BEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P | sing | 1.61Å | 1.52Å | |
| P | O4 | doub | 1.48Å | 1.50Å | |
| P | C19 | sing | 1.82Å | 1.86Å | |
| P | C17 | sing | 1.82Å | 1.81Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C19 | N | sing | 1.47Å | 1.45Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C17 | C8 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.24Å | |
| C9 | O1 | sing | 1.34Å | 1.24Å | |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P | O4 | 112.1° | 109.4° |
| O3 | P | C19 | 87.4° | 109.5° |
| O3 | P | C17 | 108.3° | 109.5° |
| P | O3 | H23 | 109.5° | 113.9° |
| O4 | P | C19 | 119.6° | 109.5° |
| O4 | P | C17 | 113.2° | 109.5° |
| C19 | P | C17 | 113.0° | 109.5° |
| P | C19 | C18 | 114.3° | 109.5° |
| P | C19 | N | 118.5° | 109.4° |
| P | C19 | H19 | 102.6° | 109.5° |
| P | C17 | C8 | 110.0° | 109.4° |
| P | C17 | H17 | 109.3° | 109.5° |
| P | C17 | H17A | 109.2° | 109.5° |
| C18 | C19 | N | 118.7° | 109.4° |
| C18 | C19 | H19 | 102.2° | 109.5° |
| C19 | C18 | C15 | 117.5° | 109.4° |
| C19 | C18 | H18 | 106.9° | 109.5° |
| C19 | C18 | H18A | 105.0° | 109.5° |
| N | C19 | H19 | 94.8° | 109.5° |
| C19 | N | HN | 109.5° | 111.0° |
| C19 | N | HNA | 109.5° | 111.0° |
| C15 | C18 | H18 | 106.9° | 109.4° |
| C15 | C18 | H18A | 105.0° | 109.5° |
| C18 | C15 | C16 | 113.5° | 109.5° |
| C18 | C15 | H15 | 108.1° | 109.5° |
| C18 | C15 | H15A | 107.2° | 109.5° |
| H18 | C18 | H18A | 116.0° | 109.5° |
| C16 | C15 | H15 | 108.1° | 109.4° |
| C16 | C15 | H15A | 107.2° | 109.5° |
| C15 | C16 | C10 | 119.5° | 120.0° |
| C15 | C16 | C13 | 121.6° | 120.0° |
| H15 | C15 | H15A | 112.7° | 109.4° |
| C10 | C16 | C13 | 118.9° | 120.0° |
| C16 | C10 | C11 | 120.6° | 120.0° |
| C16 | C10 | H10 | 119.7° | 120.0° |
| C16 | C13 | C14 | 121.2° | 120.0° |
| C16 | C13 | H13 | 119.4° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.1° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C12 | C11 | H11 | 120.3° | 120.0° |
| C11 | C12 | C14 | 120.8° | 120.0° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C14 | C12 | H12 | 119.6° | 120.0° |
| C12 | C14 | C13 | 119.0° | 120.0° |
| C12 | C14 | H14 | 120.5° | 120.0° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| C14 | C13 | H13 | 119.4° | 119.9° |
| HN | N | HNA | 109.5° | 111.0° |
| C8 | C17 | H17 | 109.3° | 109.4° |
| C8 | C17 | H17A | 109.2° | 109.5° |
| C17 | C8 | C9 | 107.5° | 109.5° |
| C17 | C8 | C7 | 112.1° | 109.5° |
| C17 | C8 | H8 | 109.4° | 109.5° |
| H17 | C17 | H17A | 109.9° | 109.5° |
