Y18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N12 | sing | 1.46Å | 1.47Å | |
| O16 | C14 | doub | 1.21Å | 1.21Å | |
| N12 | C14 | sing | 1.34Å | 1.40Å | |
| N12 | C11 | sing | 1.47Å | 1.50Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| C10 | C15 | sing | 1.55Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.65Å | |
| C09 | N08 | sing | 1.46Å | 1.49Å | |
| N08 | C17 | sing | 1.37Å | 1.42Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.37Å | Aromatic |
| C22 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.42Å | 1.40Å | Aromatic |
| C05 | C07 | sing | 1.51Å | 1.43Å | |
| C05 | C04 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | N03 | sing | 1.46Å | 1.49Å | |
| C18 | C06 | sing | 1.45Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C02 | sing | 1.47Å | 1.43Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C14 | 130.2° | 124.3° |
| C13 | N12 | C11 | 118.3° | 124.4° |
| N12 | C13 | H10 | 109.5° | 109.5° |
| N12 | C13 | H11 | 109.4° | 109.5° |
| N12 | C13 | H12 | 109.5° | 109.5° |
| O16 | C14 | N12 | 123.2° | 124.9° |
| O16 | C14 | C15 | 126.9° | 124.9° |
| C14 | N12 | C11 | 111.4° | 111.3° |
| N12 | C14 | C15 | 110.0° | 110.1° |
| N12 | C11 | C10 | 101.4° | 105.5° |
| N12 | C11 | H8 | 111.4° | 110.2° |
| N12 | C11 | H9 | 111.4° | 110.3° |
| C14 | C15 | C10 | 99.3° | 104.2° |
| C14 | C15 | H13 | 111.9° | 110.5° |
| C14 | C15 | H14 | 112.0° | 110.5° |
| C11 | C10 | C15 | 107.4° | 101.8° |
| C11 | C10 | C09 | 109.5° | 111.0° |
| C11 | C10 | H7 | 109.6° | 111.0° |
| C10 | C11 | H8 | 111.5° | 110.3° |
| C10 | C11 | H9 | 111.5° | 110.3° |
| C15 | C10 | C09 | 113.4° | 111.0° |
| C15 | C10 | H7 | 109.0° | 111.0° |
| C10 | C15 | H13 | 112.0° | 110.5° |
| C10 | C15 | H14 | 112.0° | 110.5° |
| C10 | C09 | N08 | 112.5° | 109.5° |
| C10 | C09 | H5 | 108.7° | 109.5° |
| C10 | C09 | H6 | 108.7° | 109.5° |
| C09 | C10 | H7 | 107.9° | 110.8° |
| C09 | N08 | C17 | 115.7° | 124.9° |
| C09 | N08 | C07 | 133.4° | 124.9° |
| N08 | C09 | H5 | 108.7° | 109.5° |
| N08 | C09 | H6 | 108.7° | 109.4° |
| C17 | N08 | C07 | 110.8° | 110.2° |
| N08 | C17 | C22 | 130.6° | 131.6° |
| N08 | C17 | C18 | 104.2° | 107.8° |
| N08 | C07 | C05 | 130.3° | 129.6° |
| N08 | C07 | C06 | 107.3° | 109.6° |
| C17 | C22 | C21 | 115.9° | 117.2° |
| C22 | C17 | C18 | 125.1° | 120.7° |
| C17 | C22 | H18 | 122.1° | 121.4° |
| C22 | C21 | C20 | 120.5° | 122.2° |
| C22 | C21 | H17 | 119.8° | 119.0° |
| C21 | C22 | H18 | 122.0° | 121.4° |
| C17 | C18 | C06 | 110.5° | 105.6° |
| C17 | C18 | C19 | 117.4° | 121.2° |
| C07 | C05 | C04 | 114.4° | 108.8° |
| C05 | C07 | C06 | 122.3° | 120.8° |
| C07 | C05 | H3 | 108.3° | 109.5° |
| C07 | C05 | H4 | 108.2° | 109.6° |
