RY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | sing | 1.43Å | 1.43Å | |
| O10 | C02 | sing | 1.43Å | 1.46Å | |
| O10 | C09 | sing | 1.43Å | 1.48Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C05 | sing | 1.53Å | 1.49Å | |
| C02 | O01 | sing | 1.43Å | 1.38Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| O06 | C05 | sing | 1.43Å | 1.47Å | |
| C07 | C05 | sing | 1.53Å | 1.48Å | |
| C07 | C09 | sing | 1.53Å | 1.52Å | |
| C07 | O08 | sing | 1.43Å | 1.44Å | |
| O19 | N18 | sing | 1.22Å | 1.17Å | |
| N18 | O20 | doub | 1.22Å | 1.40Å | |
| N18 | C15 | sing | 1.48Å | 1.45Å | |
| C15 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C09 | sing | 1.53Å | 1.50Å | |
| C12 | O01 | sing | 1.36Å | 1.43Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| O04 | H13 | sing | 0.97Å | 0.95Å | |
| O06 | H14 | sing | 0.97Å | 0.95Å | |
| O08 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | C02 | 108.2° | 109.5° |
| O04 | C03 | C05 | 108.6° | 109.5° |
| O04 | C03 | H2 | 109.3° | 109.5° |
| C03 | O04 | H13 | 109.5° | 114.0° |
| C02 | O10 | C09 | 110.1° | 114.1° |
| O10 | C02 | C03 | 113.7° | 109.4° |
| O10 | C02 | O01 | 107.5° | 109.5° |
| O10 | C02 | H1 | 108.9° | 109.5° |
| O10 | C09 | C07 | 108.7° | 109.4° |
| O10 | C09 | C11 | 109.8° | 109.5° |
| O10 | C09 | H5 | 109.0° | 109.5° |
| C02 | C03 | C05 | 114.0° | 109.2° |
| C03 | C02 | O01 | 108.6° | 109.5° |
| C03 | C02 | H1 | 107.9° | 109.5° |
| C02 | C03 | H2 | 108.0° | 109.5° |
| C03 | C05 | O06 | 107.4° | 109.5° |
| C03 | C05 | C07 | 112.5° | 109.1° |
| C05 | C03 | H2 | 108.6° | 109.6° |
| C03 | C05 | H3 | 108.8° | 109.5° |
| C02 | O01 | C12 | 110.8° | 117.0° |
| O01 | C02 | H1 | 110.1° | 109.5° |
| C17 | C16 | C15 | 119.9° | 120.1° |
| C16 | C17 | C12 | 120.0° | 120.0° |
| C17 | C16 | H11 | 120.0° | 120.0° |
| C16 | C17 | H12 | 120.0° | 120.0° |
| C16 | C15 | N18 | 120.0° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.1° |
| C15 | C16 | H11 | 120.0° | 120.0° |
| C17 | C12 | O01 | 120.6° | 120.1° |
| C17 | C12 | C13 | 119.8° | 119.9° |
| C12 | C17 | H12 | 120.0° | 120.0° |
| O06 | C05 | C07 | 110.0° | 109.6° |
| O06 | C05 | H3 | 109.1° | 109.5° |
| C05 | O06 | H14 | 109.5° | 114.0° |
| C05 | C07 | C09 | 109.1° | 109.2° |
| C05 | C07 | O08 | 110.7° | 109.5° |
| C07 | C05 | H3 | 109.0° | 109.5° |
| C05 | C07 | H4 | 109.3° | 109.5° |
| C09 | C07 | O08 | 109.3° | 109.5° |
| C07 | C09 | C11 | 111.9° | 109.5° |
| C09 | C07 | H4 | 108.7° | 109.5° |
| C07 | C09 | H5 | 108.5° | 109.4° |
| O08 | C07 | H4 | 109.8° | 109.6° |
| C07 | O08 | H15 | 109.5° | 114.0° |
| O19 | N18 | O20 | 120.1° | 120.0° |
| O19 | N18 | C15 | 119.1° | 120.0° |
| O20 | N18 | C15 | 120.8° | 120.0° |
| N18 | C15 | C14 | 119.8° | 119.9° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H10 | 120.0° | 120.0° |