| C9 | C8 | C7 | 110.3° | 109.5° |
| C9 | C8 | H8 | 111.2° | 109.4° |
| C8 | C9 | O2 | 118.3° | 120.0° |
| C8 | C9 | O1 | 119.6° | 120.0° |
| C7 | C8 | H8 | 106.4° | 109.5° |
| C8 | C7 | C1 | 111.3° | 109.5° |
| C8 | C7 | H7 | 108.9° | 109.4° |
| C8 | C7 | H7A | 108.5° | 109.5° |
| O2 | C9 | O1 | 122.0° | 120.0° |
| C9 | O1 | H24 | 109.5° | 117.0° |
| C1 | C7 | H7 | 108.9° | 109.5° |
| C1 | C7 | H7A | 108.4° | 109.5° |
| C7 | C1 | C2 | 119.6° | 120.0° |
| C7 | C1 | C5 | 121.6° | 120.0° |
| H7 | C7 | H7A | 110.9° | 109.5° |
| C2 | C1 | C5 | 118.9° | 120.0° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C1 | C5 | C6 | 120.5° | 120.0° |
| C1 | C5 | H5 | 119.8° | 120.0° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C6 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C6 | C4 | H4 | 120.2° | 119.9° |
| C4 | C6 | C5 | 120.2° | 120.0° |
| C4 | C6 | H6 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O4 | C19 | 100.0° | 120.0° |
| O3 | P | O4 | C17 | 122.9° | 120.0° |
| O3 | P | C19 | C17 | 108.7° | 120.0° |
| O3 | P | C19 | C18 | 106.8° | 59.9° |
| O3 | P | C19 | N | 105.6° | 60.0° |
| O3 | P | C19 | H19 | 3.0° | 180.0° |
| O3 | P | C17 | C8 | 50.0° | 65.0° |
| O3 | P | C17 | H17 | 170.0° | 175.0° |
| O3 | P | C17 | H17A | 69.8° | 55.0° |
| O4 | P | C19 | C17 | 137.2° | 120.0° |
| O4 | P | C19 | C18 | 139.1° | 60.0° |
| O4 | P | C19 | N | 8.5° | 180.0° |
| O4 | P | C19 | H19 | 111.1° | 60.0° |
| O4 | P | C17 | C8 | 75.0° | 55.0° |
| O4 | P | C17 | H17 | 45.0° | 65.0° |
| O4 | P | C17 | H17A | 165.2° | 175.0° |
| O4 | P | O3 | H23 | 175.2° | 180.0° |
| P | C19 | C18 | N | 147.5° | 120.0° |
| P | C19 | C18 | H19 | 110.0° | 120.0° |
| P | C19 | N | H19 | 107.1° | 120.0° |
| P | C19 | C18 | C15 | 114.4° | 60.0° |
| P | C19 | C18 | H18 | 125.6° | 60.0° |
| P | C19 | C18 | H18A | 1.8° | 180.0° |
| P | C19 | N | HN | 36.9° | 60.0° |
| P | C19 | N | HNA | 156.9° | 64.0° |
| C19 | P | C17 | C8 | 145.0° | 175.0° |
| C19 | P | C17 | H17 | 95.0° | 55.0° |
| C19 | P | C17 | H17A | 25.2° | 65.0° |
| C19 | P | O3 | H23 | 54.2° | 60.0° |
| C17 | P | C19 | C18 | 1.9° | 180.0° |
| C17 | P | C19 | N | 145.6° | 60.0° |
| C17 | P | C19 | H19 | 111.7° | 60.0° |
| P | C17 | C8 | H17 | 120.0° | 120.0° |
| P | C17 | C8 | H17A | 119.8° | 120.0° |
| P | C17 | H17 | H17A | 119.8° | 120.0° |
| P | C17 | C8 | C9 | 149.7° | 75.0° |
| P | C17 | C8 | C7 | 89.0° | 165.0° |
| P | C17 | C8 | H8 | 28.8° | 45.0° |
| C17 | P | O3 | H23 | 59.1° | 60.0° |
| C18 | C19 | N | H19 | 106.7° | 120.0° |
| C19 | C18 | C15 | H18 | 120.0° | 120.0° |
