5DY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| F16 | C15 | sing | 1.40Å | 1.35Å | |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | N08 | sing | 1.40Å | 1.41Å | |
| N01 | C02 | sing | 1.47Å | 1.41Å | |
| C03 | C04 | sing | 1.51Å | 1.49Å | |
| C03 | C02 | sing | 1.53Å | 1.51Å | |
| N08 | C04 | sing | 1.36Å | 1.34Å | Aromatic |
| N08 | N07 | sing | 1.28Å | 1.31Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.42Å | Aromatic |
| C02 | C22 | sing | 1.51Å | 1.54Å | |
| N07 | C06 | doub | 1.32Å | 1.33Å | Aromatic |
| O23 | C22 | doub | 1.21Å | 1.26Å | |
| C22 | O24 | sing | 1.34Å | 1.27Å | |
| C05 | C06 | sing | 1.42Å | 1.42Å | Aromatic |
| C06 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | O21 | doub | 1.21Å | 1.26Å | |
| C19 | O20 | sing | 1.35Å | 1.28Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| O20 | H18 | sing | 0.97Å | 0.95Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 110.3° | 109.5° |
| C13 | C12 | C11 | 123.4° | 119.9° |
| C13 | C12 | C17 | 115.8° | 120.0° |
| C12 | C13 | H10 | 109.3° | 109.5° |
| C12 | C13 | H11 | 109.3° | 109.5° |
| C13 | C14 | C15 | 116.4° | 109.5° |
| C14 | C13 | H10 | 109.3° | 109.4° |
| C14 | C13 | H11 | 109.3° | 109.4° |
| C13 | C14 | H12 | 107.7° | 109.5° |
| C13 | C14 | H13 | 107.7° | 109.5° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C11 | C12 | C17 | 120.8° | 120.1° |
| C12 | C11 | H9 | 120.2° | 120.0° |
| C11 | C10 | C09 | 118.9° | 119.9° |
| C11 | C10 | H8 | 120.5° | 120.0° |
| C10 | C11 | H9 | 120.2° | 120.0° |
| C12 | C17 | C18 | 119.4° | 120.1° |
| C12 | C17 | H16 | 120.3° | 119.9° |
| C14 | C15 | F16 | 110.8° | 109.5° |
| C15 | C14 | H12 | 107.7° | 109.5° |
| C15 | C14 | H13 | 107.7° | 109.5° |
| C14 | C15 | H14 | 109.1° | 109.5° |
| C14 | C15 | H15 | 109.1° | 109.5° |
| F16 | C15 | H14 | 109.1° | 109.4° |
| F16 | C15 | H15 | 109.1° | 109.5° |
| C10 | C09 | C18 | 120.1° | 119.9° |
| C10 | C09 | N08 | 129.3° | 120.0° |
| C09 | C10 | H8 | 120.6° | 120.1° |
| C17 | C18 | C09 | 121.1° | 119.9° |
| C18 | C17 | H16 | 120.3° | 120.0° |
| C17 | C18 | H17 | 119.5° | 120.0° |
| C18 | C09 | N08 | 110.1° | 120.1° |
| C09 | C18 | H17 | 119.5° | 120.0° |
| C09 | N08 | C04 | 126.2° | 125.0° |
| C09 | N08 | N07 | 123.4° | 124.9° |
| N01 | C02 | C03 | 97.3° | 109.5° |
| N01 | C02 | C22 | 109.4° | 109.4° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.5° | 111.0° |
| N01 | C02 | H4 | 111.4° | 109.5° |
| C04 | C03 | C02 | 117.5° | 109.4° |
| C03 | C04 | N08 | 127.8° | 126.5° |
| C03 | C04 | C05 | 122.8° | 126.4° |
| C04 | C03 | H5 | 107.4° | 109.5° |
| C04 | C03 | H6 | 107.4° | 109.4° |
| C03 | C02 | C22 | 118.7° | 109.4° |
| C03 | C02 | H4 | 109.9° | 109.5° |
| C02 | C03 | H5 | 107.4° | 109.5° |
| C02 | C03 | H6 | 107.4° | 109.5° |
| C04 | N08 | N07 | 109.0° | 110.1° |
| N08 | C04 | C05 | 109.3° | 107.1° |
| N08 | N07 | C06 | 109.7° | 110.1° |
| C04 | C05 | C06 | 102.0° | 105.6° |
| C04 | C05 | H7 | 129.0° | 127.2° |
| C02 | C22 | O23 | 120.2° | 120.0° |
| C02 | C22 | O24 | 124.5° | 120.0° |
| C22 | C02 | H4 | 109.6° | 109.4° |