| C05 | C04 | N03 | 110.0° | 112.6° |
| C05 | C04 | H1 | 109.4° | 108.9° |
| C05 | C04 | H2 | 109.3° | 108.8° |
| C04 | C05 | H3 | 108.2° | 109.4° |
| C04 | C05 | H4 | 108.2° | 109.8° |
| C07 | C06 | C18 | 107.0° | 106.8° |
| C07 | C06 | C02 | 119.0° | 121.0° |
| C21 | C20 | C19 | 122.6° | 121.9° |
| C21 | C20 | H16 | 118.7° | 119.1° |
| C20 | C21 | H17 | 119.7° | 118.9° |
| C04 | N03 | C02 | 121.4° | 122.4° |
| N03 | C04 | H1 | 109.3° | 108.8° |
| N03 | C04 | H2 | 109.4° | 108.8° |
| C04 | N03 | H19 | 119.3° | 118.8° |
| C06 | C18 | C19 | 132.0° | 133.2° |
| C18 | C06 | C02 | 133.8° | 132.2° |
| C18 | C19 | C20 | 118.3° | 116.9° |
| C18 | C19 | H15 | 120.8° | 121.6° |
| C06 | C02 | N03 | 116.7° | 116.9° |
| C06 | C02 | O01 | 122.5° | 121.6° |
| C20 | C19 | H15 | 120.8° | 121.5° |
| C19 | C20 | H16 | 118.7° | 119.0° |
| N03 | C02 | O01 | 120.7° | 121.6° |
| C02 | N03 | H19 | 119.3° | 118.8° |
| H1 | C04 | H2 | 109.5° | 108.8° |
| H3 | C05 | H4 | 109.5° | 109.7° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 110.2° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H12 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C14 | O16 | 2.4° | 0.4° |
| C13 | N12 | C14 | C11 | 175.6° | 180.0° |
| C13 | N12 | C14 | C15 | 177.3° | 179.6° |
| C13 | N12 | C11 | C10 | 163.0° | 163.0° |
| C13 | N12 | C11 | H8 | 44.3° | 78.0° |
| C13 | N12 | C11 | H9 | 78.3° | 43.9° |
| N12 | C13 | H10 | H11 | 120.0° | 120.0° |
| N12 | C13 | H10 | H12 | 120.0° | 120.0° |
| N12 | C13 | H11 | H12 | 120.0° | 120.0° |
| O16 | C14 | N12 | C15 | 179.7° | 180.0° |
| O16 | C14 | N12 | C11 | 178.0° | 179.6° |
| O16 | C14 | C15 | C10 | 162.7° | 163.7° |
| O16 | C14 | C15 | H13 | 78.9° | 45.1° |
| O16 | C14 | C15 | H14 | 44.4° | 77.6° |
| C14 | N12 | C11 | C10 | 20.8° | 17.0° |
| N12 | C14 | C15 | C10 | 17.6° | 16.2° |
| C14 | N12 | C11 | H8 | 139.5° | 102.0° |
| C14 | N12 | C11 | H9 | 97.9° | 136.1° |
| C14 | N12 | C13 | H10 | 180.0° | 0.0° |
| C14 | N12 | C13 | H11 | 60.0° | 120.0° |
| C14 | N12 | C13 | H12 | 60.0° | 120.0° |
| N12 | C14 | C15 | H13 | 100.8° | 134.9° |
| N12 | C14 | C15 | H14 | 135.9° | 102.4° |
| C11 | N12 | C14 | C15 | 1.7° | 0.4° |
| N12 | C11 | C10 | H8 | 118.7° | 119.0° |
| N12 | C11 | C10 | H9 | 118.7° | 119.1° |
| N12 | C11 | C10 | C15 | 32.0° | 25.4° |
| N12 | C11 | C10 | C09 | 155.5° | 143.5° |
| N12 | C11 | C10 | H7 | 86.3° | 92.7° |
| N12 | C11 | H8 | H9 | 123.7° | 122.0° |
| C11 | N12 | C13 | H10 | 4.6° | 180.0° |
| C11 | N12 | C13 | H11 | 124.6° | 60.0° |
| C11 | N12 | C13 | H12 | 115.4° | 60.0° |
| C14 | C15 | C10 | C11 | 30.5° | 24.8° |
| C14 | C15 | C10 | H13 | 118.3° | 118.7° |
| C14 | C15 | C10 | H14 | 118.3° | 118.6° |
