UW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P1 | doub | 1.48Å | 1.55Å | |
| O5 | P1 | sing | 1.61Å | 1.54Å | |
| P1 | O3 | sing | 1.61Å | 1.52Å | |
| P1 | C13 | sing | 1.82Å | 1.77Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C11 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| N1 | O2 | sing | 1.42Å | 1.43Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | doub | 1.38Å | 1.29Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.26Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.38Å | 1.19Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.60Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O5 | H18 | sing | 0.97Å | 0.95Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | P1 | O5 | 109.3° | 109.5° |
| O4 | P1 | O3 | 112.8° | 109.4° |
| O4 | P1 | C13 | 107.3° | 109.5° |
| O5 | P1 | O3 | 110.9° | 109.5° |
| O5 | P1 | C13 | 105.3° | 109.5° |
| P1 | O5 | H18 | 109.5° | 114.0° |
| O3 | P1 | C13 | 110.9° | 109.5° |
| P1 | O3 | H17 | 109.5° | 114.0° |
| P1 | C13 | C12 | 115.4° | 109.5° |
| P1 | C13 | C14 | 119.6° | 109.5° |
| P1 | C13 | H7 | 99.0° | 109.5° |
| C13 | C12 | C11 | 117.9° | 109.5° |
| C12 | C13 | C14 | 116.1° | 109.4° |
| C12 | C13 | H7 | 100.6° | 109.5° |
| C13 | C12 | H12 | 107.3° | 109.4° |
| C13 | C12 | H13 | 107.3° | 109.5° |
| C12 | C11 | C1 | 110.9° | 109.4° |
| C12 | C11 | H10 | 109.1° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.4° |
| C11 | C12 | H12 | 107.3° | 109.5° |
| C11 | C12 | H13 | 107.3° | 109.5° |
| C13 | C14 | C15 | 115.8° | 119.9° |
| C13 | C14 | C19 | 125.9° | 120.0° |
| C14 | C13 | H7 | 100.6° | 109.5° |
| O1 | C1 | C11 | 115.8° | 120.0° |
| O1 | C1 | N1 | 120.1° | 120.0° |
| C11 | C1 | N1 | 124.1° | 120.0° |
| C1 | C11 | H10 | 109.1° | 109.5° |
| C1 | C11 | H11 | 109.1° | 109.5° |
| C1 | N1 | O2 | 115.1° | 120.0° |
| C1 | N1 | C2 | 127.0° | 120.0° |
| C15 | C14 | C19 | 118.2° | 120.0° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | H8 | 119.7° | 120.1° |
| C14 | C19 | C18 | 112.1° | 120.0° |
| C14 | C19 | H16 | 123.9° | 120.0° |
| C15 | C16 | C17 | 111.2° | 120.0° |
| C16 | C15 | H8 | 119.7° | 120.0° |
| C15 | C16 | H14 | 124.4° | 120.0° |
| O2 | N1 | C2 | 117.9° | 120.0° |
| N1 | O2 | H19 | 109.5° | 114.0° |
| N1 | C2 | C3 | 117.3° | 109.5° |
| N1 | C2 | H20 | 107.5° | 109.5° |
| N1 | C2 | H21 | 107.5° | 109.5° |
| C19 | C18 | C17 | 129.8° | 120.0° |
| C19 | C18 | H15 | 115.1° | 119.9° |
| C18 | C19 | H16 | 123.9° | 120.0° |
| C16 | C17 | C18 | 127.9° | 120.1° |
| C16 | C17 | H9 | 116.0° | 120.0° |
| C17 | C16 | H14 | 124.4° | 120.0° |
| C2 | C3 | C4 | 105.8° | 109.5° |
| C3 | C2 | H20 | 107.5° | 109.4° |
| C3 | C2 | H21 | 107.4° | 109.4° |
