RFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C23 | sing | 1.44Å | 1.40Å | |
| O22 | C19 | sing | 1.37Å | 1.41Å | |
| C23 | O24 | sing | 1.44Å | 1.40Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| O24 | C18 | sing | 1.36Å | 1.42Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O15 | sing | 1.36Å | 1.40Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | C05 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | N03 | sing | 1.47Å | 1.49Å | |
| C05 | C06 | sing | 1.53Å | 1.49Å | |
| N03 | C02 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | sing | 1.51Å | 1.58Å | |
| C06 | C01 | sing | 1.53Å | 1.50Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | I13 | sing | 2.09Å | 2.11Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| N03 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C19 | 106.0° | 105.5° |
| O22 | C23 | O24 | 106.2° | 103.7° |
| O22 | C23 | H18 | 110.3° | 110.7° |
| O22 | C23 | H19 | 110.3° | 110.7° |
| O22 | C19 | C20 | 131.9° | 131.5° |
| O22 | C19 | C18 | 108.2° | 108.6° |
| C23 | O24 | C18 | 106.1° | 105.5° |
| O24 | C23 | H18 | 110.3° | 110.5° |
| O24 | C23 | H19 | 110.3° | 110.5° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C19 | C20 | H2 | 120.0° | 119.9° |
| C19 | C18 | O24 | 108.0° | 108.7° |
| C19 | C18 | C17 | 120.1° | 119.8° |
| O24 | C18 | C17 | 131.9° | 131.5° |
| C20 | C21 | C16 | 120.2° | 120.1° |
| C21 | C20 | H2 | 120.0° | 120.0° |
| C20 | C21 | H3 | 119.9° | 119.9° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C18 | C17 | H1 | 120.1° | 120.0° |
| C21 | C16 | C17 | 120.0° | 120.0° |
| C21 | C16 | O15 | 119.6° | 120.0° |
| C16 | C21 | H3 | 119.9° | 119.9° |
| C17 | C16 | O15 | 120.3° | 120.0° |
| C16 | C17 | H1 | 120.1° | 120.0° |
| C16 | O15 | C14 | 113.4° | 117.0° |
| O15 | C14 | C05 | 108.9° | 109.5° |
| O15 | C14 | H16 | 109.6° | 109.4° |
| O15 | C14 | H17 | 109.6° | 109.5° |
| C14 | C05 | C04 | 108.3° | 109.5° |
| C14 | C05 | C06 | 107.9° | 109.5° |
| C14 | C05 | H10 | 109.0° | 109.6° |
| C05 | C14 | H16 | 109.6° | 109.5° |
| C05 | C14 | H17 | 109.6° | 109.5° |
| C05 | C04 | N03 | 112.3° | 109.6° |
| C04 | C05 | C06 | 112.7° | 109.2° |
| C05 | C04 | H8 | 108.8° | 109.4° |
| C05 | C04 | H9 | 108.8° | 109.5° |
| C04 | C05 | H10 | 109.2° | 109.5° |
| C04 | N03 | C02 | 111.2° | 111.2° |
| N03 | C04 | H8 | 108.8° | 109.5° |
| N03 | C04 | H9 | 108.8° | 109.4° |
| C04 | N03 | H20 | 109.0° | 111.0° |
| C05 | C06 | C07 | 107.8° | 109.5° |
| C05 | C06 | C01 | 113.6° | 109.1° |
| C06 | C05 | H10 | 109.8° | 109.5° |
| C05 | C06 | H11 | 109.3° | 109.5° |
| N03 | C02 | C01 | 111.9° | 109.5° |
| N03 | C02 | H6 | 108.8° | 109.5° |
| N03 | C02 | H7 | 108.9° | 109.5° |
| C02 | N03 | H20 | 109.0° | 110.9° |
