B5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | sing | 1.43Å | 1.40Å | |
| C30 | C32 | sing | 1.55Å | 1.31Å | |
| C30 | C13 | sing | 1.55Å | 1.57Å | |
| C32 | O33 | sing | 1.43Å | 1.41Å | |
| C32 | C11 | sing | 1.54Å | 1.64Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | O12 | sing | 1.44Å | 1.53Å | |
| N01 | C02 | sing | 1.38Å | 1.45Å | |
| C02 | N10 | doub | 1.33Å | 1.32Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.43Å | Aromatic |
| N10 | C09 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | N04 | sing | 1.35Å | 1.36Å | Aromatic |
| C03 | C07 | doub | 1.41Å | 1.37Å | Aromatic |
| C09 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| N04 | C05 | doub | 1.30Å | 1.33Å | Aromatic |
| C14 | O15 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | N08 | sing | 1.33Å | 1.36Å | Aromatic |
| C07 | N06 | sing | 1.37Å | 1.37Å | Aromatic |
| C05 | N06 | sing | 1.36Å | 1.35Å | Aromatic |
| N06 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | O12 | sing | 1.43Å | 1.31Å | |
| O25 | C24 | sing | 1.36Å | 1.39Å | |
| C24 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| O28 | P16 | doub | 1.48Å | 1.53Å | |
| C21 | C26 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.54Å | |
| O15 | P16 | sing | 1.61Å | 1.66Å | |
| O17 | P16 | sing | 1.61Å | 1.70Å | |
| O17 | C18 | sing | 1.35Å | 1.43Å | |
| P16 | O29 | sing | 1.61Å | 1.52Å | |
| C18 | O27 | doub | 1.21Å | 1.19Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| O25 | H17 | sing | 0.97Å | 0.95Å | |
| O29 | H18 | sing | 0.97Å | 0.95Å | |
| O31 | H19 | sing | 0.97Å | 0.95Å | |
| O33 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | C32 | 115.4° | 111.1° |
| O31 | C30 | C13 | 113.1° | 111.1° |
| O31 | C30 | H13 | 107.1° | 111.0° |
| C30 | O31 | H19 | 109.5° | 114.0° |
| C32 | C30 | C13 | 107.1° | 101.0° |
| C30 | C32 | O33 | 112.4° | 110.9° |
| C30 | C32 | C11 | 106.0° | 102.2° |
| C32 | C30 | H13 | 108.4° | 111.2° |
| C30 | C32 | H14 | 112.1° | 110.8° |
| C30 | C13 | C14 | 117.5° | 110.3° |
| C30 | C13 | O12 | 103.9° | 105.1° |
| C30 | C13 | H1 | 108.5° | 110.4° |
| C13 | C30 | H13 | 105.2° | 111.1° |
| O33 | C32 | C11 | 108.0° | 110.9° |
| O33 | C32 | H14 | 110.5° | 110.8° |
| C32 | O33 | H20 | 109.5° | 114.0° |
| C32 | C11 | N06 | 109.6° | 109.9° |
| C32 | C11 | O12 | 104.8° | 107.6° |
| C32 | C11 | H9 | 104.5° | 109.9° |
| C11 | C32 | H14 | 107.6° | 111.0° |
| C14 | C13 | O12 | 108.4° | 110.3° |
| C13 | C14 | O15 | 102.2° | 109.5° |
| C14 | C13 | H1 | 109.1° | 110.2° |
| C13 | C14 | H10 | 111.3° | 109.4° |