| C2 | C3 | H22 | 110.4° | 109.4° |
| C2 | C3 | H23 | 110.4° | 109.5° |
| C18 | C17 | H9 | 116.1° | 120.0° |
| C17 | C18 | H15 | 115.1° | 120.1° |
| C3 | C4 | C5 | 108.8° | 109.4° |
| C3 | C4 | H1 | 109.6° | 109.5° |
| C3 | C4 | H2 | 109.6° | 109.5° |
| C4 | C3 | H22 | 110.4° | 109.5° |
| C4 | C3 | H23 | 110.4° | 109.5° |
| C4 | C5 | C6 | 121.5° | 120.0° |
| C4 | C5 | C10 | 120.1° | 120.0° |
| C5 | C4 | H1 | 109.6° | 109.5° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C5 | C6 | C7 | 121.7° | 120.0° |
| C6 | C5 | C10 | 118.3° | 120.0° |
| C5 | C6 | H3 | 119.1° | 120.0° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | H3 | 119.1° | 120.0° |
| C6 | C7 | H4 | 119.6° | 120.0° |
| C5 | C10 | C9 | 119.6° | 120.0° |
| C5 | C10 | H6 | 120.2° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.0° |
| C8 | C7 | H4 | 119.6° | 120.0° |
| C7 | C8 | H5 | 120.5° | 120.0° |
| C10 | C9 | C8 | 120.4° | 119.9° |
| C9 | C10 | H6 | 120.2° | 119.9° |
| C10 | C9 | H24 | 119.8° | 120.1° |
| C9 | C8 | H5 | 120.5° | 120.0° |
| C8 | C9 | H24 | 119.8° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P1 | O5 | O3 | 125.0° | 119.9° |
| O4 | P1 | O5 | C13 | 115.0° | 120.0° |
| O4 | P1 | O3 | C13 | 120.4° | 120.0° |
| O4 | P1 | C13 | C12 | 35.5° | 54.5° |
| O4 | P1 | C13 | C14 | 178.5° | 65.4° |
| O4 | P1 | C13 | H7 | 70.8° | 174.5° |
| O4 | P1 | O3 | H17 | 0.0° | 54.7° |
| O4 | P1 | O5 | H18 | 0.0° | 60.0° |
| O5 | P1 | O3 | C13 | 116.6° | 120.0° |
| O5 | P1 | C13 | C12 | 80.9° | 174.5° |
| O5 | P1 | C13 | C14 | 65.1° | 54.6° |
| O5 | P1 | C13 | H7 | 172.8° | 65.5° |
| O5 | P1 | O3 | H17 | 123.0° | 174.7° |
| O3 | P1 | C13 | C12 | 159.1° | 65.5° |
| O3 | P1 | C13 | C14 | 54.9° | 174.6° |
| O3 | P1 | C13 | H7 | 52.7° | 54.5° |
| O3 | P1 | O5 | H18 | 125.0° | 180.0° |
| P1 | C13 | C12 | C14 | 147.3° | 120.0° |
| P1 | C13 | C12 | H7 | 105.4° | 120.0° |
| P1 | C13 | C12 | C11 | 169.4° | 174.4° |
| P1 | C13 | C14 | H7 | 106.8° | 120.0° |
| P1 | C13 | C14 | C15 | 90.1° | 105.0° |
| P1 | C13 | C14 | C19 | 85.7° | 75.0° |
| P1 | C13 | C12 | H12 | 48.2° | 54.4° |
| P1 | C13 | C12 | H13 | 69.3° | 65.5° |
| C13 | P1 | O3 | H17 | 120.4° | 65.3° |
| C13 | P1 | O5 | H18 | 115.0° | 60.0° |
| C13 | C12 | C11 | H12 | 121.2° | 119.9° |
| C13 | C12 | C11 | H13 | 121.2° | 120.0° |
| C12 | C13 | C14 | H7 | 107.4° | 120.0° |
| C13 | C12 | C11 | C1 | 62.0° | 177.4° |
| C12 | C13 | C14 | C15 | 55.8° | 135.0° |
| C12 | C13 | C14 | C19 | 128.5° | 45.0° |
| C13 | C12 | C11 | H10 | 177.7° | 62.5° |
| C13 | C12 | C11 | H11 | 58.2° | 57.5° |
| C13 | C12 | H12 | H13 | 116.2° | 120.0° |
| C11 | C12 | C13 | C14 | 43.3° | 65.6° |
| C12 | C11 | C1 | O1 | 58.5° | 0.1° |
| C12 | C11 | C1 | H10 | 120.2° | 120.1° |