| C07 | C06 | C01 | 108.5° | 109.5° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C06 | C07 | C12 | 119.7° | 120.0° |
| C07 | C06 | H11 | 108.2° | 109.6° |
| C06 | C01 | C02 | 112.9° | 109.3° |
| C06 | C01 | H4 | 108.6° | 109.5° |
| C06 | C01 | H5 | 108.6° | 109.5° |
| C01 | C06 | H11 | 109.3° | 109.5° |
| C07 | C08 | C09 | 119.9° | 120.1° |
| C08 | C07 | C12 | 120.3° | 120.0° |
| C07 | C08 | H12 | 120.0° | 120.0° |
| C08 | C09 | C10 | 119.8° | 119.9° |
| C09 | C08 | H12 | 120.1° | 120.0° |
| C08 | C09 | H13 | 120.1° | 120.1° |
| C07 | C12 | C11 | 119.9° | 120.1° |
| C07 | C12 | H15 | 120.1° | 120.0° |
| C09 | C10 | C11 | 120.3° | 120.0° |
| C09 | C10 | I13 | 120.2° | 120.0° |
| C10 | C09 | H13 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.0° |
| C12 | C11 | H14 | 120.1° | 120.0° |
| C11 | C12 | H15 | 120.1° | 120.0° |
| C11 | C10 | I13 | 119.5° | 120.0° |
| C10 | C11 | H14 | 120.1° | 120.0° |
| C02 | C01 | H4 | 108.6° | 109.5° |
| C02 | C01 | H5 | 108.6° | 109.5° |
| C01 | C02 | H6 | 108.9° | 109.5° |
| C01 | C02 | H7 | 108.8° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C02 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C23 | O24 | H18 | 119.5° | 118.6° |
| O22 | C23 | O24 | H19 | 119.5° | 118.6° |
| C23 | O22 | C19 | C20 | 165.9° | 162.7° |
| C23 | O22 | C19 | C18 | 14.2° | 17.6° |
| O22 | C23 | O24 | C18 | 22.8° | 27.2° |
| O22 | C23 | H18 | H19 | 121.5° | 123.0° |
| C19 | O22 | C23 | O24 | 22.8° | 27.4° |
| O22 | C19 | C20 | C18 | 179.9° | 179.6° |
| O22 | C19 | C18 | O24 | 0.1° | 0.2° |
| O22 | C19 | C20 | C21 | 179.9° | 180.0° |
| O22 | C19 | C18 | C17 | 179.9° | 179.8° |
| O22 | C19 | C20 | H2 | 0.1° | 0.6° |
| C19 | O22 | C23 | H18 | 142.3° | 91.2° |
| C19 | O22 | C23 | H19 | 96.7° | 145.9° |
| C23 | O24 | C18 | C19 | 14.1° | 17.2° |
| C23 | O24 | C18 | C17 | 165.8° | 162.8° |
| O24 | C23 | H18 | H19 | 121.5° | 122.7° |
| C20 | C19 | C18 | O24 | 180.0° | 180.0° |
| C19 | C20 | C21 | H2 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.2° | 0.1° |
| C19 | C20 | C21 | C16 | 0.0° | 0.7° |
| C19 | C20 | C21 | H3 | 180.0° | 179.4° |
| C19 | C18 | O24 | C17 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.4° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | H1 | 179.7° | 179.8° |
| C18 | C19 | C20 | H2 | 179.9° | 179.7° |
| O24 | C18 | C17 | C16 | 179.9° | 180.0° |
| O24 | C18 | C17 | H1 | 0.1° | 0.3° |
| C18 | O24 | C23 | H18 | 142.3° | 91.4° |
| C18 | O24 | C23 | H19 | 96.7° | 145.9° |
| C20 | C21 | C16 | H3 | 180.0° | 179.9° |
| C20 | C21 | C16 | C17 | 0.2° | 0.7° |
| C20 | C21 | C16 | O15 | 180.0° | 179.4° |
| C18 | C17 | C16 | C21 | 0.3° | 0.4° |
| C18 | C17 | C16 | H1 | 180.0° | 179.7° |
| C18 | C17 | C16 | O15 | 179.9° | 179.7° |
