A1L9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P1 | doub | 1.48Å | 1.53Å | |
| O3 | P1 | sing | 1.61Å | 1.54Å | |
| P1 | O4 | sing | 1.61Å | 1.50Å | |
| P1 | C7 | sing | 1.82Å | 1.83Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| O2 | C10 | doub | 1.21Å | 1.21Å | |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| O6 | C13 | doub | 1.22Å | 1.25Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.49Å | |
| N1 | O1 | sing | 1.42Å | 1.40Å | |
| N1 | C11 | sing | 1.46Å | 1.49Å | |
| C13 | N2 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| N2 | C12 | sing | 1.46Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P1 | O3 | 109.9° | 109.5° |
| O5 | P1 | O4 | 111.1° | 109.5° |
| O5 | P1 | C7 | 108.2° | 109.5° |
| O3 | P1 | O4 | 111.4° | 109.5° |
| O3 | P1 | C7 | 109.5° | 109.5° |
| P1 | O3 | H9 | 109.5° | 114.0° |
| O4 | P1 | C7 | 106.7° | 109.5° |
| P1 | O4 | H10 | 109.5° | 114.0° |
| P1 | C7 | C8 | 112.8° | 109.5° |
| P1 | C7 | C1 | 113.6° | 109.5° |
| P1 | C7 | H4 | 104.4° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.5° |
| C8 | C7 | C1 | 111.1° | 109.4° |
| C8 | C7 | H4 | 107.0° | 109.4° |
| C7 | C8 | H5 | 108.8° | 109.5° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C9 | C8 | H5 | 108.8° | 109.4° |
| C9 | C8 | H6 | 108.8° | 109.4° |
| C8 | C9 | H13 | 108.7° | 109.4° |
| C8 | C9 | H14 | 108.7° | 109.4° |
| O2 | C10 | C9 | 115.1° | 120.0° |
| O2 | C10 | N1 | 121.5° | 120.0° |
| C7 | C1 | C2 | 118.2° | 120.0° |
| C7 | C1 | C6 | 119.2° | 120.0° |
| C1 | C7 | H4 | 107.5° | 109.5° |
| C9 | C10 | N1 | 123.4° | 120.0° |
| C10 | C9 | H13 | 108.7° | 109.5° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C10 | N1 | O1 | 117.5° | 120.0° |
| C10 | N1 | C11 | 125.1° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.1° |
| C18 | C17 | C16 | 121.6° | 120.3° |
| C18 | C17 | H8 | 119.2° | 119.8° |
| C17 | C18 | H22 | 119.6° | 120.0° |
| C18 | C19 | C14 | 117.9° | 119.9° |
| C19 | C18 | H22 | 119.6° | 119.9° |
| C18 | C19 | H23 | 121.1° | 120.1° |
| C17 | C16 | C15 | 118.3° | 120.1° |
| C16 | C17 | H8 | 119.2° | 119.9° |
| C17 | C16 | H21 | 120.8° | 119.9° |
| C2 | C1 | C6 | 122.4° | 120.0° |
| C1 | C2 | C3 | 117.7° | 119.9° |
| C1 | C2 | H11 | 121.2° | 120.0° |
| C1 | C6 | C5 | 119.0° | 120.0° |
| C1 | C6 | H3 | 120.5° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C3 | C2 | H11 | 121.2° | 120.1° |
| C2 | C3 | H12 | 119.5° | 119.9° |
| C19 | C14 | C15 | 121.8° | 119.7° |
| C19 | C14 | C13 | 117.8° | 120.2° |
| C14 | C19 | H23 | 121.1° | 120.0° |
| C16 | C15 | C14 | 119.7° | 119.9° |