| C12 | C11 | C1 | H11 | 120.2° | 119.9° |
| C12 | C11 | C1 | N1 | 122.3° | 180.0° |
| C11 | C12 | C13 | H7 | 64.1° | 54.4° |
| C12 | C11 | H10 | H11 | 119.3° | 120.0° |
| C11 | C12 | H12 | H13 | 116.2° | 120.0° |
| C13 | C14 | C15 | C19 | 176.1° | 180.0° |
| C13 | C14 | C15 | C16 | 173.9° | 180.0° |
| C13 | C14 | C19 | C18 | 176.1° | 180.0° |
| C13 | C14 | C15 | H8 | 6.1° | 0.3° |
| C14 | C13 | C12 | H12 | 164.5° | 174.4° |
| C14 | C13 | C12 | H13 | 77.9° | 54.4° |
| C13 | C14 | C19 | H16 | 3.9° | 0.1° |
| O1 | C1 | C11 | N1 | 179.2° | 179.9° |
| O1 | C1 | N1 | O2 | 4.5° | 180.0° |
| O1 | C1 | N1 | C2 | 177.1° | 0.2° |
| O1 | C1 | C11 | H10 | 61.7° | 120.0° |
| O1 | C1 | C11 | H11 | 178.7° | 120.0° |
| C11 | C1 | N1 | O2 | 174.7° | 0.1° |
| C11 | C1 | N1 | C2 | 3.8° | 179.7° |
| C1 | C11 | H10 | H11 | 119.4° | 120.0° |
| C1 | C11 | C12 | H12 | 59.2° | 62.6° |
| C1 | C11 | C12 | H13 | 176.8° | 57.4° |
| C1 | N1 | O2 | C2 | 178.6° | 179.7° |
| C1 | N1 | C2 | C3 | 105.5° | 75.2° |
| N1 | C1 | C11 | H10 | 117.5° | 59.9° |
| N1 | C1 | C11 | H11 | 2.1° | 60.1° |
| C1 | N1 | O2 | H19 | 2.1° | 0.3° |
| C1 | N1 | C2 | H20 | 15.6° | 164.8° |
| C1 | N1 | C2 | H21 | 133.4° | 44.7° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C15 | C14 | C19 | C18 | 0.4° | 0.0° |
| C14 | C15 | C16 | C17 | 3.6° | 0.3° |
| C15 | C14 | C13 | H7 | 163.1° | 15.0° |
| C14 | C15 | C16 | H14 | 176.4° | 179.7° |
| C15 | C14 | C19 | H16 | 179.6° | 179.9° |
| C19 | C14 | C15 | C16 | 2.2° | 0.0° |
| C14 | C19 | C18 | H16 | 180.0° | 179.9° |
| C14 | C19 | C18 | C17 | 1.7° | 0.2° |
| C19 | C14 | C13 | H7 | 21.1° | 165.0° |
| C19 | C14 | C15 | H8 | 177.8° | 179.7° |
| C14 | C19 | C18 | H15 | 178.3° | 179.7° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.7° | 0.5° |
| C15 | C16 | C17 | H9 | 177.3° | 180.0° |
| O2 | N1 | C2 | C3 | 72.9° | 105.0° |
| O2 | N1 | C2 | H20 | 166.0° | 15.0° |
| O2 | N1 | C2 | H21 | 48.2° | 135.0° |
| N1 | C2 | C3 | H20 | 121.1° | 120.0° |
| N1 | C2 | C3 | H21 | 121.1° | 120.0° |
| N1 | C2 | C3 | C4 | 176.5° | 180.0° |
| C2 | N1 | O2 | H19 | 179.3° | 180.0° |
| N1 | C2 | H20 | H21 | 116.5° | 120.1° |
| N1 | C2 | C3 | H22 | 57.1° | 60.0° |
| N1 | C2 | C3 | H23 | 64.0° | 59.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.5° |
| C19 | C18 | C17 | H15 | 180.0° | 179.9° |
| C19 | C18 | C17 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | H9 | 180.0° | 179.5° |
| C17 | C16 | C15 | H8 | 176.4° | 180.0° |
| C16 | C17 | C18 | H15 | 179.9° | 179.4° |
| C2 | C3 | C4 | H22 | 119.4° | 120.0° |
| C2 | C3 | C4 | H23 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 70.9° | 180.0° |
| C2 | C3 | C4 | H1 | 169.2° | 60.0° |