| C21 | C16 | C17 | O15 | 179.8° | 179.9° |
| C21 | C16 | O15 | C14 | 68.8° | 0.1° |
| C21 | C16 | C17 | H1 | 179.7° | 179.9° |
| C16 | C21 | C20 | H2 | 179.9° | 180.0° |
| C17 | C16 | O15 | C14 | 111.0° | 180.0° |
| C17 | C16 | C21 | H3 | 179.8° | 179.4° |
| C16 | O15 | C14 | C05 | 138.3° | 180.0° |
| O15 | C16 | C17 | H1 | 0.1° | 0.0° |
| O15 | C16 | C21 | H3 | 0.0° | 0.5° |
| C16 | O15 | C14 | H16 | 101.8° | 60.0° |
| C16 | O15 | C14 | H17 | 18.4° | 60.0° |
| O15 | C14 | C05 | H16 | 119.9° | 120.0° |
| O15 | C14 | C05 | H17 | 119.9° | 120.0° |
| O15 | C14 | C05 | C04 | 143.7° | 65.0° |
| O15 | C14 | C05 | C06 | 94.1° | 175.2° |
| O15 | C14 | C05 | H10 | 25.0° | 55.1° |
| O15 | C14 | H16 | H17 | 120.3° | 120.0° |
| C14 | C05 | C04 | C06 | 119.2° | 119.9° |
| C14 | C05 | C04 | H10 | 118.6° | 120.2° |
| C14 | C05 | C04 | N03 | 117.6° | 179.1° |
| C14 | C05 | C06 | H10 | 118.6° | 120.2° |
| C14 | C05 | C06 | C07 | 71.2° | 62.5° |
| C14 | C05 | C06 | C01 | 168.6° | 177.6° |
| C14 | C05 | C04 | H8 | 2.9° | 59.0° |
| C14 | C05 | C04 | H9 | 122.0° | 60.9° |
| C14 | C05 | C06 | H11 | 46.2° | 57.7° |
| C05 | C14 | H16 | H17 | 120.3° | 120.0° |
| C05 | C04 | N03 | H8 | 120.4° | 120.0° |
| C05 | C04 | N03 | H9 | 120.4° | 120.0° |
| C04 | C05 | C06 | H10 | 122.0° | 119.9° |
| C05 | C04 | N03 | C02 | 54.3° | 61.8° |
| C04 | C05 | C06 | C07 | 169.3° | 177.5° |
| C04 | C05 | C06 | C01 | 49.1° | 57.6° |
| C05 | C04 | H8 | H9 | 118.7° | 119.9° |
| C04 | C05 | C06 | H11 | 73.2° | 62.3° |
| C04 | C05 | C14 | H16 | 96.4° | 55.0° |
| C04 | C05 | C14 | H17 | 23.8° | 175.0° |
| C05 | C04 | N03 | H20 | 66.0° | 174.2° |
| N03 | C04 | C05 | C06 | 1.6° | 59.2° |
| C04 | N03 | C02 | H20 | 120.2° | 124.1° |
| C04 | N03 | C02 | C01 | 56.4° | 61.7° |
| C04 | N03 | C02 | H6 | 176.8° | 178.2° |
| C04 | N03 | C02 | H7 | 63.9° | 58.2° |
| N03 | C04 | H8 | H9 | 118.7° | 120.0° |
| N03 | C04 | C05 | H10 | 123.9° | 60.7° |
| C05 | C06 | C07 | C01 | 123.4° | 119.6° |
| C05 | C06 | C07 | H11 | 118.1° | 120.2° |
| C05 | C06 | C01 | H11 | 122.4° | 119.9° |
| C05 | C06 | C07 | C08 | 54.8° | 60.5° |
| C05 | C06 | C07 | C12 | 124.9° | 120.0° |
| C05 | C06 | C01 | C02 | 47.0° | 57.7° |
| C05 | C06 | C01 | H4 | 73.5° | 177.6° |
| C05 | C06 | C01 | H5 | 167.6° | 62.3° |
| C06 | C05 | C04 | H8 | 122.1° | 60.9° |
| C06 | C05 | C04 | H9 | 118.8° | 179.2° |
| C06 | C05 | C14 | H16 | 25.8° | 64.8° |
| C06 | C05 | C14 | H17 | 146.0° | 55.2° |
| N03 | C02 | C01 | C06 | 5.7° | 59.2° |
| N03 | C02 | C01 | H6 | 120.3° | 120.0° |
| N03 | C02 | C01 | H7 | 120.4° | 120.0° |
| N03 | C02 | C01 | H4 | 126.2° | 179.1° |
| N03 | C02 | C01 | H5 | 114.8° | 60.8° |
| N03 | C02 | H6 | H7 | 118.9° | 120.0° |
| C02 | N03 | C04 | H8 | 174.7° | 58.3° |
