120.4° | 120.0° |
| C04 | C03 | H4 | 119.8° | 120.0° |
| C03 | C04 | H5 | 119.5° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | H10 | 120.0° | 120.0° |
| C11 | C12 | H11 | 120.2° | 119.9° |
| C11 | C10 | H1 | 119.6° | 120.0° |
| C10 | C11 | H10 | 119.9° | 120.0° |
| C03 | C02 | O01 | 118.9° | 120.0° |
| C02 | C03 | H4 | 119.8° | 120.0° |
| C02 | O01 | H14 | 109.5° | 114.0° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C07 | C08 | H6 | 120.5° | 120.0° |
| O06 | C07 | C08 | H7 | 120.5° | 120.0° |
| O06 | C07 | C08 | C09 | 51.0° | 180.0° |
| C07 | O06 | C05 | C15 | 41.5° | 179.9° |
| C07 | O06 | C05 | C04 | 141.2° | 0.0° |
| O06 | C07 | H6 | H7 | 118.6° | 120.0° |
| O06 | C07 | C08 | H8 | 171.7° | 60.1° |
| O06 | C07 | C08 | H9 | 69.7° | 59.9° |
| C08 | C07 | O06 | C05 | 84.5° | 180.0° |
| C07 | C08 | C09 | C14 | 87.3° | 90.0° |
| C07 | C08 | C09 | H8 | 120.7° | 119.9° |
| C07 | C08 | C09 | H9 | 120.7° | 120.0° |
| C07 | C08 | C09 | C10 | 92.5° | 90.0° |
| C08 | C07 | H6 | H7 | 118.6° | 120.0° |
| C07 | C08 | H8 | H9 | 117.8° | 120.0° |
| O06 | C05 | C15 | C04 | 177.3° | 180.0° |
| O06 | C05 | C15 | C16 | 179.1° | 180.0° |
| O06 | C05 | C04 | C03 | 179.6° | 180.0° |
| O06 | C05 | C15 | H3 | 0.9° | 0.3° |
| O06 | C05 | C04 | H5 | 0.4° | 0.0° |
| C05 | O06 | C07 | H6 | 155.0° | 60.0° |
| C05 | O06 | C07 | H7 | 35.9° | 60.0° |
| C13 | C14 | C09 | H12 | 180.0° | 179.2° |
| C13 | C14 | C09 | C08 | 179.6° | 179.5° |
| C14 | C13 | C12 | H2 | 180.0° | 179.5° |
| C13 | C14 | C09 | C10 | 0.2° | 0.5° |
| C14 | C13 | C12 | C11 | 0.1° | 0.5° |
| C14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C14 | C09 | C08 | C10 | 179.8° | 180.0° |
| C09 | C14 | C13 | C12 | 0.3° | 0.8° |
| C14 | C09 | C10 | C11 | 0.0° | 0.0° |
| C14 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C14 | C13 | H2 | 179.7° | 179.7° |
| C14 | C09 | C08 | H8 | 33.4° | 150.1° |
| C14 | C09 | C08 | H9 | 152.0° | 30.0° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C08 | C09 | C10 | H1 | 0.2° | 0.3° |
| C09 | C08 | C07 | H6 | 69.5° | 60.0° |
| C09 | C08 | C07 | H7 | 171.5° | 60.0° |
| C09 | C08 | H8 | H9 | 117.8° | 120.0° |
| C08 | C09 | C14 | H12 | 0.4° | 0.3° |
| C05 | C15 | C16 | H3 | 180.0° | 179.7° |
| C05 | C15 | C16 | C02 | 0.3° | 0.0° |
| C15 | C05 | C04 | C03 | 2.2° | 0.0° |
| C15 | C05 | C04 | H5 | 177.8° | 179.9° |
| C05 | C15 | C16 | H13 | 179.7° | 179.9° |
| C16 | C15 | C05 | C04 | 1.8° | 0.0° |
| C15 | C16 | C02 | H13 | 180.0° | 180.0° |
| C15 | C16 | C02 | C03 | 0.8° | 0.0° |
| C15 | C16 | C02 | O01 | 179.6° | 179.9° |
| C13 | C12 | C11 | H11 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | H10 | 179.9° | 180.0° |
| C12 | C13 | C14 | H12 | 179.7° | 180.0° |
| C05 | C04 | C03 | H5 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 1.2° | 0.0° |
| C04 | C05 | C15 | H3 | 178.2° | 179.7° |
| C05 | C04 | C03 | H4 | 178.8° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H8 | 146.8° | 29.9° |
| C10 | C09 | C08 | H9 | 28.2° | 150.0° |
| C09 | C10 | C11 | H10 | 179.8° | 179.7° |
| C10 | C09 | C14 | H12 | 179.8° | 179.7° |
| C16 | C02 | C03 | C04 | 0.4° | 0.0° |
| C16 | C02 | C03 | O01 | 178.9° | 179.9° |
| C02 | C16 | C15 | H3 | 179.6° | 179.7° |
| C16 | C02 | C03 | H4 | 179.7° | 180.0° |
| C16 | C02 | O01 | H14 | 180.0° | 90.1° |
| C04 | C03 | C02 | H4 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.3° | 180.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 179.9° | 179.5° |
| C02 | C03 | C04 | H5 | 178.9° | 180.0° |
| C03 | C02 | C16 | H13 | 179.2° | 180.0° |
| C03 | C02 | O01 | H14 | 1.1° | 90.0° |
| O01 | C02 | C03 | H4 | 0.8° | 0.1° |
| O01 | C02 | C16 | H13 | 0.3° | 0.1° |
| H1 | C10 | C11 | H10 | 0.2° | 0.0° |
| H2 | C13 | C12 | H11 | 0.1° | 0.4° |
| H2 | C13 | C14 | H12 | 0.3° | 0.5° |
| H3 | C15 | C16 | H13 | 0.3° | 0.3° |
| H4 | C03 | C04 | H5 | 1.2° | 0.1° |
| H6 | C07 | C08 | H8 | 51.2° | 60.0° |
| H6 | C07 | C08 | H9 | 169.8° | 180.0° |
| H7 | C07 | C08 | H8 | 67.8° | 180.0° |
| H7 | C07 | C08 | H9 | 50.8° | 60.0° |
| H10 | C11 | C12 | H11 | 0.1° | 0.5° |