| C2 | C3 | C4 | H2 | 49.0° | 60.0° |
| C3 | C2 | H20 | H21 | 116.4° | 119.9° |
| C2 | C3 | H22 | H23 | 121.7° | 120.0° |
| C18 | C17 | C16 | H14 | 177.2° | 179.5° |
| C17 | C18 | C19 | H16 | 178.3° | 179.7° |
| C3 | C4 | C5 | H1 | 119.9° | 120.0° |
| C3 | C4 | C5 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | C6 | 102.4° | 89.8° |
| C3 | C4 | C5 | C10 | 73.1° | 90.0° |
| C3 | C4 | H1 | H2 | 120.3° | 120.0° |
| C4 | C3 | C2 | H20 | 62.3° | 60.0° |
| C4 | C3 | C2 | H21 | 55.4° | 60.0° |
| C4 | C3 | H22 | H23 | 121.7° | 120.0° |
| C4 | C5 | C6 | C10 | 175.6° | 179.8° |
| C4 | C5 | C6 | C7 | 176.3° | 180.0° |
| C4 | C5 | C10 | C9 | 177.9° | 179.8° |
| C5 | C4 | H1 | H2 | 120.3° | 120.0° |
| C4 | C5 | C6 | H3 | 3.7° | 0.0° |
| C4 | C5 | C10 | H6 | 2.1° | 0.1° |
| C5 | C4 | C3 | H22 | 48.5° | 60.0° |
| C5 | C4 | C3 | H23 | 169.7° | 60.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C10 | C9 | 2.2° | 0.4° |
| C6 | C5 | C4 | H1 | 137.7° | 30.2° |
| C6 | C5 | C4 | H2 | 17.5° | 150.2° |
| C5 | C6 | C7 | H4 | 179.8° | 180.0° |
| C6 | C5 | C10 | H6 | 177.8° | 179.7° |
| C7 | C6 | C5 | C10 | 0.7° | 0.2° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.1° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C5 | C10 | C9 | H6 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 2.8° | 0.4° |
| C10 | C5 | C4 | H1 | 46.8° | 150.0° |
| C10 | C5 | C4 | H2 | 167.0° | 29.9° |
| C10 | C5 | C6 | H3 | 179.3° | 179.8° |
| C5 | C10 | C9 | H24 | 177.1° | 179.8° |
| C7 | C8 | C9 | C10 | 1.9° | 0.1° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 179.8° | 180.0° |
| C7 | C8 | C9 | H24 | 178.1° | 180.0° |
| C10 | C9 | C8 | H24 | 180.0° | 179.8° |
| C10 | C9 | C8 | H5 | 178.1° | 179.8° |
| C9 | C8 | C7 | H4 | 179.6° | 180.0° |
| C8 | C9 | C10 | H6 | 177.2° | 179.8° |
| H1 | C4 | C3 | H22 | 71.3° | 180.0° |
| H1 | C4 | C3 | H23 | 49.8° | 60.0° |
| H2 | C4 | C3 | H22 | 168.4° | 60.0° |
| H2 | C4 | C3 | H23 | 70.5° | 180.0° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H4 | C7 | C8 | H5 | 0.4° | 0.0° |
| H5 | C8 | C9 | H24 | 1.9° | 0.0° |
| H6 | C10 | C9 | H24 | 2.9° | 0.1° |
| H7 | C13 | C12 | H12 | 57.1° | 65.6° |
| H7 | C13 | C12 | H13 | 174.7° | 174.4° |
| H8 | C15 | C16 | H14 | 3.6° | 0.0° |
| H9 | C17 | C16 | H14 | 2.8° | 0.0° |
| H9 | C17 | C18 | H15 | 0.1° | 0.1° |
| H10 | C11 | C12 | H12 | 61.1° | 57.4° |
| H10 | C11 | C12 | H13 | 56.5° | 177.5° |
| H11 | C11 | C12 | H12 | 179.4° | 177.4° |
| H11 | C11 | C12 | H13 | 63.0° | 62.6° |
| H15 | C18 | C19 | H16 | 1.7° | 0.4° |
| H20 | C2 | C3 | H22 | 178.2° | 60.0° |
| H20 | C2 | C3 | H23 | 57.1° | 180.0° |
| H21 | C2 | C3 | H22 | 64.0° | 180.0° |
| H21 | C2 | C3 | H23 | 174.8° | 60.1° |