| C19 | C18 | C15 | H18A | 116.3° | 120.0° |
| C19 | C18 | H18 | H18A | 116.7° | 120.0° |
| C19 | C18 | C15 | C16 | 162.9° | 180.0° |
| C19 | C18 | C15 | H15 | 77.1° | 60.0° |
| C19 | C18 | C15 | H15A | 44.6° | 60.0° |
| C18 | C19 | N | HN | 177.0° | 60.0° |
| C18 | C19 | N | HNA | 57.0° | 176.0° |
| N | C19 | C18 | C15 | 33.0° | 180.0° |
| N | C19 | C18 | H18 | 86.9° | 60.0° |
| N | C19 | C18 | H18A | 149.3° | 60.0° |
| C19 | N | HN | HNA | 120.0° | 124.0° |
| H19 | C19 | C18 | C15 | 135.5° | 60.0° |
| H19 | C19 | C18 | H18 | 15.5° | 180.0° |
| H19 | C19 | C18 | H18A | 108.2° | 60.0° |
| H19 | C19 | N | HN | 70.2° | 180.0° |
| H19 | C19 | N | HNA | 49.8° | 56.0° |
| C15 | C18 | H18 | H18A | 116.7° | 120.0° |
| C18 | C15 | C16 | H15 | 120.0° | 120.0° |
| C18 | C15 | C16 | H15A | 118.2° | 120.0° |
| C18 | C15 | H15 | H15A | 118.3° | 120.0° |
| C18 | C15 | C16 | C10 | 127.9° | 90.0° |
| C18 | C15 | C16 | C13 | 52.7° | 90.3° |
| H18 | C18 | C15 | C16 | 42.9° | 60.0° |
| H18 | C18 | C15 | H15 | 162.9° | 180.0° |
| H18 | C18 | C15 | H15A | 75.4° | 60.0° |
| H18A | C18 | C15 | C16 | 80.9° | 60.0° |
| H18A | C18 | C15 | H15 | 39.1° | 60.0° |
| H18A | C18 | C15 | H15A | 160.9° | 180.0° |
| C16 | C15 | H15 | H15A | 118.3° | 120.0° |
| C15 | C16 | C10 | C13 | 179.4° | 179.7° |
| C15 | C16 | C10 | C11 | 179.7° | 180.0° |
| C15 | C16 | C10 | H10 | 0.3° | 0.0° |
| C15 | C16 | C13 | C14 | 179.6° | 179.8° |
| C15 | C16 | C13 | H13 | 0.4° | 0.0° |
| H15 | C15 | C16 | C10 | 7.9° | 30.0° |
| H15 | C15 | C16 | C13 | 172.7° | 149.7° |
| H15A | C15 | C16 | C10 | 113.8° | 150.0° |
| H15A | C15 | C16 | C13 | 65.5° | 29.8° |
| C16 | C10 | C11 | H10 | 180.0° | 179.9° |
| C16 | C10 | C11 | C12 | 0.3° | 0.1° |
| C16 | C10 | C11 | H11 | 179.7° | 179.9° |
| C10 | C16 | C13 | C14 | 0.2° | 0.5° |
| C10 | C16 | C13 | H13 | 179.8° | 179.7° |
| C13 | C16 | C10 | C11 | 0.3° | 0.3° |
| C13 | C16 | C10 | H10 | 179.7° | 179.7° |
| C16 | C13 | C14 | C12 | 0.1° | 0.5° |
| C16 | C13 | C14 | H13 | 180.0° | 179.8° |
| C16 | C13 | C14 | H14 | 179.9° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 0.2° | 0.1° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| H10 | C10 | C11 | C12 | 179.7° | 180.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| C11 | C12 | C14 | H12 | 180.0° | 179.9° |
| C11 | C12 | C14 | C13 | 0.1° | 0.2° |
| C11 | C12 | C14 | H14 | 179.9° | 179.9° |
| H11 | C11 | C12 | C14 | 179.8° | 180.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.1° |
| C12 | C14 | C13 | H14 | 180.0° | 179.8° |