| C16 | C15 | H7 | 120.2° | 120.1° |
| C15 | C16 | H21 | 120.8° | 119.9° |
| O6 | C13 | C14 | 122.6° | 120.0° |
| O6 | C13 | N2 | 123.0° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.1° |
| C14 | C15 | H7 | 120.2° | 120.1° |
| C14 | C13 | N2 | 114.0° | 120.0° |
| O1 | N1 | C11 | 117.4° | 120.0° |
| N1 | O1 | H15 | 109.5° | 114.0° |
| N1 | C11 | C12 | 111.6° | 109.4° |
| N1 | C11 | H16 | 108.9° | 109.5° |
| N1 | C11 | H17 | 108.9° | 109.5° |
| C13 | N2 | C12 | 125.9° | 120.0° |
| C13 | N2 | H20 | 117.1° | 120.0° |
| C6 | C5 | C4 | 118.8° | 120.0° |
| C6 | C5 | H2 | 120.6° | 120.0° |
| C5 | C6 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| C4 | C3 | H12 | 119.5° | 120.0° |
| N2 | C12 | C11 | 113.5° | 109.5° |
| N2 | C12 | H18 | 108.5° | 109.4° |
| N2 | C12 | H19 | 108.5° | 109.5° |
| C12 | N2 | H20 | 117.0° | 120.0° |
| C12 | C11 | H16 | 108.9° | 109.4° |
| C12 | C11 | H17 | 109.0° | 109.5° |
| C11 | C12 | H18 | 108.5° | 109.5° |
| C11 | C12 | H19 | 108.4° | 109.5° |
| C5 | C4 | H1 | 119.6° | 120.1° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P1 | O3 | O4 | 123.6° | 120.0° |
| O5 | P1 | O3 | C7 | 118.7° | 120.0° |
| O5 | P1 | O4 | C7 | 117.7° | 120.0° |
| O5 | P1 | C7 | C8 | 49.6° | 60.0° |
| O5 | P1 | C7 | C1 | 177.1° | 180.0° |
| O5 | P1 | C7 | H4 | 66.2° | 60.0° |
| O5 | P1 | O3 | H9 | 0.0° | 60.0° |
| O5 | P1 | O4 | H10 | 0.0° | 180.0° |
| O3 | P1 | O4 | C7 | 119.4° | 120.0° |
| O3 | P1 | C7 | C8 | 70.1° | 60.0° |
| O3 | P1 | C7 | C1 | 57.4° | 60.0° |
| O3 | P1 | C7 | H4 | 174.1° | 180.0° |
| O3 | P1 | O4 | H10 | 122.9° | 60.0° |
| O4 | P1 | C7 | C8 | 169.2° | 180.0° |
| O4 | P1 | C7 | C1 | 63.3° | 60.0° |
| O4 | P1 | C7 | H4 | 53.4° | 60.0° |
| O4 | P1 | O3 | H9 | 123.6° | 60.1° |
| P1 | C7 | C8 | C1 | 128.8° | 120.0° |
| P1 | C7 | C8 | H4 | 114.2° | 120.0° |
| P1 | C7 | C8 | C9 | 170.0° | 60.0° |
| P1 | C7 | C1 | H4 | 114.9° | 120.1° |
| P1 | C7 | C1 | C2 | 83.0° | 105.0° |
| P1 | C7 | C1 | C6 | 100.4° | 75.0° |
| P1 | C7 | C8 | H5 | 49.6° | 59.9° |
| P1 | C7 | C8 | H6 | 69.6° | 180.0° |
| C7 | P1 | O3 | H9 | 118.7° | 179.9° |
| C7 | P1 | O4 | H10 | 117.7° | 60.0° |
| C7 | C8 | C9 | H5 | 120.4° | 120.0° |
| C7 | C8 | C9 | H6 | 120.4° | 120.0° |
| C8 | C7 | C1 | H4 | 116.8° | 120.0° |
| C7 | C8 | C9 | C10 | 53.9° | 180.0° |
| C8 | C7 | C1 | C2 | 45.4° | 135.0° |
| C8 | C7 | C1 | C6 | 131.2° | 45.0° |
| C7 | C8 | H5 | H6 | 118.7° | 120.1° |
| C7 | C8 | C9 | H13 | 174.4° | 60.0° |
| C7 | C8 | C9 | H14 | 66.6° | 60.0° |
| C8 | C9 | C10 | O2 | 49.4° | 0.0° |
| C9 | C8 | C7 | C1 | 61.2° | 180.0° |
| C8 | C9 | C10 | H13 | 120.5° | 120.0° |