| C14 | C15 | C10 | C09 | 151.6° | 142.9° |
| C14 | C15 | C10 | H7 | 88.2° | 93.4° |
| C14 | C15 | H13 | H14 | 124.8° | 122.6° |
| C11 | C10 | C15 | C09 | 121.1° | 118.1° |
| C11 | C10 | C15 | H7 | 118.7° | 118.2° |
| C11 | C10 | C09 | H7 | 119.2° | 123.8° |
| C11 | C10 | C09 | N08 | 72.3° | 178.0° |
| C11 | C10 | C09 | H5 | 167.3° | 61.9° |
| C11 | C10 | C09 | H6 | 48.2° | 58.1° |
| C10 | C11 | H8 | H9 | 123.8° | 122.0° |
| C11 | C10 | C15 | H13 | 87.8° | 143.5° |
| C11 | C10 | C15 | H14 | 148.8° | 93.8° |
| C15 | C10 | C09 | H7 | 120.9° | 123.8° |
| C15 | C10 | C09 | N08 | 47.6° | 65.6° |
| C15 | C10 | C09 | H5 | 72.9° | 174.4° |
| C15 | C10 | C09 | H6 | 168.0° | 54.3° |
| C15 | C10 | C11 | H8 | 150.7° | 93.6° |
| C15 | C10 | C11 | H9 | 86.7° | 144.5° |
| C10 | C15 | H13 | H14 | 124.8° | 122.6° |
| C10 | C09 | N08 | H5 | 120.5° | 120.0° |
| C10 | C09 | N08 | H6 | 120.4° | 120.0° |
| C10 | C09 | N08 | C17 | 99.7° | 95.6° |
| C10 | C09 | N08 | C07 | 84.7° | 84.4° |
| C10 | C09 | H5 | H6 | 118.6° | 120.0° |
| C09 | C10 | C11 | H8 | 85.8° | 24.6° |
| C09 | C10 | C11 | H9 | 36.8° | 97.3° |
| C09 | C10 | C15 | H13 | 33.3° | 98.4° |
| C09 | C10 | C15 | H14 | 90.1° | 24.3° |
| C09 | N08 | C17 | C07 | 176.6° | 180.0° |
| C09 | N08 | C17 | C22 | 2.7° | 0.1° |
| C09 | N08 | C17 | C18 | 179.2° | 179.9° |
| C09 | N08 | C07 | C05 | 4.4° | 0.2° |
| C09 | N08 | C07 | C06 | 177.5° | 179.8° |
| N08 | C09 | H5 | H6 | 118.6° | 120.0° |
| N08 | C09 | C10 | H7 | 168.5° | 58.1° |
| N08 | C17 | C22 | C18 | 177.6° | 180.0° |
| N08 | C17 | C22 | C21 | 179.5° | 180.0° |
| C17 | N08 | C07 | C05 | 179.7° | 179.8° |
| C17 | N08 | C07 | C06 | 1.7° | 0.2° |
| N08 | C17 | C18 | C06 | 2.6° | 0.0° |
| N08 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | N08 | C09 | H5 | 139.8° | 144.4° |
| C17 | N08 | C09 | H6 | 20.8° | 24.4° |
| N08 | C17 | C22 | H18 | 0.5° | 0.0° |
| C07 | N08 | C17 | C22 | 179.4° | 179.9° |
| C07 | N08 | C17 | C18 | 2.6° | 0.1° |
| N08 | C07 | C05 | C06 | 177.8° | 180.0° |
| N08 | C07 | C05 | C04 | 152.6° | 150.3° |
| N08 | C07 | C06 | C18 | 0.1° | 0.2° |
| N08 | C07 | C06 | C02 | 176.5° | 179.8° |
| N08 | C07 | C05 | H3 | 86.7° | 30.7° |
| N08 | C07 | C05 | H4 | 31.9° | 89.7° |
| C07 | N08 | C09 | H5 | 35.8° | 35.7° |
| C07 | N08 | C09 | H6 | 154.9° | 155.7° |
| C17 | C22 | C21 | H18 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 1.4° | 0.0° |
| C22 | C17 | C18 | C06 | 179.3° | 180.0° |
| C22 | C17 | C18 | C19 | 1.1° | 0.0° |
| C17 | C22 | C21 | H17 | 178.6° | 180.0° |
| C21 | C22 | C17 | C18 | 1.8° | 0.0° |
| C22 | C21 | C20 | H17 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H16 | 179.6° | 180.0° |