| C11 | C09 | H5 | 108.9° | 109.5° |
| C09 | C11 | H6 | 109.5° | 109.4° |
| C09 | C11 | H7 | 109.4° | 109.4° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| O01 | C12 | C13 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C12 | C13 | H9 | 119.9° | 120.0° |
| C14 | C13 | H9 | 120.0° | 120.0° |
| C13 | C14 | H10 | 120.1° | 120.0° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | C02 | O10 | 78.3° | 62.3° |
| O04 | C03 | C02 | C05 | 121.0° | 119.9° |
| O04 | C03 | C02 | H2 | 118.2° | 120.1° |
| O04 | C03 | C05 | H2 | 118.8° | 120.2° |
| O04 | C03 | C02 | O01 | 162.0° | 177.7° |
| O04 | C03 | C05 | O06 | 45.1° | 57.1° |
| O04 | C03 | C05 | C07 | 76.1° | 62.9° |
| O04 | C03 | C02 | H1 | 42.7° | 57.7° |
| O04 | C03 | C05 | H3 | 163.1° | 177.2° |
| O10 | C02 | C03 | O01 | 119.7° | 119.9° |
| O10 | C02 | C03 | H1 | 121.0° | 120.0° |
| O10 | C02 | C03 | C05 | 42.7° | 57.6° |
| O10 | C02 | O01 | H1 | 118.5° | 120.0° |
| C02 | O10 | C09 | C07 | 63.0° | 61.2° |
| C02 | O10 | C09 | C11 | 174.2° | 178.9° |
| O10 | C02 | O01 | C12 | 105.9° | 65.1° |
| O10 | C02 | C03 | H2 | 163.5° | 177.5° |
| C02 | O10 | C09 | H5 | 55.1° | 58.8° |
| C09 | O10 | C02 | C03 | 51.8° | 61.1° |
| C09 | O10 | C02 | O01 | 68.5° | 58.8° |
| O10 | C09 | C07 | C05 | 65.1° | 57.6° |
| O10 | C09 | C07 | C11 | 121.4° | 120.0° |
| O10 | C09 | C07 | H5 | 118.4° | 120.0° |
| O10 | C09 | C07 | O08 | 173.7° | 177.5° |
| O10 | C09 | C11 | H5 | 119.2° | 120.1° |
| C09 | O10 | C02 | H1 | 172.2° | 178.9° |
| O10 | C09 | C07 | H4 | 54.0° | 62.3° |
| O10 | C09 | C11 | H6 | 180.0° | 179.9° |
| O10 | C09 | C11 | H7 | 60.0° | 60.1° |
| O10 | C09 | C11 | H8 | 60.0° | 59.9° |
| C02 | C03 | C05 | H2 | 120.4° | 119.9° |
| C03 | C02 | O01 | H1 | 118.0° | 120.1° |
| C02 | C03 | C05 | O06 | 165.8° | 176.9° |
| C02 | C03 | C05 | C07 | 44.7° | 57.0° |
| C03 | C02 | O01 | C12 | 130.6° | 175.1° |
| C02 | C03 | C05 | H3 | 76.2° | 62.9° |
| C02 | C03 | O04 | H13 | 180.0° | 60.0° |
| C05 | C03 | C02 | O01 | 77.0° | 62.4° |
| C03 | C05 | O06 | C07 | 122.7° | 119.6° |
| C03 | C05 | O06 | H3 | 117.8° | 120.2° |
| C03 | C05 | C07 | H3 | 120.8° | 119.9° |
| C03 | C05 | C07 | C09 | 55.7° | 57.0° |
| C03 | C05 | C07 | O08 | 176.0° | 176.9° |
| C05 | C03 | C02 | H1 | 163.7° | 177.6° |
| C03 | C05 | C07 | H4 | 63.0° | 62.9° |
| C05 | C03 | O04 | H13 | 55.7° | 179.7° |
| C03 | C05 | O06 | H14 | 180.0° | 60.0° |
| C02 | O01 | C12 | C17 | 49.3° | 0.2° |
| C02 | O01 | C12 | C13 | 131.6° | 180.0° |
| O01 | C02 | C03 | H2 | 43.8° | 57.6° |
| C17 | C16 | C15 | H11 | 180.0° | 179.5° |
| C16 | C17 | C12 | H12 | 180.0° | 179.5° |
| C17 | C16 | C15 | N18 | 179.8° | 179.7° |
| C17 | C16 | C15 | C14 | 0.4° | 0.2° |
| C16 | C17 | C12 | O01 | 179.2° | 179.7° |
| C16 | C17 | C12 | C13 | 0.0° | 0.5° |