| N07 | C06 | C05 | 109.8° | 107.1° |
| N07 | C06 | C19 | 126.1° | 126.5° |
| O23 | C22 | O24 | 115.2° | 120.0° |
| C22 | O24 | H19 | 109.5° | 117.0° |
| C05 | C06 | C19 | 124.0° | 126.5° |
| C06 | C05 | H7 | 129.0° | 127.2° |
| C06 | C19 | O21 | 114.0° | 120.0° |
| C06 | C19 | O20 | 121.5° | 120.0° |
| O21 | C19 | O20 | 123.9° | 120.0° |
| C19 | O20 | H18 | 109.5° | 117.0° |
| H1 | N01 | H2 | 109.5° | 111.0° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H10 | 120.1° | 120.0° |
| C12 | C13 | C14 | H11 | 120.1° | 120.0° |
| C13 | C12 | C11 | C17 | 179.8° | 179.9° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 62.5° | 180.0° |
| C13 | C12 | C17 | C18 | 179.9° | 180.0° |
| C13 | C12 | C11 | H9 | 0.2° | 0.0° |
| C12 | C13 | H10 | H11 | 119.6° | 120.1° |
| C12 | C13 | C14 | H12 | 176.5° | 60.0° |
| C12 | C13 | C14 | H13 | 58.5° | 59.9° |
| C13 | C12 | C17 | H16 | 0.1° | 0.1° |
| C14 | C13 | C12 | C11 | 141.2° | 90.1° |
| C14 | C13 | C12 | C17 | 38.6° | 90.0° |
| C13 | C14 | C15 | H12 | 121.0° | 120.0° |
| C13 | C14 | C15 | H13 | 121.0° | 120.0° |
| C13 | C14 | C15 | F16 | 52.5° | 180.0° |
| C14 | C13 | H10 | H11 | 119.6° | 119.9° |
| C13 | C14 | H12 | H13 | 116.8° | 120.0° |
| C13 | C14 | C15 | H14 | 172.7° | 60.1° |
| C13 | C14 | C15 | H15 | 67.6° | 60.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.8° | 0.0° |
| C11 | C12 | C17 | C18 | 0.1° | 0.1° |
| C12 | C11 | C10 | H8 | 179.2° | 180.0° |
| C11 | C12 | C13 | H10 | 21.1° | 150.0° |
| C11 | C12 | C13 | H11 | 98.7° | 29.9° |
| C11 | C12 | C17 | H16 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 0.4° | 0.1° |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C11 | C10 | C09 | C18 | 2.3° | 0.0° |
| C11 | C10 | C09 | N08 | 173.3° | 179.8° |
| C12 | C17 | C18 | H16 | 180.0° | 179.9° |
| C12 | C17 | C18 | C09 | 1.4° | 0.1° |
| C17 | C12 | C11 | H9 | 179.7° | 179.9° |
| C17 | C12 | C13 | H10 | 158.8° | 29.9° |
| C17 | C12 | C13 | H11 | 81.5° | 150.0° |
| C12 | C17 | C18 | H17 | 178.6° | 179.7° |
| C14 | C15 | F16 | H14 | 120.2° | 120.0° |
| C14 | C15 | F16 | H15 | 120.2° | 120.0° |
| C15 | C14 | C13 | H10 | 57.6° | 60.0° |
| C15 | C14 | C13 | H11 | 177.4° | 60.0° |
| C15 | C14 | H12 | H13 | 116.9° | 120.0° |
| C14 | C15 | H14 | H15 | 119.4° | 120.1° |
| F16 | C15 | C14 | H12 | 68.5° | 60.0° |
| F16 | C15 | C14 | H13 | 173.5° | 59.9° |
| F16 | C15 | H14 | H15 | 119.4° | 120.0° |
| C10 | C09 | C18 | C17 | 2.6° | 0.0° |
| C10 | C09 | C18 | N08 | 172.6° | 179.8° |
| C10 | C09 | N08 | C04 | 35.1° | 135.8° |
| C10 | C09 | N08 | N07 | 159.9° | 44.1° |
| C09 | C10 | C11 | H9 | 179.1° | 180.0° |
| C10 | C09 | C18 | H17 | 177.4° | 179.7° |
| C17 | C18 | C09 | H17 | 180.0° | 179.7° |
| C17 | C18 | C09 | N08 | 175.2° | 179.8° |
| C18 | C09 | N08 | C04 | 136.6° | 44.5° |
| C18 | C09 | N08 | N07 | 28.4° | 135.6° |
| C18 | C09 | C10 | H8 | 177.7° | 180.0° |
| C09 | C18 | C17 | H16 | 178.6° | 180.0° |
| C09 | N08 | C04 | C03 | 10.2° | 0.0° |
| C09 | N08 | C04 | N07 | 166.8° | 179.9° |
| C09 | N08 | C04 | C05 | 172.3° | 179.7° |
| C09 | N08 | N07 | C06 | 172.8° | 179.7° |