| C13 | C14 | H11 | 111.3° | 109.5° |
| C13 | O12 | C11 | 105.5° | 110.0° |
| O12 | C13 | H1 | 109.1° | 110.3° |
| N01 | C02 | N10 | 119.7° | 120.8° |
| N01 | C02 | C03 | 121.8° | 120.8° |
| C02 | N01 | H15 | 109.5° | 120.0° |
| C02 | N01 | H16 | 109.5° | 120.0° |
| N10 | C02 | C03 | 118.5° | 118.4° |
| C02 | N10 | C09 | 120.9° | 121.2° |
| C02 | C03 | N04 | 132.7° | 134.7° |
| C02 | C03 | C07 | 119.2° | 118.1° |
| N10 | C09 | N08 | 122.3° | 122.5° |
| N10 | C09 | H8 | 118.8° | 118.7° |
| N04 | C03 | C07 | 108.1° | 107.1° |
| C03 | N04 | C05 | 108.1° | 109.4° |
| C03 | C07 | N08 | 118.2° | 119.1° |
| C03 | C07 | N06 | 106.8° | 106.0° |
| C09 | N08 | C07 | 121.0° | 120.6° |
| N08 | C09 | H8 | 118.9° | 118.8° |
| N04 | C05 | N06 | 109.6° | 110.0° |
| N04 | C05 | H7 | 125.2° | 125.0° |
| C14 | O15 | P16 | 123.1° | 123.0° |
| O15 | C14 | H10 | 111.2° | 109.5° |
| O15 | C14 | H11 | 111.3° | 109.5° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C23 | C22 | C21 | 118.9° | 120.4° |
| C23 | C22 | H3 | 120.6° | 119.8° |
| C22 | C23 | H12 | 119.9° | 120.0° |
| C23 | C24 | O25 | 118.6° | 120.2° |
| C23 | C24 | C19 | 121.6° | 119.7° |
| C24 | C23 | H12 | 120.0° | 120.0° |
| C22 | C21 | C26 | 119.9° | 119.8° |
| C22 | C21 | C20 | 120.6° | 120.3° |
| C21 | C22 | H3 | 120.5° | 119.9° |
| N08 | C07 | N06 | 135.0° | 134.9° |
| C07 | N06 | C05 | 107.4° | 107.4° |
| C07 | N06 | C11 | 128.4° | 126.3° |
| C05 | N06 | C11 | 123.9° | 126.3° |
| N06 | C05 | H7 | 125.2° | 125.0° |
| N06 | C11 | O12 | 122.3° | 109.8° |
| N06 | C11 | H9 | 106.1° | 109.8° |
| O12 | C11 | H9 | 108.2° | 109.8° |
| O25 | C24 | C19 | 119.8° | 120.1° |
| C24 | O25 | H17 | 109.5° | 114.0° |
| C24 | C19 | C20 | 117.9° | 119.6° |
| C24 | C19 | C18 | 123.8° | 120.2° |
| O28 | P16 | O15 | 105.2° | 109.5° |
| O28 | P16 | O17 | 114.4° | 109.5° |
| O28 | P16 | O29 | 107.5° | 109.5° |
| C26 | C21 | C20 | 119.4° | 119.8° |
| C21 | C26 | H4 | 109.5° | 109.5° |
| C21 | C26 | H5 | 109.5° | 109.5° |
| C21 | C26 | H6 | 109.5° | 109.5° |
| C21 | C20 | C19 | 120.8° | 119.9° |
| C21 | C20 | H2 | 119.6° | 120.1° |
| C20 | C19 | C18 | 118.4° | 120.2° |
| C19 | C20 | H2 | 119.6° | 120.0° |
| C19 | C18 | O17 | 122.8° | 120.0° |
| C19 | C18 | O27 | 116.1° | 120.0° |
| O15 | P16 | O17 | 115.2° | 109.4° |
| O15 | P16 | O29 | 106.3° | 109.5° |
| P16 | O17 | C18 | 125.6° | 116.9° |
| O17 | P16 | O29 | 107.6° | 109.5° |
| O17 | C18 | O27 | 121.1° | 120.0° |
| P16 | O29 | H18 | 109.5° | 114.0° |
| H4 | C26 | H5 | 109.4° | 109.5° |
| H4 | C26 | H6 | 109.5° | 109.4° |