| C8 | C9 | C10 | H14 | 120.5° | 120.0° |
| C8 | C9 | C10 | N1 | 130.8° | 180.0° |
| C9 | C8 | C7 | H4 | 55.8° | 60.0° |
| C9 | C8 | H5 | H6 | 118.7° | 120.0° |
| C8 | C9 | H13 | H14 | 118.5° | 120.0° |
| O2 | C10 | C9 | N1 | 179.8° | 180.0° |
| O2 | C10 | N1 | O1 | 0.4° | 180.0° |
| O2 | C10 | N1 | C11 | 177.6° | 0.3° |
| O2 | C10 | C9 | H13 | 71.1° | 119.9° |
| O2 | C10 | C9 | H14 | 169.9° | 120.0° |
| C7 | C1 | C2 | C6 | 176.5° | 179.9° |
| C7 | C1 | C2 | C3 | 178.8° | 179.7° |
| C7 | C1 | C6 | C5 | 178.7° | 180.0° |
| C7 | C1 | C6 | H3 | 1.3° | 0.1° |
| C1 | C7 | C8 | H5 | 178.4° | 60.0° |
| C1 | C7 | C8 | H6 | 59.2° | 60.0° |
| C7 | C1 | C2 | H11 | 1.2° | 0.0° |
| C9 | C10 | N1 | O1 | 179.8° | 0.0° |
| C9 | C10 | N1 | C11 | 2.2° | 179.7° |
| C10 | C9 | C8 | H5 | 66.5° | 60.0° |
| C10 | C9 | C8 | H6 | 174.3° | 60.0° |
| C10 | C9 | H13 | H14 | 118.5° | 120.1° |
| C10 | N1 | O1 | C11 | 178.1° | 179.7° |
| C10 | N1 | C11 | C12 | 78.8° | 75.3° |
| N1 | C10 | C9 | H13 | 108.7° | 60.0° |
| N1 | C10 | C9 | H14 | 10.3° | 60.0° |
| C10 | N1 | O1 | H15 | 0.2° | 0.2° |
| C10 | N1 | C11 | H16 | 41.5° | 164.7° |
| C10 | N1 | C11 | H17 | 160.8° | 44.7° |
| C17 | C18 | C19 | H22 | 180.0° | 179.8° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 1.2° | 0.2° |
| C18 | C17 | C16 | C15 | 2.8° | 0.0° |
| C18 | C17 | C16 | H21 | 177.2° | 180.0° |
| C17 | C18 | C19 | H23 | 178.8° | 180.0° |
| C19 | C18 | C17 | C16 | 2.0° | 0.3° |
| C18 | C19 | C14 | H23 | 180.0° | 179.8° |
| C18 | C19 | C14 | C15 | 1.3° | 0.1° |
| C18 | C19 | C14 | C13 | 177.6° | 180.0° |
| C19 | C18 | C17 | H8 | 178.0° | 179.8° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.8° | 0.3° |
| C17 | C16 | C15 | H7 | 177.2° | 179.9° |
| C16 | C17 | C18 | H22 | 178.0° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 2.2° | 0.1° |
| C1 | C2 | C3 | C4 | 7.3° | 0.5° |
| C2 | C1 | C6 | H3 | 177.8° | 180.0° |
| C2 | C1 | C7 | H4 | 162.1° | 15.0° |
| C1 | C2 | C3 | H12 | 172.7° | 180.0° |
| C6 | C1 | C2 | C3 | 4.8° | 0.2° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 2.0° | 0.1° |
| C1 | C6 | C5 | H2 | 178.0° | 179.9° |
| C6 | C1 | C7 | H4 | 14.5° | 164.9° |
| C6 | C1 | C2 | H11 | 175.3° | 179.9° |
| C2 | C3 | C4 | H12 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 7.4° | 0.5° |
| C2 | C3 | C4 | H1 | 172.6° | 179.7° |
| C19 | C14 | C15 | C16 | 2.2° | 0.3° |
| C19 | C14 | C13 | O6 | 13.8° | 179.9° |
| C19 | C14 | C15 | C13 | 176.3° | 179.9° |
| C19 | C14 | C13 | N2 | 172.9° | 0.1° |
| C19 | C14 | C15 | H7 | 177.9° | 180.0° |