| N08 | C09 | C10 | H8 | 6.7° | 0.2° |
| N08 | C09 | C18 | H17 | 4.8° | 0.0° |
| N01 | C02 | C03 | C04 | 158.6° | 65.0° |
| N01 | C02 | C03 | C22 | 116.9° | 120.0° |
| N01 | C02 | C03 | H4 | 115.9° | 120.1° |
| N01 | C02 | C22 | H4 | 122.4° | 120.0° |
| N01 | C02 | C22 | O23 | 2.4° | 20.0° |
| N01 | C02 | C22 | O24 | 174.3° | 160.0° |
| C02 | N01 | H1 | H2 | 120.0° | 124.0° |
| N01 | C02 | C03 | H5 | 37.5° | 175.0° |
| N01 | C02 | C03 | H6 | 80.2° | 54.9° |
| C04 | C03 | C02 | H5 | 121.1° | 120.0° |
| C04 | C03 | C02 | H6 | 121.2° | 119.9° |
| C03 | C04 | N08 | C05 | 177.5° | 179.8° |
| C03 | C04 | N08 | N07 | 177.0° | 179.9° |
| C04 | C03 | C02 | C22 | 84.5° | 175.0° |
| C03 | C04 | C05 | C06 | 179.1° | 180.0° |
| C04 | C03 | C02 | H4 | 42.7° | 55.1° |
| C04 | C03 | H5 | H6 | 116.3° | 120.0° |
| C03 | C04 | C05 | H7 | 0.9° | 0.0° |
| C02 | C03 | C04 | N08 | 157.7° | 96.4° |
| C02 | C03 | C04 | C05 | 25.1° | 83.9° |
| C03 | C02 | C22 | H4 | 127.4° | 120.0° |
| C03 | C02 | C22 | O23 | 107.8° | 100.0° |
| C03 | C02 | C22 | O24 | 75.5° | 80.0° |
| C03 | C02 | N01 | H1 | 180.0° | 60.0° |
| C03 | C02 | N01 | H2 | 60.0° | 176.1° |
| C02 | C03 | H5 | H6 | 116.3° | 120.0° |
| C04 | N08 | N07 | C06 | 5.6° | 0.3° |
| N08 | C04 | C05 | C06 | 3.2° | 0.2° |
| N08 | C04 | C03 | H5 | 81.1° | 143.6° |
| N08 | C04 | C03 | H6 | 36.5° | 23.5° |
| N08 | C04 | C05 | H7 | 176.8° | 179.8° |
| N07 | N08 | C04 | C05 | 5.5° | 0.4° |
| N08 | N07 | C06 | C05 | 3.4° | 0.2° |
| N08 | N07 | C06 | C19 | 178.7° | 179.8° |
| C04 | C05 | C06 | N07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C19 | 175.4° | 180.0° |
| C05 | C04 | C03 | H5 | 96.0° | 36.1° |
| C05 | C04 | C03 | H6 | 146.3° | 156.2° |
| C02 | C22 | O23 | O24 | 177.0° | 180.0° |
| C22 | C02 | N01 | H1 | 56.1° | 60.0° |
| C22 | C02 | N01 | H2 | 176.1° | 64.0° |
| C22 | C02 | C03 | H5 | 154.4° | 55.0° |
| C22 | C02 | C03 | H6 | 36.7° | 65.1° |
| C02 | C22 | O24 | H19 | 176.8° | 180.0° |
| N07 | C06 | C05 | C19 | 175.4° | 179.9° |
| N07 | C06 | C19 | O21 | 19.4° | 180.0° |
| N07 | C06 | C19 | O20 | 168.9° | 0.1° |
| N07 | C06 | C05 | H7 | 179.9° | 180.0° |
| O23 | C22 | C02 | H4 | 124.8° | 140.0° |
| O23 | C22 | O24 | H19 | 0.0° | 0.0° |
| O24 | C22 | C02 | H4 | 51.9° | 40.0° |
| C05 | C06 | C19 | O21 | 155.2° | 0.0° |
| C05 | C06 | C19 | O20 | 16.6° | 180.0° |
| C06 | C19 | O21 | O20 | 171.6° | 180.0° |
| C19 | C06 | C05 | H7 | 4.6° | 0.0° |
| C06 | C19 | O20 | H18 | 171.0° | 180.0° |
| O21 | C19 | O20 | H18 | 0.0° | 0.0° |
| H1 | N01 | C02 | H4 | 65.2° | 180.0° |
| H2 | N01 | C02 | H4 | 54.8° | 56.0° |
| H4 | C02 | C03 | H5 | 78.4° | 64.9° |
| H4 | C02 | C03 | H6 | 163.9° | 175.0° |
| H8 | C10 | C11 | H9 | 0.9° | 0.0° |
| H10 | C13 | C14 | H12 | 63.3° | 180.0° |
| H10 | C13 | C14 | H13 | 178.7° | 60.0° |
| H11 | C13 | C14 | H12 | 56.4° | 60.1° |
| H11 | C13 | C14 | H13 | 61.6° | 180.0° |
| H12 | C14 | C15 | H14 | 51.7° | 179.9° |
| H12 | C14 | C15 | H15 | 171.4° | 60.0° |
| H13 | C14 | C15 | H14 | 66.3° | 60.0° |
| H13 | C14 | C15 | H15 | 53.4° | 179.9° |
| H16 | C17 | C18 | H17 | 1.4° | 0.2° |