| C17 | C18 | C06 | C07 | 1.6° | 0.1° |
| C17 | C18 | C06 | C19 | 177.8° | 180.0° |
| C17 | C18 | C06 | C02 | 177.5° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C22 | H18 | 178.2° | 180.0° |
| C07 | C05 | C04 | H3 | 120.7° | 119.6° |
| C07 | C05 | C04 | H4 | 120.7° | 119.9° |
| C07 | C05 | C04 | N03 | 45.6° | 46.9° |
| C05 | C07 | C06 | C18 | 178.3° | 179.8° |
| C05 | C07 | C06 | C02 | 1.7° | 0.2° |
| C07 | C05 | C04 | H1 | 165.7° | 167.7° |
| C07 | C05 | C04 | H2 | 74.5° | 73.8° |
| C07 | C05 | H3 | H4 | 117.8° | 120.3° |
| C04 | C05 | C07 | C06 | 29.6° | 29.7° |
| C05 | C04 | N03 | H1 | 120.1° | 120.8° |
| C05 | C04 | N03 | H2 | 120.1° | 120.7° |
| C05 | C04 | N03 | C02 | 35.7° | 38.7° |
| C05 | C04 | H1 | H2 | 119.8° | 118.5° |
| C04 | C05 | H3 | H4 | 117.7° | 120.5° |
| C05 | C04 | N03 | H19 | 144.2° | 141.3° |
| C07 | C06 | C18 | C02 | 175.9° | 180.0° |
| C07 | C06 | C18 | C19 | 179.4° | 179.9° |
| C07 | C06 | C02 | N03 | 13.5° | 13.6° |
| C07 | C06 | C02 | O01 | 162.0° | 166.7° |
| C06 | C07 | C05 | H3 | 91.1° | 149.3° |
| C06 | C07 | C05 | H4 | 150.3° | 90.4° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | H15 | 179.7° | 179.9° |
| C20 | C21 | C22 | H18 | 178.6° | 180.0° |
| C04 | N03 | C02 | C06 | 6.6° | 7.2° |
| C04 | N03 | C02 | H19 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 177.8° | 172.5° |
| N03 | C04 | H1 | H2 | 119.8° | 118.4° |
| N03 | C04 | C05 | H3 | 75.2° | 166.5° |
| N03 | C04 | C05 | H4 | 166.3° | 73.1° |
| C06 | C18 | C19 | C20 | 177.7° | 180.0° |
| C18 | C06 | C02 | N03 | 171.0° | 166.4° |
| C18 | C06 | C02 | O01 | 13.5° | 13.3° |
| C06 | C18 | C19 | H15 | 2.3° | 0.0° |
| C19 | C18 | C06 | C02 | 4.7° | 0.1° |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C18 | C19 | C20 | H16 | 179.7° | 180.0° |
| C06 | C02 | N03 | O01 | 175.6° | 179.7° |
| C06 | C02 | N03 | H19 | 173.4° | 172.8° |
| C19 | C20 | C21 | H17 | 179.6° | 180.0° |
| C02 | N03 | C04 | H1 | 155.8° | 159.5° |
| C02 | N03 | C04 | H2 | 84.3° | 82.0° |
| O01 | C02 | N03 | H19 | 2.3° | 7.5° |
| H1 | C04 | C05 | H3 | 44.9° | 72.7° |
| H1 | C04 | C05 | H4 | 73.6° | 47.8° |
| H1 | C04 | N03 | H19 | 24.1° | 20.5° |
| H2 | C04 | C05 | H3 | 164.8° | 45.8° |
| H2 | C04 | C05 | H4 | 46.2° | 166.2° |
| H2 | C04 | N03 | H19 | 95.7° | 98.0° |
| H5 | C09 | C10 | H7 | 48.0° | 61.9° |
| H6 | C09 | C10 | H7 | 71.1° | 178.1° |
| H7 | C10 | C11 | H8 | 32.4° | 148.3° |
| H7 | C10 | C11 | H9 | 155.0° | 26.4° |
| H7 | C10 | C15 | H13 | 153.5° | 25.3° |
| H7 | C10 | C15 | H14 | 30.2° | 148.0° |
| H10 | C13 | H11 | H12 | 120.0° | 119.9° |
| H15 | C19 | C20 | H16 | 0.3° | 0.0° |
| H16 | C20 | C21 | H17 | 0.4° | 0.1° |
| H17 | C21 | C22 | H18 | 1.4° | 0.0° |