| H5 | C26 | H6 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H15 | N01 | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | C32 | C13 | 126.9° | 117.9° |
| O31 | C30 | C32 | H13 | 120.1° | 124.1° |
| O31 | C30 | C13 | H13 | 116.6° | 124.1° |
| O31 | C30 | C32 | O33 | 23.9° | 34.4° |
| O31 | C30 | C32 | C11 | 141.6° | 83.8° |
| O31 | C30 | C13 | C14 | 3.9° | 37.5° |
| O31 | C30 | C13 | O12 | 123.5° | 81.5° |
| O31 | C30 | C13 | H1 | 120.4° | 159.5° |
| O31 | C30 | C32 | H14 | 101.3° | 157.9° |
| C32 | C30 | C13 | H13 | 115.2° | 118.0° |
| C30 | C32 | O33 | C11 | 116.5° | 112.8° |
| C30 | C32 | O33 | H14 | 126.1° | 123.5° |
| C30 | C32 | C11 | H14 | 120.1° | 118.2° |
| C32 | C30 | C13 | C14 | 124.4° | 155.4° |
| C32 | C30 | C13 | O12 | 4.7° | 36.4° |
| C30 | C32 | C11 | N06 | 99.2° | 140.9° |
| C30 | C32 | C11 | O12 | 33.7° | 21.3° |
| C32 | C30 | C13 | H1 | 111.3° | 82.5° |
| C30 | C32 | C11 | H9 | 147.4° | 98.2° |
| C32 | C30 | O31 | H19 | 180.0° | 61.4° |
| C30 | C32 | O33 | H20 | 180.0° | 61.5° |
| C13 | C30 | C32 | O33 | 103.0° | 152.3° |
| C13 | C30 | C32 | C11 | 14.7° | 34.1° |
| C30 | C13 | C14 | O12 | 117.3° | 115.8° |
| C30 | C13 | C14 | H1 | 124.0° | 122.2° |
| C30 | C13 | O12 | H1 | 115.6° | 119.0° |
| C30 | C13 | C14 | O15 | 162.7° | 177.8° |
| C30 | C13 | O12 | C11 | 27.2° | 24.4° |
| C30 | C13 | C14 | H10 | 43.9° | 62.2° |
| C30 | C13 | C14 | H11 | 78.5° | 57.7° |
| C13 | C30 | C32 | H14 | 131.8° | 84.2° |
| C13 | C30 | O31 | H19 | 56.2° | 173.0° |
| O33 | C32 | C11 | H14 | 119.3° | 123.6° |
| O33 | C32 | C11 | N06 | 140.2° | 100.9° |
| O33 | C32 | C11 | O12 | 86.9° | 139.5° |
| O33 | C32 | C11 | H9 | 26.8° | 20.0° |
| O33 | C32 | C30 | H13 | 144.0° | 89.7° |
| C32 | C11 | O12 | C13 | 35.2° | 1.7° |
| C32 | C11 | N06 | C07 | 79.0° | 85.4° |
| C32 | C11 | N06 | C05 | 108.1° | 94.6° |
| C32 | C11 | N06 | O12 | 123.1° | 118.2° |
| C32 | C11 | N06 | H9 | 112.3° | 120.9° |
| C32 | C11 | O12 | H9 | 111.0° | 119.6° |
| C11 | C32 | C30 | H13 | 98.3° | 152.1° |
| C11 | C32 | O33 | H20 | 63.5° | 174.3° |
| C14 | C13 | O12 | H1 | 118.7° | 122.0° |
| C13 | C14 | O15 | H10 | 118.8° | 119.9° |
| C13 | C14 | O15 | H11 | 118.8° | 120.1° |
| C14 | C13 | O12 | C11 | 152.9° | 143.4° |
| C13 | C14 | O15 | P16 | 125.0° | 180.0° |
| C13 | C14 | H10 | H11 | 123.4° | 120.0° |
| C14 | C13 | C30 | H13 | 120.4° | 86.6° |
| O12 | C13 | C14 | O15 | 45.4° | 66.4° |
| C13 | O12 | C11 | N06 | 90.1° | 117.9° |
| C13 | O12 | C11 | H9 | 146.3° | 121.3° |
| O12 | C13 | C14 | H10 | 73.4° | 53.6° |
| O12 | C13 | C14 | H11 | 164.2° | 173.5° |