| C15 | C16 | C17 | C12 | 0.3° | 0.5° |
| C16 | C15 | N18 | O19 | 41.4° | 0.0° |
| C16 | C15 | N18 | O20 | 139.4° | 180.0° |
| C16 | C15 | N18 | C14 | 179.4° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H10 | 179.7° | 180.0° |
| C15 | C16 | C17 | H12 | 179.7° | 180.0° |
| C17 | C12 | O01 | C13 | 179.1° | 179.8° |
| C17 | C12 | C13 | C14 | 0.2° | 0.3° |
| C17 | C12 | C13 | H9 | 179.8° | 179.8° |
| C12 | C17 | C16 | H11 | 179.7° | 180.0° |
| O06 | C05 | C07 | H3 | 119.5° | 120.2° |
| O06 | C05 | C07 | C09 | 175.3° | 176.9° |
| O06 | C05 | C07 | O08 | 64.4° | 63.2° |
| O06 | C05 | C03 | H2 | 73.7° | 63.1° |
| O06 | C05 | C07 | H4 | 56.7° | 57.0° |
| C05 | C07 | C09 | O08 | 121.2° | 119.9° |
| C05 | C07 | C09 | H4 | 119.0° | 119.9° |
| C05 | C07 | O08 | H4 | 120.7° | 120.1° |
| C05 | C07 | C09 | C11 | 173.5° | 177.6° |
| C07 | C05 | C03 | H2 | 165.1° | 176.9° |
| C05 | C07 | C09 | H5 | 53.3° | 62.3° |
| C07 | C05 | O06 | H14 | 57.3° | 179.7° |
| C05 | C07 | O08 | H15 | 180.0° | 180.0° |
| C09 | C07 | O08 | H4 | 119.1° | 120.2° |
| C07 | C09 | C11 | H5 | 120.0° | 120.0° |
| C09 | C07 | C05 | H3 | 65.1° | 62.9° |
| C07 | C09 | C11 | H6 | 59.2° | 60.0° |
| C07 | C09 | C11 | H7 | 179.2° | 180.0° |
| C07 | C09 | C11 | H8 | 60.9° | 60.0° |
| C09 | C07 | O08 | H15 | 59.8° | 60.3° |
| O08 | C07 | C09 | C11 | 52.3° | 62.5° |
| O08 | C07 | C05 | H3 | 55.2° | 57.0° |
| O08 | C07 | C09 | H5 | 67.9° | 57.6° |
| O19 | N18 | O20 | C15 | 179.2° | 180.0° |
| O19 | N18 | C15 | C14 | 138.0° | 180.0° |
| O20 | N18 | C15 | C14 | 41.2° | 0.0° |
| N18 | C15 | C14 | C13 | 179.6° | 180.0° |
| N18 | C15 | C14 | H10 | 0.3° | 0.0° |
| N18 | C15 | C16 | H11 | 0.2° | 0.3° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | H9 | 179.9° | 179.9° |
| C14 | C15 | C16 | H11 | 179.6° | 179.7° |
| C11 | C09 | C07 | H4 | 67.5° | 57.7° |
| C09 | C11 | H6 | H7 | 120.0° | 120.0° |
| C09 | C11 | H6 | H8 | 120.0° | 120.0° |
| C09 | C11 | H7 | H8 | 120.0° | 120.0° |
| O01 | C12 | C13 | C14 | 179.3° | 180.0° |
| C12 | O01 | C02 | H1 | 12.7° | 55.0° |
| O01 | C12 | C13 | H9 | 0.6° | 0.1° |
| O01 | C12 | C17 | H12 | 0.8° | 0.2° |
| C12 | C13 | C14 | H9 | 180.0° | 179.9° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C12 | C17 | H12 | 180.0° | 180.0° |
| H1 | C02 | C03 | H2 | 75.5° | 62.5° |
| H2 | C03 | C05 | H3 | 44.2° | 57.0° |
| H2 | C03 | O04 | H13 | 62.6° | 60.1° |
| H3 | C05 | C07 | H4 | 176.2° | 177.2° |
| H3 | C05 | O06 | H14 | 62.2° | 60.1° |
| H4 | C07 | C09 | H5 | 172.4° | 177.8° |
| H4 | C07 | O08 | H15 | 59.3° | 59.9° |
| H5 | C09 | C11 | H6 | 60.8° | 60.0° |
| H5 | C09 | C11 | H7 | 59.2° | 60.0° |
| H5 | C09 | C11 | H8 | 179.2° | 180.0° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | C14 | H10 | 0.1° | 0.1° |
| H11 | C16 | C17 | H12 | 0.3° | 0.5° |