| C12 | C14 | C13 | H13 | 179.9° | 179.7° |
| H12 | C12 | C14 | C13 | 179.9° | 179.9° |
| H12 | C12 | C14 | H14 | 0.1° | 0.0° |
| H14 | C14 | C13 | H13 | 0.1° | 0.1° |
| C8 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C8 | C9 | C7 | 122.4° | 120.0° |
| C17 | C8 | C9 | H8 | 119.7° | 120.0° |
| C17 | C8 | C7 | H8 | 119.6° | 120.1° |
| C17 | C8 | C9 | O2 | 114.5° | 0.0° |
| C17 | C8 | C9 | O1 | 66.7° | 180.0° |
| C17 | C8 | C7 | C1 | 176.8° | 175.0° |
| C17 | C8 | C7 | H7 | 63.2° | 55.0° |
| C17 | C8 | C7 | H7A | 57.6° | 65.0° |
| H17 | C17 | C8 | C9 | 90.3° | 165.0° |
| H17 | C17 | C8 | C7 | 31.0° | 45.0° |
| H17 | C17 | C8 | H8 | 148.8° | 75.0° |
| H17A | C17 | C8 | C9 | 29.9° | 45.0° |
| H17A | C17 | C8 | C7 | 151.2° | 75.0° |
| H17A | C17 | C8 | H8 | 91.0° | 165.0° |
| C9 | C8 | C7 | H8 | 120.7° | 120.0° |
| C8 | C9 | O2 | O1 | 178.8° | 180.0° |
| C9 | C8 | C7 | C1 | 57.1° | 65.0° |
| C9 | C8 | C7 | H7 | 177.1° | 175.0° |
| C9 | C8 | C7 | H7A | 62.1° | 55.0° |
| C8 | C9 | O1 | H24 | 178.7° | 180.0° |
| C7 | C8 | C9 | O2 | 123.1° | 120.0° |
| C7 | C8 | C9 | O1 | 55.7° | 60.0° |
| C8 | C7 | C1 | H7 | 120.0° | 120.0° |
| C8 | C7 | C1 | H7A | 119.2° | 120.0° |
| C8 | C7 | H7 | H7A | 119.3° | 120.0° |
| C8 | C7 | C1 | C2 | 99.8° | 90.0° |
| C8 | C7 | C1 | C5 | 80.5° | 90.3° |
| H8 | C8 | C9 | O2 | 5.2° | 120.0° |
| H8 | C8 | C9 | O1 | 173.6° | 60.0° |
| H8 | C8 | C7 | C1 | 63.6° | 55.0° |
| H8 | C8 | C7 | H7 | 56.4° | 65.0° |
| H8 | C8 | C7 | H7A | 177.2° | 175.0° |
| O2 | C9 | O1 | H24 | 0.0° | 0.0° |
| C1 | C7 | H7 | H7A | 119.2° | 120.0° |
| C7 | C1 | C2 | C5 | 179.8° | 179.7° |
| C7 | C1 | C2 | C3 | 179.7° | 180.0° |
| C7 | C1 | C2 | H2 | 0.4° | 0.0° |
| C7 | C1 | C5 | C6 | 179.1° | 179.8° |
| C7 | C1 | C5 | H5 | 0.8° | 0.1° |
| H7 | C7 | C1 | C2 | 20.2° | 30.0° |
| H7 | C7 | C1 | C5 | 159.5° | 149.7° |
| H7A | C7 | C1 | C2 | 141.0° | 150.0° |
| H7A | C7 | C1 | C5 | 38.7° | 29.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C5 | C6 | 1.1° | 0.5° |
| C2 | C1 | C5 | H5 | 178.9° | 179.7° |
| C5 | C1 | C2 | C3 | 0.6° | 0.3° |
| C5 | C1 | C2 | H2 | 179.4° | 179.7° |
| C1 | C5 | C6 | C4 | 1.0° | 0.4° |
| C1 | C5 | C6 | H5 | 180.0° | 179.8° |
| C1 | C5 | C6 | H6 | 179.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C3 | C4 | C6 | C5 | 0.3° | 0.1° |
| C3 | C4 | C6 | H6 | 179.7° | 180.0° |
| H3 | C3 | C4 | C6 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | H5 | 179.0° | 179.8° |
| H4 | C4 | C6 | C5 | 179.7° | 179.9° |
| H4 | C4 | C6 | H6 | 0.3° | 0.0° |
| H6 | C6 | C5 | H5 | 1.0° | 0.1° |