| O12 | C13 | C30 | H13 | 119.9° | 154.4° |
| N01 | C02 | N10 | C03 | 179.6° | 179.9° |
| N01 | C02 | N10 | C09 | 179.8° | 179.8° |
| N01 | C02 | C03 | N04 | 0.4° | 0.2° |
| N01 | C02 | C03 | C07 | 179.4° | 179.8° |
| C02 | N01 | H15 | H16 | 120.0° | 179.9° |
| N10 | C02 | C03 | N04 | 179.2° | 180.0° |
| N10 | C02 | C03 | C07 | 0.2° | 0.1° |
| C02 | N10 | C09 | N08 | 0.7° | 0.1° |
| C02 | N10 | C09 | H8 | 179.3° | 179.9° |
| N10 | C02 | N01 | H15 | 0.0° | 0.1° |
| N10 | C02 | N01 | H16 | 120.0° | 180.0° |
| C03 | C02 | N10 | C09 | 0.5° | 0.1° |
| C02 | C03 | N04 | C07 | 179.1° | 180.0° |
| C02 | C03 | N04 | C05 | 179.9° | 179.9° |
| C02 | C03 | C07 | N08 | 0.8° | 0.0° |
| C02 | C03 | C07 | N06 | 178.8° | 179.9° |
| C03 | C02 | N01 | H15 | 179.6° | 179.8° |
| C03 | C02 | N01 | H16 | 60.4° | 0.2° |
| N10 | C09 | N08 | H8 | 180.0° | 179.9° |
| N10 | C09 | N08 | C07 | 0.1° | 0.0° |
| N04 | C03 | C07 | N08 | 180.0° | 180.0° |
| N04 | C03 | C07 | N06 | 0.5° | 0.0° |
| C03 | N04 | C05 | N06 | 1.8° | 0.0° |
| C03 | N04 | C05 | H7 | 178.3° | 180.0° |
| C03 | C07 | N08 | C09 | 0.7° | 0.0° |
| C07 | C03 | N04 | C05 | 0.8° | 0.0° |
| C03 | C07 | N08 | N06 | 179.4° | 179.9° |
| C03 | C07 | N06 | C05 | 1.5° | 0.0° |
| C03 | C07 | N06 | C11 | 175.4° | 180.0° |
| C09 | N08 | C07 | N06 | 178.7° | 180.0° |
| N04 | C05 | N06 | C07 | 2.0° | 0.0° |
| N04 | C05 | N06 | H7 | 180.0° | 179.9° |
| N04 | C05 | N06 | C11 | 176.2° | 180.0° |
| C14 | O15 | P16 | O28 | 28.4° | 54.9° |
| C14 | O15 | P16 | O17 | 98.7° | 175.0° |
| C14 | O15 | P16 | O29 | 142.3° | 65.1° |
| O15 | C14 | C13 | H1 | 73.3° | 55.7° |
| O15 | C14 | H10 | H11 | 123.4° | 120.0° |
| C22 | C23 | C24 | H12 | 180.0° | 179.7° |
| C23 | C22 | C21 | H3 | 180.0° | 180.0° |
| C22 | C23 | C24 | O25 | 179.4° | 179.7° |
| C22 | C23 | C24 | C19 | 0.1° | 0.4° |
| C23 | C22 | C21 | C26 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.3° |
| C23 | C24 | O25 | C19 | 179.5° | 179.9° |
| C23 | C24 | C19 | C20 | 0.2° | 0.1° |
| C23 | C24 | C19 | C18 | 179.9° | 179.9° |
| C24 | C23 | C22 | H3 | 179.6° | 179.7° |
| C23 | C24 | O25 | H17 | 180.0° | 89.9° |
| C22 | C21 | C26 | C20 | 179.5° | 180.0° |
| C22 | C21 | C20 | C19 | 0.4° | 0.3° |
| C22 | C21 | C20 | H2 | 179.6° | 180.0° |
| C22 | C21 | C26 | H4 | 90.3° | 90.1° |
| C22 | C21 | C26 | H5 | 149.8° | 30.0° |
| C22 | C21 | C26 | H6 | 29.8° | 150.0° |
| C21 | C22 | C23 | H12 | 179.6° | 180.0° |
| N08 | C07 | N06 | C05 | 179.0° | 180.0° |
| N08 | C07 | N06 | C11 | 5.2° | 0.0° |
| C07 | N08 | C09 | H8 | 179.9° | 179.9° |