| C02 | N03 | C04 | H9 | 66.1° | 178.2° |
| C07 | C06 | C01 | H11 | 117.8° | 120.2° |
| C06 | C07 | C08 | C12 | 179.7° | 179.5° |
| C06 | C07 | C08 | C09 | 179.8° | 179.8° |
| C06 | C07 | C12 | C11 | 179.8° | 180.0° |
| C07 | C06 | C01 | C02 | 166.8° | 177.5° |
| C07 | C06 | C01 | H4 | 46.3° | 62.6° |
| C07 | C06 | C01 | H5 | 72.7° | 57.5° |
| C07 | C06 | C05 | H10 | 47.4° | 57.6° |
| C06 | C07 | C08 | H12 | 0.1° | 0.0° |
| C06 | C07 | C12 | H15 | 0.2° | 0.5° |
| C01 | C06 | C07 | C08 | 68.6° | 59.2° |
| C01 | C06 | C07 | C12 | 111.7° | 120.4° |
| C06 | C01 | C02 | H4 | 120.5° | 119.9° |
| C06 | C01 | C02 | H5 | 120.5° | 120.0° |
| C06 | C01 | H4 | H5 | 118.4° | 120.1° |
| C06 | C01 | C02 | H6 | 126.0° | 179.2° |
| C06 | C01 | C02 | H7 | 114.7° | 60.8° |
| C01 | C06 | C05 | H10 | 72.8° | 62.3° |
| C07 | C08 | C09 | H12 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | C12 | C11 | 0.1° | 0.5° |
| C08 | C07 | C06 | H11 | 172.9° | 179.4° |
| C07 | C08 | C09 | H13 | 180.0° | 179.5° |
| C08 | C07 | C12 | H15 | 179.9° | 180.0° |
| C09 | C08 | C07 | C12 | 0.1° | 0.7° |
| C08 | C09 | C10 | H13 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | I13 | 180.0° | 179.8° |
| C07 | C12 | C11 | H15 | 180.0° | 179.5° |
| C07 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C07 | C06 | H11 | 6.8° | 0.2° |
| C12 | C07 | C08 | H12 | 179.9° | 179.5° |
| C07 | C12 | C11 | H14 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | I13 | 179.9° | 179.7° |
| C10 | C09 | C08 | H12 | 180.0° | 179.7° |
| C09 | C10 | C11 | H14 | 179.9° | 179.7° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | I13 | 180.0° | 180.0° |
| C11 | C10 | C09 | H13 | 179.9° | 180.0° |
| C10 | C11 | C12 | H15 | 180.0° | 179.5° |
| I13 | C10 | C09 | H13 | 0.1° | 0.3° |
| I13 | C10 | C11 | H14 | 0.0° | 0.0° |
| C02 | C01 | H4 | H5 | 118.5° | 120.1° |
| C01 | C02 | H6 | H7 | 118.9° | 119.9° |
| C02 | C01 | C06 | H11 | 75.3° | 62.2° |
| C01 | C02 | N03 | H20 | 63.8° | 174.2° |
| H2 | C20 | C21 | H3 | 0.1° | 0.1° |
| H4 | C01 | C02 | H6 | 113.5° | 60.9° |
| H4 | C01 | C02 | H7 | 5.8° | 59.1° |
| H4 | C01 | C06 | H11 | 164.1° | 57.7° |
| H5 | C01 | C02 | H6 | 5.5° | 59.2° |
| H5 | C01 | C02 | H7 | 124.8° | 179.2° |
| H5 | C01 | C06 | H11 | 45.2° | 177.8° |
| H6 | C02 | N03 | H20 | 56.5° | 54.2° |
| H7 | C02 | N03 | H20 | 175.8° | 65.8° |
| H8 | C04 | C05 | H10 | 115.7° | 179.2° |
| H8 | C04 | N03 | H20 | 54.5° | 65.8° |
| H9 | C04 | C05 | H10 | 3.5° | 59.3° |
| H9 | C04 | N03 | H20 | 173.6° | 54.2° |
| H10 | C05 | C06 | H11 | 164.8° | 177.8° |
| H10 | C05 | C14 | H16 | 144.9° | 175.1° |
| H10 | C05 | C14 | H17 | 94.9° | 64.9° |
| H12 | C08 | C09 | H13 | 0.1° | 0.3° |
| H14 | C11 | C12 | H15 | 0.0° | 0.5° |