| C14 | C19 | C18 | H22 | 178.8° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 178.4° | 179.8° |
| C15 | C16 | C17 | H8 | 177.2° | 180.0° |
| O6 | C13 | C14 | C15 | 162.6° | 0.0° |
| O6 | C13 | C14 | N2 | 173.4° | 180.0° |
| O6 | C13 | N2 | C12 | 4.9° | 0.1° |
| O6 | C13 | N2 | H20 | 175.1° | 180.0° |
| C15 | C14 | C13 | N2 | 10.7° | 180.0° |
| C14 | C15 | C16 | H21 | 177.2° | 179.7° |
| C15 | C14 | C19 | H23 | 178.7° | 179.7° |
| C14 | C13 | N2 | C12 | 178.3° | 180.0° |
| C13 | C14 | C15 | H7 | 1.6° | 0.1° |
| C14 | C13 | N2 | H20 | 1.7° | 0.1° |
| C13 | C14 | C19 | H23 | 2.4° | 0.2° |
| O1 | N1 | C11 | C12 | 99.1° | 105.0° |
| O1 | N1 | C11 | H16 | 140.5° | 15.0° |
| O1 | N1 | C11 | H17 | 21.2° | 135.0° |
| N1 | C11 | C12 | N2 | 31.8° | 180.0° |
| N1 | C11 | C12 | H16 | 120.3° | 120.0° |
| N1 | C11 | C12 | H17 | 120.3° | 120.1° |
| C11 | N1 | O1 | H15 | 177.9° | 180.0° |
| N1 | C11 | H16 | H17 | 119.0° | 120.0° |
| N1 | C11 | C12 | H18 | 152.4° | 60.0° |
| N1 | C11 | C12 | H19 | 88.8° | 59.9° |
| C13 | N2 | C12 | H20 | 180.0° | 179.9° |
| C13 | N2 | C12 | C11 | 138.8° | 180.0° |
| C13 | N2 | C12 | H18 | 100.6° | 60.0° |
| C13 | N2 | C12 | H19 | 18.2° | 59.9° |
| C6 | C5 | C4 | C3 | 4.6° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 175.4° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 175.4° | 179.8° |
| C4 | C3 | C2 | H11 | 172.7° | 179.8° |
| N2 | C12 | C11 | H18 | 120.6° | 119.9° |
| N2 | C12 | C11 | H19 | 120.6° | 120.1° |
| N2 | C12 | C11 | H16 | 152.1° | 60.0° |
| N2 | C12 | C11 | H17 | 88.5° | 59.9° |
| N2 | C12 | H18 | H19 | 118.2° | 120.0° |
| C12 | C11 | H16 | H17 | 119.1° | 120.0° |
| C11 | C12 | H18 | H19 | 118.2° | 120.0° |
| C11 | C12 | N2 | H20 | 41.2° | 0.1° |
| C4 | C5 | C6 | H3 | 178.0° | 180.0° |
| C5 | C4 | C3 | H12 | 172.6° | 180.0° |
| H1 | C4 | C5 | H2 | 4.6° | 0.1° |
| H1 | C4 | C3 | H12 | 7.4° | 0.2° |
| H2 | C5 | C6 | H3 | 2.0° | 0.0° |
| H4 | C7 | C8 | H5 | 64.6° | 180.0° |
| H4 | C7 | C8 | H6 | 176.2° | 59.9° |
| H5 | C8 | C9 | H13 | 54.0° | 180.0° |
| H5 | C8 | C9 | H14 | 173.0° | 60.0° |
| H6 | C8 | C9 | H13 | 65.2° | 60.0° |
| H6 | C8 | C9 | H14 | 53.8° | 180.0° |
| H7 | C15 | C16 | H21 | 2.8° | 0.0° |
| H8 | C17 | C16 | H21 | 2.8° | 0.0° |
| H8 | C17 | C18 | H22 | 2.0° | 0.0° |
| H11 | C2 | C3 | H12 | 7.2° | 0.3° |
| H16 | C11 | C12 | H18 | 87.3° | 180.0° |
| H16 | C11 | C12 | H19 | 31.5° | 60.1° |
| H17 | C11 | C12 | H18 | 32.0° | 60.0° |
| H17 | C11 | C12 | H19 | 150.9° | 180.0° |
| H18 | C12 | N2 | H20 | 79.4° | 120.1° |
| H19 | C12 | N2 | H20 | 161.8° | 120.0° |
| H22 | C18 | C19 | H23 | 1.1° | 0.2° |