| C07 | N06 | C05 | C11 | 174.2° | 180.0° |
| C07 | N06 | C11 | O12 | 157.9° | 156.4° |
| C07 | N06 | C05 | H7 | 178.0° | 179.9° |
| C07 | N06 | C11 | H9 | 33.3° | 35.6° |
| C05 | N06 | C11 | O12 | 15.0° | 23.6° |
| C05 | N06 | C11 | H9 | 139.6° | 144.4° |
| N06 | C11 | O12 | H9 | 123.7° | 120.8° |
| C11 | N06 | C05 | H7 | 3.8° | 0.1° |
| N06 | C11 | C32 | H14 | 20.9° | 22.7° |
| C11 | O12 | C13 | H1 | 88.5° | 94.6° |
| O12 | C11 | C32 | H14 | 153.8° | 96.9° |
| O25 | C24 | C19 | C20 | 179.6° | 180.0° |
| O25 | C24 | C19 | C18 | 0.6° | 0.0° |
| O25 | C24 | C23 | H12 | 0.6° | 0.0° |
| C24 | C19 | C20 | C21 | 0.0° | 0.2° |
| C24 | C19 | C20 | C18 | 179.7° | 180.0° |
| C24 | C19 | C18 | O17 | 17.6° | 180.0° |
| C24 | C19 | C18 | O27 | 162.8° | 0.1° |
| C24 | C19 | C20 | H2 | 180.0° | 180.0° |
| C19 | C24 | C23 | H12 | 180.0° | 180.0° |
| C19 | C24 | O25 | H17 | 0.5° | 90.0° |
| O28 | P16 | O15 | O17 | 127.0° | 120.1° |
| O28 | P16 | O15 | O29 | 113.9° | 120.0° |
| O28 | P16 | O17 | O29 | 119.4° | 120.0° |
| O28 | P16 | O17 | C18 | 153.7° | 55.0° |
| O28 | P16 | O29 | H18 | 0.0° | 180.0° |
| C26 | C21 | C20 | C19 | 179.9° | 179.8° |
| C26 | C21 | C20 | H2 | 0.1° | 0.0° |
| C26 | C21 | C22 | H3 | 0.1° | 0.0° |
| C21 | C26 | H4 | H5 | 120.0° | 120.0° |
| C21 | C26 | H4 | H6 | 120.0° | 120.0° |
| C21 | C26 | H5 | H6 | 120.0° | 120.0° |
| C21 | C20 | C19 | H2 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 179.7° | 179.8° |
| C20 | C21 | C22 | H3 | 179.4° | 180.0° |
| C20 | C21 | C26 | H4 | 90.2° | 90.0° |
| C20 | C21 | C26 | H5 | 29.8° | 150.0° |
| C20 | C21 | C26 | H6 | 149.8° | 30.0° |
| C20 | C19 | C18 | O17 | 162.1° | 0.0° |
| C20 | C19 | C18 | O27 | 17.5° | 180.0° |
| C19 | C18 | O17 | P16 | 152.6° | 180.0° |
| C19 | C18 | O17 | O27 | 179.5° | 180.0° |
| C18 | C19 | C20 | H2 | 0.3° | 0.0° |
| O15 | P16 | O17 | O29 | 118.3° | 120.0° |
| O15 | P16 | O17 | C18 | 31.5° | 175.0° |
| P16 | O15 | C14 | H10 | 116.2° | 60.1° |
| P16 | O15 | C14 | H11 | 6.2° | 59.9° |
| O15 | P16 | O29 | H18 | 112.3° | 60.0° |
| P16 | O17 | C18 | O27 | 26.9° | 0.0° |
| O17 | P16 | O29 | H18 | 123.8° | 60.0° |
| C18 | O17 | P16 | O29 | 86.9° | 65.0° |
| H1 | C13 | C14 | H10 | 167.9° | 175.6° |
| H1 | C13 | C14 | H11 | 45.5° | 64.4° |
| H1 | C13 | C30 | H13 | 3.9° | 35.4° |
| H3 | C22 | C23 | H12 | 0.4° | 0.0° |
| H4 | C26 | H5 | H6 | 120.0° | 119.9° |
| H9 | C11 | C32 | H14 | 92.5° | 143.6° |
| H13 | C30 | C32 | H14 | 18.8° | 33.7° |
| H13 | C30 | O31 | H19 | 59.2° | 62.8° |
| H14 | C32 | O33 | H20 | 53.9° | 62.0° |
